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Reference structure matches:
A1--Cu--fcc = oqmd-1214512
A15--beta-W = oqmd-1214957
A2--W--bcc = oqmd-1215135
A3'--alpha-La--double-hcp = oqmd-1215403
A3--Mg--hcp = oqmd-1215313
A4--C--dc = mp-66, oqmd-675640
A5--beta-Sn = oqmd-1215581
A6--In--bct = mp-1181996, oqmd-1215670
A7--alpha-As = mp-169, oqmd-594528
Ah--alpha-Po--sc = mp-998866, oqmd-636457, oqmd-1214601
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
mp-1194362 | dynamic | -14.7918 | -14.7918 | 8.5692 | 5.6989 | 9.1483 | 90.0 | 99.5 | 90.0 |
A4--C--dc | dynamic | -12.6434 | -12.6434 | 3.1236 | 3.1236 | 3.1236 | 90.0 | 90.0 | 90.0 |
mp-569567 | dynamic | -12.3798 | -12.3798 | 2.2106 | 2.2106 | 37.7217 | 90.0 | 90.0 | 120.0 |
mp-611448 | dynamic | -12.3356 | -12.3356 | 2.2109 | 2.2109 | 10.7708 | 90.0 | 90.0 | 120.0 |
mp-569517 | dynamic | -12.2741 | -12.2741 | 2.2113 | 2.2113 | 26.8891 | 90.0 | 90.0 | 120.0 |
mp-611426 | static | -12.182 | -12.182 | 2.2121 | 2.2121 | 7.1555 | 90.0 | 90.0 | 120.0 |
oqmd-599489 | box | -11.7187 | -11.7187 | 2.2115 | 2.2115 | 3.5692 | 90.0 | 90.0 | 120.0 |
A6--In--bct | dynamic | -11.6803 | -11.6803 | 1.3286 | 1.3286 | 4.1123 | 90.0 | 90.0 | 90.0 |
mp-1078845 | box | -11.4347 | -11.4347 | 3.5795 | 7.7088 | 2.2187 | 90.0 | 90.0 | 90.0 |
oqmd-637353 | box | -11.2673 | -11.2673 | 3.6948 | 3.6948 | 2.2372 | 90.0 | 90.0 | 90.0 |
mp-1008395 | box | -11.2671 | -11.2671 | 3.6949 | 3.6949 | 2.2371 | 90.0 | 90.0 | 90.0 |
mp-1196583 | dynamic | -11.2653 | -11.2653 | 14.3968 | 14.3968 | 14.3968 | 90.0 | 90.0 | 90.0 |
A15--beta-W | dynamic | -10.6231 | -10.6231 | 3.2156 | 3.2156 | 3.2156 | 90.0 | 90.0 | 90.0 |
mp-1205283 | dynamic | -10.4907 | -10.4907 | 7.1122 | 12.1113 | 5.7929 | 90.0 | 90.0 | 90.0 |
A3'--alpha-La--double-hcp | static | -10.4501 | -10.4501 | 2.495 | 2.495 | 3.1702 | 90.0 | 90.0 | 120.0 |
A1--Cu--fcc | dynamic | -10.1102 | -10.1102 | 2.5814 | 2.5814 | 2.5814 | 90.0 | 90.0 | 90.0 |
mp-570002 | static | -9.8658 | -9.8658 | 4.0533 | 4.0533 | 4.0533 | 90.0 | 90.0 | 90.0 |
oqmd-585286 | static | -9.8658 | -9.8658 | 4.0533 | 4.0533 | 4.0533 | 90.0 | 90.0 | 90.0 |
A2--W--bcc | static | -9.8638 | -9.8638 | 2.0413 | 2.0413 | 2.0413 | 90.0 | 90.0 | 90.0 |
mp-24 | static | -9.7675 | -9.7675 | 4.1378 | 4.1378 | 4.1378 | 90.0 | 90.0 | 90.0 |
mp-24 | box | -9.7466 | -9.7466 | 4.1062 | 4.1062 | 4.1062 | 90.0 | 90.0 | 90.0 |
Ah--alpha-Po--sc | static | -9.405 | -9.405 | 1.6721 | 1.6721 | 1.6721 | 90.0 | 90.0 | 90.0 |
A7--alpha-As | box | -9.103 | -9.103 | 2.2688 | 2.2688 | 6.3046 | 90.0 | 90.0 | 120.0 |
A3--Mg--hcp | box | -7.2031 | -7.2031 | 2.1657 | 2.1657 | 2.3041 | 90.0 | 90.0 | 120.0 |
A6--In--bct | dynamic | -5.9767 | -5.9767 | 1.3513 | 1.3513 | 6.3803 | 90.0 | 90.0 | 90.0 |
mp-1097832 | dynamic | -5.9767 | -5.9767 | 1.911 | 1.911 | 9.8799 | 90.0 | 90.0 | 90.0 |
oqmd-637352 | box | -5.0565 | -5.0565 | 9.4269 | 1.7497 | 6.9895 | 90.0 | 116.7 | 90.0 |
mp-667273 | box | -4.626 | -4.626 | 12.7948 | 12.7948 | 12.7948 | 90.0 | 90.0 | 90.0 |
mp-1196583 | box | -4.5508 | -4.5508 | 13.1354 | 13.1354 | 13.1354 | 90.0 | 90.0 | 90.0 |
mp-1244964 | box | -3.959 | -3.959 | 9.5573 | 10.28 | 10.4077 | 89.7 | 83.8 | 84.7 |
mp-1244913 | box | -3.6208 | -3.6208 | 9.9282 | 10.3275 | 11.256 | 100.1 | 95.3 | 93.3 |
oqmd-1214779 | box | -3.5553 | -3.5553 | 8.4943 | 8.4943 | 8.4943 | 90.0 | 90.0 | 90.0 |
mp-1192619 | box | -3.5111 | -3.5111 | 8.8894 | 8.8894 | 8.8894 | 90.0 | 90.0 | 90.0 |
mp-1205417 | box | -3.1443 | -3.1443 | 12.6274 | 12.6274 | 7.3089 | 90.0 | 90.0 | 90.0 |
mp-1182692 | box | -2.9364 | -2.9364 | 7.8084 | 10.0968 | 24.8585 | 97.4 | 95.3 | 111.6 |
mp-1197903 | box | -2.8863 | -2.8863 | 7.7279 | 8.8425 | 24.1475 | 92.5 | 95.3 | 104.2 |
mp-1182684 | box | -2.7908 | -2.7908 | 10.8196 | 11.4898 | 15.3961 | 90.0 | 90.1 | 90.0 |
mp-1194362 | box | -2.6621 | -2.6621 | 11.518 | 3.7963 | 14.8746 | 90.0 | 106.8 | 90.0 |
mp-1182029 | dynamic | -2.5874 | -2.5874 | 1.3754 | 3.339 | 3.4352 | 90.0 | 98.0 | 90.0 |
mp-1182029 | static | -2.5874 | -2.5874 | 1.3754 | 3.3388 | 3.4306 | 90.0 | 97.5 | 90.0 |
oqmd-1215848 | static | -2.5874 | -2.5874 | 3.4043 | 3.4043 | 1.3754 | 90.0 | 90.0 | 120.0 |
oqmd-1215046 | static | -2.5874 | -2.5874 | 1.3754 | 3.4436 | 5.8149 | 89.9 | 89.1 | 89.5 |
oqmd-1215046 | dynamic | -2.5874 | -2.5874 | 1.3754 | 3.4438 | 5.8142 | 89.9 | 90.0 | 89.5 |
A3--Mg--hcp | static | -1.5708 | -1.5708 | 2.459 | 2.459 | 4.0048 | 90.0 | 90.0 | 120.0 |
A3'--alpha-La--double-hcp | box | -1.5688 | -1.5688 | 2.4583 | 2.4583 | 8.0181 | 90.0 | 90.0 | 120.0 |
A1--Cu--fcc | dynamic | -1.5669 | -1.5669 | 3.4755 | 3.4755 | 3.4755 | 90.0 | 90.0 | 90.0 |
A1--Cu--fcc | box | -1.5491 | -1.5491 | 3.3644 | 3.3644 | 3.3644 | 90.0 | 90.0 | 90.0 |
Ah--alpha-Po--sc | static | -0.4466 | -0.4466 | 2.576 | 2.576 | 2.576 | 90.0 | 90.0 | 90.0 |
oqmd-677227 | box | -0.1916 | -0.1916 | 25.53 | 25.53 | 25.53 | 90.0 | 90.0 | 90.0 |
oqmd-1214868 | box | -0.1043 | -0.1043 | 10.7358 | 10.7358 | 10.7358 | 90.0 | 90.0 | 90.0 |
mp-667273 | dynamic | -0.0 | -0.0 | 107.7154 | 107.7154 | 107.7154 | 90.0 | 90.0 | 90.0 |
mp-570002 | box | -0.0 | -0.0 | 10.9973 | 10.9973 | 10.9973 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | box | -5.0494 | -5.0494 | 4.9897 | 4.9897 | 4.9897 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
L2_1--AlCu2Mn--heusler | static | -5.1803 | -5.1803 | 5.8497 | 5.8497 | 5.8497 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | box | -4.8524 | -4.8524 | 5.4797 | 5.4797 | 5.4797 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
D0_3--BiF3 | static | -6.2829 | -6.2829 | 4.5288 | 4.5288 | 4.5288 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | box | -5.8956 | -5.8956 | 2.9664 | 2.9664 | 2.9664 | 90.0 | 90.0 | 90.0 |
A15--Cr3Si | static | -4.313 | -4.313 | 4.0299 | 4.0299 | 4.0299 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
L1_2--AuCu3 | static | -4.0402 | -4.0402 | 3.1506 | 3.1506 | 3.1506 | 90.0 | 90.0 | 90.0 |
A15--Cr3Si | static | -3.9868 | -3.9868 | 4.2633 | 4.2633 | 4.2633 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | static | -3.5722 | -3.5722 | 3.7442 | 3.7442 | 3.7442 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | static | -3.1946 | -3.1946 | 5.6436 | 5.6436 | 5.6436 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | dynamic | -2.9636 | -2.9636 | 4.6579 | 4.6579 | 4.6579 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | dynamic | -0.0 | -0.0 | 12.7941 | 12.7941 | 12.7941 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
B3--ZnS--cubic-zinc-blende | box | -7.3918 | -7.3918 | 4.2256 | 4.2256 | 4.2256 | 90.0 | 90.0 | 90.0 |
B1--NaCl--rock-salt | dynamic | -7.0811 | -7.0811 | 4.1019 | 4.1019 | 4.1019 | 90.0 | 90.0 | 90.0 |
L1_0--AuCu | static | -6.2317 | -6.2317 | 2.2148 | 2.2148 | 3.1606 | 90.0 | 90.0 | 90.0 |
B2--CsCl | static | -5.7471 | -5.7471 | 2.5803 | 2.5803 | 2.5803 | 90.0 | 90.0 | 90.0 |
B2--CsCl | static | -4.8544 | -4.8544 | 2.9802 | 2.9802 | 2.9802 | 90.0 | 90.0 | 90.0 |
L1_0--AuCu | box | -4.4397 | -4.4397 | 1.8069 | 1.8069 | 3.9376 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | dynamic | -7.4601 | -7.4601 | 5.1103 | 5.1103 | 5.1103 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
L2_1--AlCu2Mn--heusler | static | -7.2343 | -7.2343 | 6.2711 | 6.2711 | 6.2711 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
D0_3--BiF3 | dynamic | -7.1076 | -7.1076 | 6.1681 | 6.1681 | 6.1681 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | static | -6.8409 | -6.8409 | 3.6896 | 3.6896 | 3.6896 | 90.0 | 90.0 | 90.0 |
A15--Cr3Si | box | -6.5434 | -6.5434 | 4.9715 | 4.9715 | 4.9715 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
L2_1--AlCu2Mn--heusler | dynamic | -7.9971 | -7.9971 | 6.6931 | 6.6931 | 6.6931 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
B1--NaCl--rock-salt | box | -7.8982 | -7.8982 | 4.7659 | 4.7659 | 4.7659 | 90.0 | 90.0 | 90.0 |
B3--ZnS--cubic-zinc-blende | box | -7.4278 | -7.4278 | 4.8978 | 4.8978 | 4.8978 | 90.0 | 90.0 | 90.0 |
B2--CsCl | dynamic | -6.4118 | -6.4118 | 3.3616 | 3.3616 | 3.3616 | 90.0 | 90.0 | 90.0 |
L1_0--AuCu | box | -5.9662 | -5.9662 | 2.8859 | 2.8859 | 4.2135 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | static | -7.5733 | -7.5733 | 5.402 | 5.402 | 5.402 | 90.0 | 90.0 | 90.0 |
C1--CaF2--fluorite | static | -7.1722 | -7.1722 | 6.4798 | 6.4798 | 6.4798 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
A15--Cr3Si | dynamic | -8.8439 | -8.8439 | 5.2072 | 5.2072 | 5.2072 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | static | -8.5894 | -8.5894 | 6.6993 | 6.6993 | 6.6993 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | box | -8.1708 | -8.1708 | 4.3335 | 4.3335 | 4.3335 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
A1--Cu--fcc = mp-8641, oqmd-676155, oqmd-1214584
A15--beta-W = mp-11334, oqmd-9254, oqmd-1215029
A2--W--bcc = mp-91, oqmd-676232, oqmd-1215207
A3'--alpha-La--double-hcp = oqmd-1215475
A3--Mg--hcp = oqmd-1215385
A4--C--dc = oqmd-1215564
A5--beta-Sn = oqmd-1215653
A6--In--bct = oqmd-1215742
A7--alpha-As = oqmd-1215831
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
A2--W--bcc | dynamic | -8.9119 | -8.9119 | 3.1839 | 3.1839 | 3.1839 | 90.0 | 90.0 | 90.0 |
A1--Cu--fcc | dynamic | -8.6759 | -8.6759 | 4.2546 | 4.2546 | 4.2546 | 90.0 | 90.0 | 90.0 |
A3'--alpha-La--double-hcp | box | -8.6346 | -8.6346 | 2.9994 | 2.9994 | 9.9098 | 90.0 | 90.0 | 120.0 |
oqmd-1216101 | static | -8.6216 | -8.6216 | 2.9968 | 2.9968 | 22.3545 | 90.0 | 90.0 | 120.0 |
mp-1065340 | box | -8.5979 | -8.5979 | 3.2795 | 4.4471 | 4.4198 | 90.0 | 90.0 | 90.0 |
A3--Mg--hcp | dynamic | -8.5956 | -8.5956 | 2.9918 | 2.9918 | 4.992 | 90.0 | 90.0 | 120.0 |
oqmd-1214851 | dynamic | -8.5919 | -8.5919 | 10.0155 | 10.0155 | 10.0155 | 90.0 | 90.0 | 90.0 |
oqmd-1214851 | box | -8.5178 | -8.5178 | 9.9849 | 9.9849 | 9.9849 | 90.0 | 90.0 | 90.0 |
A15--beta-W | box | -8.5068 | -8.5068 | 5.187 | 5.187 | 5.187 | 90.0 | 90.0 | 90.0 |
oqmd-1215296 | box | -8.4767 | -8.4767 | 2.7671 | 5.3463 | 4.5537 | 90.0 | 90.0 | 90.0 |
A3--Mg--hcp | box | -8.4048 | -8.4048 | 2.7632 | 2.7632 | 4.3337 | 90.0 | 90.0 | 120.0 |
oqmd-1214940 | box | -8.3773 | -8.3773 | 7.1298 | 7.1298 | 7.1298 | 90.0 | 90.0 | 90.0 |
A5--beta-Sn | static | -7.5087 | -7.5087 | 5.2794 | 5.2794 | 2.6753 | 90.0 | 90.0 | 90.0 |
oqmd-1216009 | box | -7.1349 | -7.1349 | 4.242 | 4.242 | 4.4585 | 90.0 | 90.0 | 120.0 |
mp-1191581 | box | -7.0918 | -7.0918 | 11.0917 | 2.6342 | 16.32 | 90.0 | 97.1 | 90.0 |
mp-1178801 | box | -7.0589 | -7.0589 | 7.4058 | 2.5917 | 18.826 | 90.0 | 98.1 | 90.0 |
Ah--alpha-Po--sc | static | -6.8348 | -6.8348 | 2.5888 | 2.5888 | 2.5888 | 90.0 | 90.0 | 90.0 |
A7--alpha-As | box | -6.8184 | -6.8184 | 3.8419 | 3.8419 | 9.0792 | 90.0 | 90.0 | 120.0 |
A4--C--dc | static | -6.6537 | -6.6537 | 5.5457 | 5.5457 | 5.5457 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | dynamic | -8.9705 | -8.9705 | 6.0287 | 6.0287 | 6.0287 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
A15--Cr3Si | dynamic | -9.2983 | -9.2983 | 5.2354 | 5.2354 | 5.2354 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | dynamic | -9.2426 | -9.2426 | 6.6734 | 6.6734 | 6.6734 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | dynamic | -9.2306 | -9.2306 | 4.3225 | 4.3225 | 4.3225 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
B2--CsCl | dynamic | -10.1405 | -10.1405 | 3.3769 | 3.3769 | 3.3769 | 90.0 | 90.0 | 90.0 |
B1--NaCl--rock-salt | static | -9.8776 | -9.8776 | 5.3066 | 5.3066 | 5.3066 | 90.0 | 90.0 | 90.0 |
B3--ZnS--cubic-zinc-blende | static | -7.3127 | -7.3127 | 5.4954 | 5.4954 | 5.4954 | 90.0 | 90.0 | 90.0 |
B1--NaCl--rock-salt | box | 12.3896 | 12.3896 | 3.3127 | 3.3127 | 3.3127 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
C1--CaF2--fluorite | dynamic | -9.254 | -9.254 | 6.6028 | 6.6028 | 6.6028 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
A15--Cr3Si | dynamic | -10.763 | -10.763 | 5.3162 | 5.3162 | 5.3162 | 90.0 | 90.0 | 90.0 |
D0_3--BiF3 | static | -10.6675 | -10.6675 | 6.9169 | 6.9169 | 6.9169 | 90.0 | 90.0 | 90.0 |
L1_2--AuCu3 | dynamic | -10.4317 | -10.4317 | 4.5251 | 4.5251 | 4.5251 | 90.0 | 90.0 | 90.0 |
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Reference structure matches:
A1--Cu--fcc = mp-8635, oqmd-7509
A15--beta-W = oqmd-1215034
A2--W--bcc = mp-41, oqmd-9320
A3'--alpha-La--double-hcp = oqmd-1215480
A3--Mg--hcp = mp-131, oqmd-67408, oqmd-758445, oqmd-758446, oqmd-758447, oqmd-758451, oqmd-758458, oqmd-758460, oqmd-758469
A4--C--dc = oqmd-1215569
A5--beta-Sn = oqmd-1215658
A6--In--bct = oqmd-1215747
prototype | method | Ecoh (eV/atom) | Epot (eV/atom) | a0 (Å) | b0 (Å) | c0 (Å) | α (degrees) | β (degrees) | γ (degrees) |
---|
A15--beta-W | dynamic | -11.4188 | -11.4188 | 5.2303 | 5.2303 | 5.2303 | 90.0 | 90.0 | 90.0 |
Ah--alpha-Po--sc | dynamic | -11.3304 | -11.3304 | 2.7243 | 2.7243 | 2.7243 | 90.0 | 90.0 | 90.0 |
A2--W--bcc | static | -11.1264 | -11.1264 | 3.4161 | 3.4161 | 3.4161 | 90.0 | 90.0 | 90.0 |
A1--Cu--fcc | dynamic | -11.0528 | -11.0528 | 4.5859 | 4.5859 | 4.5859 | 90.0 | 90.0 | 90.0 |
A3'--alpha-La--double-hcp | dynamic | -11.0163 | -11.0163 | 3.2357 | 3.2357 | 10.6982 | 90.0 | 90.0 | 120.0 |
mp-1056376 | dynamic | -11.0045 | -11.0045 | 3.088 | 3.088 | 2.6262 | 90.0 | 90.0 | 120.0 |
A3--Mg--hcp | dynamic | -10.9994 | -10.9994 | 2.7569 | 2.7569 | 5.4059 | 90.0 | 90.0 | 120.0 |
A3'--alpha-La--double-hcp | box | -10.9875 | -10.9875 | 2.7628 | 2.7628 | 10.9917 | 90.0 | 90.0 | 120.0 |
A3--Mg--hcp | dynamic | -10.9829 | -10.9829 | 3.2308 | 3.2308 | 5.3913 | 90.0 | 90.0 | 120.0 |
A3--Mg--hcp | box | -10.9829 | -10.9829 | 3.2307 | 3.2307 | 5.3913 | 90.0 | 90.0 | 120.0 |
oqmd-758444 | box | -10.9829 | -10.9829 | 3.2328 | 5.5924 | 5.3913 | 90.0 | 90.0 | 90.0 |
oqmd-1215301 | box | -10.9805 | -10.9805 | 3.2458 | 5.567 | 5.3897 | 90.0 | 90.0 | 90.0 |
oqmd-1214945 | box | -10.7968 | -10.7968 | 7.601 | 7.601 | 7.601 | 90.0 | 90.0 | 90.0 |
A1--Cu--fcc | box | -10.7725 | -10.7725 | 4.0639 | 4.0639 | 4.0639 | 90.0 | 90.0 | 90.0 |
A6--In--bct | box | -10.7656 | -10.7656 | 2.8442 | 2.8442 | 4.2704 | 90.0 | 90.0 | 90.0 |
A5--beta-Sn | box | -10.6909 | -10.6909 | 5.4896 | 5.4896 | 2.6929 | 90.0 | 90.0 | 90.0 |
oqmd-1216014 | box | -9.3099 | -9.3099 | 4.303 | 4.303 | 5.4022 | 90.0 | 90.0 | 120.0 |
A4--C--dc | static | -8.229 | -8.229 | 5.3364 | 5.3364 | 5.3364 | 90.0 | 90.0 | 90.0 |
mp-1178608 | static | -6.4433 | -6.4433 | 3.165 | 3.165 | 7.6005 | 90.0 | 90.0 | 120.0 |
A2--W--bcc | box | -6.3983 | -6.3983 | 1.7237 | 1.7237 | 1.7237 | 90.0 | 90.0 | 90.0 |
A3--Mg--hcp | box | -4.6943 | -4.6943 | 1.5872 | 1.5872 | 2.4744 | 90.0 | 90.0 | 120.0 |
A1--Cu--fcc | box | -2.6532 | -2.6532 | 2.051 | 2.051 | 2.051 | 90.0 | 90.0 | 90.0 |
A15--beta-W | box | -2.6062 | -2.6062 | 2.8404 | 2.8404 | 2.8404 | 90.0 | 90.0 | 90.0 |
A1--Cu--fcc | box | -2.2292 | -2.2292 | 2.3451 | 2.3451 | 2.3451 | 90.0 | 90.0 | 90.0 |
A6--In--bct | box | -2.0515 | -2.0515 | 1.4369 | 1.4369 | 2.1416 | 90.0 | 90.0 | 90.0 |
A2--W--bcc | static | -1.5375 | -1.5375 | 2.4496 | 2.4496 | 2.4496 | 90.0 | 90.0 | 90.0 |
A3--Mg--hcp | box | -0.4316 | -0.4316 | 1.9835 | 1.9835 | 3.2081 | 90.0 | 90.0 | 120.0 |
A1--Cu--fcc | dynamic | -0.0 | -0.0 | 21.9553 | 21.9553 | 21.9553 | 90.0 | 90.0 | 90.0 |
A2--W--bcc | box | 0.1013 | 0.1013 | 1.998 | 1.998 | 1.998 | 90.0 | 90.0 | 90.0 |
A5--beta-Sn | box | 1.346 | 1.346 | 2.8022 | 2.8022 | 1.4862 | 90.0 | 90.0 | 90.0 |
Ah--alpha-Po--sc | box | 2.6226 | 2.6226 | 1.3897 | 1.3897 | 1.3897 | 90.0 | 90.0 | 90.0 |
A7--alpha-As | box | 10.6716 | 10.6716 | 2.0124 | 2.0124 | 5.702 | 90.0 | 90.0 | 120.0 |