135035'5,15,25,35,40,45,50,55,60''-297.5583022,-297.1714181,-297.17638059,-297.17630246,-297.17630243,-297.17605413,-297.17605413,-297.17641105,-297.17641104''500,550,600,650,700,750,800,850,900,950,1000,1050,1100,1150,1200,1250,1300,1350,1400,1450,1500,1550,1600''-297.55363933,-297.55830289,-297.60545805,-297.64799762,-297.68836855,-297.71254622,-297.72414196,-297.72720407,-297.72760824,-297.72863348,-297.72935121,-297.73112662,-297.73403568,-297.73601091,-297.73858769,-297.74058023,-297.74195169,-297.74245227,-297.74240341,-297.74236128,-297.74233412,-297.74239506,-297.74261201'
/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-21618_PBEBO'https://www.materialsproject.org/materials/mp-21618''/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-21618_PBEBO'JARVIS-ID'JARVIS-ID'JARVIS-DFT-VASP'JARVIS-DFT-VASP'bulk'bulk'"13.026057517343018,18.46174194610496,22.660639766685122,26.224352528545538,27.846219204546223,29.385467809866604,30.854536686623437,32.263083155634384,37.42577855397972,38.62252906934209,39.7887738300558,42.04007842630362,46.27388172220338,48.280873359866625,49.26106855658823,53.9647735914437,54.87120410121013,55.767655020554635,62.63735682896728,63.46434376873829,69.10285389487254,76.06057509006936,87.99210538717138""6.796489630781887,4.805843906189927,3.923955117876423,3.3982448153909437,3.2038959374599516,3.0394825645601498,2.8980329159723537,2.774655272922077,2.4029219530949635,2.3311767112296518,2.2654965435939625,2.14923873269876,1.9619775589382116,1.885007065918724,1.8497701819480514,1.6991224076954718,1.6731800841570341,1.6483908606546411,1.4831156282400224,1.4657686498712483,1.3592979261563773,1.2513351689813905,1.1098621091688308""11.490397169935692,2.686316658941414,0.532902806560292,1.1491158321583113,15.74400478139366,11.874108683851677,9.976047668742378,1.9800783783443072,1.100015748836241,3.5090226813951806,7.1634104661752795,0.7232614144310952,0.8630601516956515,4.5785705405243835,5.4068914513912825,6.024445954150867,3.97858195376404,3.49441105678877,0.8224004426373565,1.309218100597613,1.493611507799526,1.2078588811653193,0.5345460290717556"JVASP-23623"DFT-SCF,JVASP-23623.zip,https://ndownloader.figshare.com/files/23286068;""JVASP-23623"NdAl3Pb2O8"NdAl3Pb2O8"Nd,Al,Pb,O"Nd,Al,Pb,O"4OptB88vdW"OptB88vdW"-2.79294-5.31068224m-3mPn-3mcubic9.619.619.6190.090.090.09.619.619.6190.090.090.056565.742"n;a""Nd,2.068,5.895,0.669,0.0,8.632;Nd,2.068,5.895,0.669,0.0,8.632;Nd,2.068,5.895,0.669,0.0,8.632;Nd,2.068,5.895,0.669,0.0,8.632;Al,0.319,0.433,0.000,0.0,0.752;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.433,0.000,0.0,0.752;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Al,0.319,0.432,0.000,0.0,0.751;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;Pb,1.455,0.483,9.869,0.0,11.807;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.601,0.000,0.0,5.152;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.601,0.000,0.0,5.152;O,1.551,3.601,0.000,0.0,5.151;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.599,0.000,0.0,5.150;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.602,0.000,0.0,5.153;O,1.551,3.602,0.000,0.0,5.153;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003;O,1.571,3.432,0.000,0.0,5.003"887.8950.483"448\n19.22282 0.0 0.0 0.0 19.22282 0.0 0.0 0.0 19.22282\nNd -2.0596 -6.8653 7.5518\nNd -2.0596 -6.8653 17.1632\nNd -2.0596 2.7461 7.5518\nNd -2.0596 2.7461 17.1632\nNd 7.5518 -6.8653 7.5518\nNd 7.5518 -6.8653 17.1632\nNd 7.5518 2.7461 7.5518\nNd 7.5518 2.7461 17.1632\nNd -6.8653 -2.0596 7.5518\nNd -6.8653 -2.0596 17.1632\nNd -6.8653 7.5518 7.5518\nNd -6.8653 7.5518 17.1632\nNd 2.7461 -2.0596 7.5518\nNd 2.7461 -2.0596 17.1632\nNd 2.7461 7.5518 7.5518\nNd 2.7461 7.5518 17.1632\nNd -6.8653 -6.8653 2.7461\nNd -6.8653 -6.8653 12.3575\nNd -6.8653 2.7461 2.7461\nNd -6.8653 2.7461 12.3575\nNd 2.7461 -6.8653 2.7461\nNd 2.7461 -6.8653 12.3575\nNd 2.7461 2.7461 2.7461\nNd 2.7461 2.7461 12.3575\nNd -2.0596 -2.0596 2.7461\nNd -2.0596 -2.0596 12.3575\nNd -2.0596 7.5518 2.7461\nNd -2.0596 7.5518 12.3575\nNd 7.5518 -2.0596 2.7461\nNd 7.5518 -2.0596 12.3575\nNd 7.5518 7.5518 2.7461\nNd 7.5518 7.5518 12.3575\nAl -9.2681 -4.4624 7.5518\nAl -9.2681 -4.4624 17.1632\nAl -9.2681 5.149 7.5518\nAl -9.2681 5.149 17.1632\nAl 0.3433 -4.4624 7.5518\nAl 0.3433 -4.4624 17.1632\nAl 0.3433 5.149 7.5518\nAl 0.3433 5.149 17.1632\nAl -6.8653 -9.2681 5.149\nAl -6.8653 -9.2681 14.7604\nAl -6.8653 0.3433 5.149\nAl -6.8653 0.3433 14.7604\nAl 2.7461 -9.2681 5.149\nAl 2.7461 -9.2681 14.7604\nAl 2.7461 0.3433 5.149\nAl 2.7461 0.3433 14.7604\nAl -2.0596 -9.2681 5.149\nAl -2.0596 -9.2681 14.7604\nAl -2.0596 0.3433 5.149\nAl -2.0596 0.3433 14.7604\nAl 7.5518 -9.2681 5.149\nAl 7.5518 -9.2681 14.7604\nAl 7.5518 0.3433 5.149\nAl 7.5518 0.3433 14.7604\nAl -4.4624 -2.0596 0.3433\nAl -4.4624 -2.0596 9.9547\nAl -4.4624 7.5518 0.3433\nAl -4.4624 7.5518 9.9547\nAl 5.149 -2.0596 0.3433\nAl 5.149 -2.0596 9.9547\nAl 5.149 7.5518 0.3433\nAl 5.149 7.5518 9.9547\nAl -4.4624 -6.8653 0.3433\nAl -4.4624 -6.8653 9.9547\nAl -4.4624 2.7461 0.3433\nAl -4.4624 2.7461 9.9547\nAl 5.149 -6.8653 0.3433\nAl 5.149 -6.8653 9.9547\nAl 5.149 2.7461 0.3433\nAl 5.149 2.7461 9.9547\nAl -9.2681 -4.4624 2.7461\nAl -9.2681 -4.4624 12.3575\nAl -9.2681 5.149 2.7461\nAl -9.2681 5.149 12.3575\nAl 0.3433 -4.4624 2.7461\nAl 0.3433 -4.4624 12.3575\nAl 0.3433 5.149 2.7461\nAl 0.3433 5.149 12.3575\nAl -4.4624 -9.2681 7.5518\nAl -4.4624 -9.2681 17.1632\nAl -4.4624 0.3433 7.5518\nAl -4.4624 0.3433 17.1632\nAl 5.149 -9.2681 7.5518\nAl 5.149 -9.2681 17.1632\nAl 5.149 0.3433 7.5518\nAl 5.149 0.3433 17.1632\nAl -6.8653 -4.4624 0.3433\nAl -6.8653 -4.4624 9.9547\nAl -6.8653 5.149 0.3433\nAl -6.8653 5.149 9.9547\nAl 2.7461 -4.4624 0.3433\nAl 2.7461 -4.4624 9.9547\nAl 2.7461 5.149 0.3433\nAl 2.7461 5.149 9.9547\nAl -2.0596 -4.4624 0.3433\nAl -2.0596 -4.4624 9.9547\nAl -2.0596 5.149 0.3433\nAl -2.0596 5.149 9.9547\nAl 7.5518 -4.4624 0.3433\nAl 7.5518 -4.4624 9.9547\nAl 7.5518 5.149 0.3433\nAl 7.5518 5.149 9.9547\nAl -9.2681 -2.0596 5.149\nAl -9.2681 -2.0596 14.7604\nAl -9.2681 7.5518 5.149\nAl -9.2681 7.5518 14.7604\nAl 0.3433 -2.0596 5.149\nAl 0.3433 -2.0596 14.7604\nAl 0.3433 7.5518 5.149\nAl 0.3433 7.5518 14.7604\nAl -9.2681 -6.8653 5.149\nAl -9.2681 -6.8653 14.7604\nAl -9.2681 2.7461 5.149\nAl -9.2681 2.7461 14.7604\nAl 0.3433 -6.8653 5.149\nAl 0.3433 -6.8653 14.7604\nAl 0.3433 2.7461 5.149\nAl 0.3433 2.7461 14.7604\nAl -4.4624 -9.2681 2.7461\nAl -4.4624 -9.2681 12.3575\nAl -4.4624 0.3433 2.7461\nAl -4.4624 0.3433 12.3575\nAl 5.149 -9.2681 2.7461\nAl 5.149 -9.2681 12.3575\nAl 5.149 0.3433 2.7461\nAl 5.149 0.3433 12.3575\nPb -0.9381 -0.9381 8.6733\nPb -0.9381 -0.9381 18.2847\nPb -0.9381 8.6733 8.6733\nPb -0.9381 8.6733 18.2847\nPb 8.6733 -0.9381 8.6733\nPb 8.6733 -0.9381 18.2847\nPb 8.6733 8.6733 8.6733\nPb 8.6733 8.6733 18.2847\nPb -5.7438 -3.1811 3.8676\nPb -5.7438 -3.1811 13.479\nPb -5.7438 6.4303 3.8676\nPb -5.7438 6.4303 13.479\nPb 3.8676 -3.1811 3.8676\nPb 3.8676 -3.1811 13.479\nPb 3.8676 6.4303 3.8676\nPb 3.8676 6.4303 13.479\nPb -3.1811 -5.7438 3.8676\nPb -3.1811 -5.7438 13.479\nPb -3.1811 3.8676 3.8676\nPb -3.1811 3.8676 13.479\nPb 6.4303 -5.7438 3.8676\nPb 6.4303 -5.7438 13.479\nPb 6.4303 3.8676 3.8676\nPb 6.4303 3.8676 13.479\nPb -5.7438 -5.7438 6.4303\nPb -5.7438 -5.7438 16.0417\nPb -5.7438 3.8676 6.4303\nPb -5.7438 3.8676 16.0417\nPb 3.8676 -5.7438 6.4303\nPb 3.8676 -5.7438 16.0417\nPb 3.8676 3.8676 6.4303\nPb 3.8676 3.8676 16.0417\nPb -0.9381 -7.9868 1.6246\nPb -0.9381 -7.9868 11.236\nPb -0.9381 1.6246 1.6246\nPb -0.9381 1.6246 11.236\nPb 8.6733 -7.9868 1.6246\nPb 8.6733 -7.9868 11.236\nPb 8.6733 1.6246 1.6246\nPb 8.6733 1.6246 11.236\nPb -7.9868 -7.9868 8.6733\nPb -7.9868 -7.9868 18.2847\nPb -7.9868 1.6246 8.6733\nPb -7.9868 1.6246 18.2847\nPb 1.6246 -7.9868 8.6733\nPb 1.6246 -7.9868 18.2847\nPb 1.6246 1.6246 8.6733\nPb 1.6246 1.6246 18.2847\nPb -7.9868 -0.9381 1.6246\nPb -7.9868 -0.9381 11.236\nPb -7.9868 8.6733 1.6246\nPb -7.9868 8.6733 11.236\nPb 1.6246 -0.9381 1.6246\nPb 1.6246 -0.9381 11.236\nPb 1.6246 8.6733 1.6246\nPb 1.6246 8.6733 11.236\nPb -3.1811 -3.1811 6.4303\nPb -3.1811 -3.1811 16.0417\nPb -3.1811 6.4303 6.4303\nPb -3.1811 6.4303 16.0417\nPb 6.4303 -3.1811 6.4303\nPb 6.4303 -3.1811 16.0417\nPb 6.4303 6.4303 6.4303\nPb 6.4303 6.4303 16.0417\nO -9.1406 -2.9547 6.6567\nO -9.1406 -2.9547 16.2681\nO -9.1406 6.6567 6.6567\nO -9.1406 6.6567 16.2681\nO 0.4709 -2.9547 6.6567\nO 0.4709 -2.9547 16.2681\nO 0.4709 6.6567 6.6567\nO 0.4709 6.6567 16.2681\nO -9.1406 -5.9702 3.6413\nO -9.1406 -5.9702 13.2527\nO -9.1406 3.6413 3.6413\nO -9.1406 3.6413 13.2527\nO 0.4709 -5.9702 3.6413\nO 0.4709 -5.9702 13.2527\nO 0.4709 3.6413 3.6413\nO 0.4709 3.6413 13.2527\nO -2.9547 -2.9547 0.4709\nO -2.9547 -2.9547 10.0823\nO -2.9547 6.6567 0.4709\nO -2.9547 6.6567 10.0823\nO 6.6567 -2.9547 0.4709\nO 6.6567 -2.9547 10.0823\nO 6.6567 6.6567 0.4709\nO 6.6567 6.6567 10.0823\nO -5.9702 -2.9547 9.8271\nO -5.9702 -2.9547 19.4385\nO -5.9702 6.6567 9.8271\nO -5.9702 6.6567 19.4385\nO 3.6413 -2.9547 9.8271\nO 3.6413 -2.9547 19.4385\nO 3.6413 6.6567 9.8271\nO 3.6413 6.6567 19.4385\nO -2.9547 -9.1406 6.6567\nO -2.9547 -9.1406 16.2681\nO -2.9547 0.4709 6.6567\nO -2.9547 0.4709 16.2681\nO 6.6567 -9.1406 6.6567\nO 6.6567 -9.1406 16.2681\nO 6.6567 0.4709 6.6567\nO 6.6567 0.4709 16.2681\nO -5.9702 0.2157 6.6567\nO -5.9702 0.2157 16.2681\nO -5.9702 9.8271 6.6567\nO -5.9702 9.8271 16.2681\nO 3.6413 0.2157 6.6567\nO 3.6413 0.2157 16.2681\nO 3.6413 9.8271 6.6567\nO 3.6413 9.8271 16.2681\nO -4.3349 -7.7604 8.447\nO -4.3349 -7.7604 18.0584\nO -4.3349 1.851 8.447\nO -4.3349 1.851 18.0584\nO 5.2766 -7.7604 8.447\nO 5.2766 -7.7604 18.0584\nO 5.2766 1.851 8.447\nO 5.2766 1.851 18.0584\nO -4.3349 -1.1645 1.851\nO -4.3349 -1.1645 11.4624\nO -4.3349 8.447 1.851\nO -4.3349 8.447 11.4624\nO 5.2766 -1.1645 1.851\nO 5.2766 -1.1645 11.4624\nO 5.2766 8.447 1.851\nO 5.2766 8.447 11.4624\nO -4.59 -7.7604 1.851\nO -4.59 -7.7604 11.4624\nO -4.59 1.851 1.851\nO -4.59 1.851 11.4624\nO 5.0214 -7.7604 1.851\nO 5.0214 -7.7604 11.4624\nO 5.0214 1.851 1.851\nO 5.0214 1.851 11.4624\nO -1.1645 -7.7604 5.2766\nO -1.1645 -7.7604 14.888\nO -1.1645 1.851 5.2766\nO -1.1645 1.851 14.888\nO 8.447 -7.7604 5.2766\nO 8.447 -7.7604 14.888\nO 8.447 1.851 5.2766\nO 8.447 1.851 14.888\nO -7.7604 -4.59 1.851\nO -7.7604 -4.59 11.4624\nO -7.7604 5.0214 1.851\nO -7.7604 5.0214 11.4624\nO 1.851 -4.59 1.851\nO 1.851 -4.59 11.4624\nO 1.851 5.0214 1.851\nO 1.851 5.0214 11.4624\nO -7.7604 -4.3349 8.447\nO -7.7604 -4.3349 18.0584\nO -7.7604 5.2766 8.447\nO -7.7604 5.2766 18.0584\nO 1.851 -4.3349 8.447\nO 1.851 -4.3349 18.0584\nO 1.851 5.2766 8.447\nO 1.851 5.2766 18.0584\nO -7.7604 -1.1645 5.2766\nO -7.7604 -1.1645 14.888\nO -7.7604 8.447 5.2766\nO -7.7604 8.447 14.888\nO 1.851 -1.1645 5.2766\nO 1.851 -1.1645 14.888\nO 1.851 8.447 5.2766\nO 1.851 8.447 14.888\nO -1.1645 -4.3349 1.851\nO -1.1645 -4.3349 11.4624\nO -1.1645 5.2766 1.851\nO -1.1645 5.2766 11.4624\nO 8.447 -4.3349 1.851\nO 8.447 -4.3349 11.4624\nO 8.447 5.2766 1.851\nO 8.447 5.2766 11.4624\nO -7.7604 -7.7604 5.0214\nO -7.7604 -7.7604 14.6328\nO -7.7604 1.851 5.0214\nO -7.7604 1.851 14.6328\nO 1.851 -7.7604 5.0214\nO 1.851 -7.7604 14.6328\nO 1.851 1.851 5.0214\nO 1.851 1.851 14.6328\nO -1.1645 -1.1645 5.0214\nO -1.1645 -1.1645 14.6328\nO -1.1645 8.447 5.0214\nO -1.1645 8.447 14.6328\nO 8.447 -1.1645 5.0214\nO 8.447 -1.1645 14.6328\nO 8.447 8.447 5.0214\nO 8.447 8.447 14.6328\nO -1.1645 -4.59 8.447\nO -1.1645 -4.59 18.0584\nO -1.1645 5.0214 8.447\nO -1.1645 5.0214 18.0584\nO 8.447 -4.59 8.447\nO 8.447 -4.59 18.0584\nO 8.447 5.0214 8.447\nO 8.447 5.0214 18.0584\nO -5.9702 -9.1406 3.6413\nO -5.9702 -9.1406 13.2527\nO -5.9702 0.4709 3.6413\nO -5.9702 0.4709 13.2527\nO 3.6413 -9.1406 3.6413\nO 3.6413 -9.1406 13.2527\nO 3.6413 0.4709 3.6413\nO 3.6413 0.4709 13.2527\nO -2.9547 0.2157 3.6413\nO -2.9547 0.2157 13.2527\nO -2.9547 9.8271 3.6413\nO -2.9547 9.8271 13.2527\nO 6.6567 0.2157 3.6413\nO 6.6567 0.2157 13.2527\nO 6.6567 9.8271 3.6413\nO 6.6567 9.8271 13.2527\nO -2.9547 -5.9702 9.8271\nO -2.9547 -5.9702 19.4385\nO -2.9547 3.6413 9.8271\nO -2.9547 3.6413 19.4385\nO 6.6567 -5.9702 9.8271\nO 6.6567 -5.9702 19.4385\nO 6.6567 3.6413 9.8271\nO 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11.0024\nO -3.4147 -5.5102 6.1967\nO -3.4147 -5.5102 15.8081\nO -3.4147 4.1012 6.1967\nO -3.4147 4.1012 15.8081\nO 6.1967 -5.5102 6.1967\nO 6.1967 -5.5102 15.8081\nO 6.1967 4.1012 6.1967\nO 6.1967 4.1012 15.8081\nO -3.4147 -3.4147 4.1012\nO -3.4147 -3.4147 13.7126\nO -3.4147 6.1967 4.1012\nO -3.4147 6.1967 13.7126\nO 6.1967 -3.4147 4.1012\nO 6.1967 -3.4147 13.7126\nO 6.1967 6.1967 4.1012\nO 6.1967 6.1967 13.7126\nO -5.5102 -3.4147 6.1967\nO -5.5102 -3.4147 15.8081\nO -5.5102 6.1967 6.1967\nO -5.5102 6.1967 15.8081\nO 4.1012 -3.4147 6.1967\nO 4.1012 -3.4147 15.8081\nO 4.1012 6.1967 6.1967\nO 4.1012 6.1967 15.8081\nO -0.7045 -0.7045 1.391\nO -0.7045 -0.7045 11.0024\nO -0.7045 8.9069 1.391\nO -0.7045 8.9069 11.0024\nO 8.9069 -0.7045 1.391\nO 8.9069 -0.7045 11.0024\nO 8.9069 8.9069 1.391\nO 8.9069 8.9069 11.0024\nO -8.2204 -0.7045 8.9069\nO -8.2204 -0.7045 18.5183\nO -8.2204 8.9069 8.9069\nO -8.2204 8.9069 18.5183\nO 1.391 -0.7045 8.9069\nO 1.391 -0.7045 18.5183\nO 1.391 8.9069 8.9069\nO 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4.678119396454381 11.11912668161132\n1.5077166816113203 14.28952939645438 1.5077166816113203\n1.5077166816113203 14.28952939645438 11.11912668161132\n11.11912668161132 4.678119396454381 1.5077166816113203\n11.11912668161132 4.678119396454381 11.11912668161132\n11.11912668161132 14.28952939645438 1.5077166816113203\n11.11912668161132 14.28952939645438 11.11912668161132\n1.5077166816113203 4.933290603545618 8.103693318388677\n1.5077166816113203 4.933290603545618 17.715103318388678\n1.5077166816113203 14.544700603545618 8.103693318388677\n1.5077166816113203 14.544700603545618 17.715103318388678\n11.11912668161132 4.933290603545618 8.103693318388677\n17.715103318388678 17.715103318388678 4.678119396454381\n13.369377565631742 13.369377565631742 13.369377565631742\n""Nd4Al2Pb8O32\n1.0\n9.611412299333358 -0.0 0.0\n-0.0 9.611412299333358 -0.0\n0.0 -0.0 9.611412299333358\nNd Al Pb O\n4 12 8 32\nCartesian\n7.2085574999999995 2.4028525 7.2085574999999995\n2.4028525 7.2085574999999995 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4.678119396454383 1.5077166816113214\n8.103693318388677 1.5077166816113214 4.9332906035456165\n4.678119396454383 1.5077166816113214 1.5077166816113214\n4.9332906035456165 8.103693318388677 1.5077166816113214\n4.9332906035456165 1.5077166816113214 8.103693318388677\n3.2979883183886773 9.483824396454382 6.313421681611321\n6.313421681611321 0.12758560354561838 6.313421681611321\n8.563672565631746 1.0477374343682573 8.563672565631746\n6.313421681611321 6.313421681611321 0.12758560354561838\n0.12758560354561838 3.2979883183886773 3.2979883183886773\n0.12758560354561838 6.313421681611321 6.313421681611321\n1.5077166816113214 1.5077166816113214 4.678119396454383\n3.7579675656317426 3.7579675656317426 3.7579675656317426\n""CIF file written using JARVIS-Tools package.\ndata_NdAl3Pb2O8\n_symmetry_space_group_name_H-M 'Pn-3m'\n_cell_length_a 9.61141\n_cell_length_b 9.61141\n_cell_length_c 9.61141\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n\n_symmetry_Int_Tables_number 224\n_chemical_formula_structural NdAl3Pb2O8\n_chemical_formula_sum Nd4Al2Pb8O32\n_cell_volume 887.8950249346221\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_fract_occupancy\n Al Al1 1 0.25000 0.50000 -0.00000 1\n Al Al2 1 0.50000 -0.00000 0.25000 1\n Al Al3 1 0.00000 0.25000 0.50000 1\n Al Al4 1 0.00000 0.75000 0.50000 1\n Al Al5 1 0.00000 0.50000 0.75000 1\n Al Al6 1 0.25000 -0.00000 0.50000 1\n Al Al7 1 0.75000 -0.00000 0.50000 1\n Al Al8 1 0.50000 0.75000 -0.00000 1\n Al Al9 1 0.50000 0.25000 -0.00000 1\n Al Al10 1 0.00000 0.50000 0.25000 1\n Al Al11 1 0.50000 -0.00000 0.75000 1\n Al Al12 1 0.75000 0.50000 -0.00000 1\n Nd Nd1 1 0.75000 0.25000 0.75000 1\n Nd Nd2 1 0.75000 0.75000 0.25000 1\n Nd Nd3 1 0.25000 0.25000 0.25000 1\n Nd Nd4 1 0.25000 0.75000 0.75000 1\n O O1 1 0.84313 0.51327 0.15687 1\n O O2 1 0.15687 0.15687 0.48673 1\n O O3 1 0.84313 0.84313 0.48673 1\n O O4 1 0.84313 0.48673 0.84313 1\n O O5 1 0.34313 0.01327 0.34313 1\n O O6 1 0.65687 0.98673 0.34313 1\n O O7 1 0.65687 0.34313 0.98673 1\n O O8 1 0.34313 0.34313 0.01327 1\n O O9 1 0.89099 0.89099 0.10901 1\n O O10 1 0.98673 0.65687 0.34313 1\n O O11 1 0.48673 0.84313 0.84313 1\n O O12 1 0.10901 0.10901 0.10901 1\n O O13 1 0.60901 0.39099 0.60901 1\n O O14 1 0.60901 0.60901 0.39099 1\n O O15 1 0.39099 0.60901 0.60901 1\n O O16 1 0.15687 0.84313 0.51327 1\n O O17 1 0.10901 0.89099 0.89099 1\n O O18 1 0.98673 0.34313 0.65687 1\n O O19 1 0.15687 0.51327 0.84313 1\n O O20 1 0.34313 0.65687 0.98673 1\n O O21 1 0.84313 0.15687 0.51327 1\n O O22 1 0.15687 0.48673 0.15687 1\n O O23 1 0.01327 0.34313 0.34313 1\n O O24 1 0.65687 0.65687 0.01327 1\n O O25 1 0.89099 0.10901 0.89099 1\n O O26 1 0.01327 0.65687 0.65687 1\n O O27 1 0.34313 0.98673 0.65687 1\n O O28 1 0.51327 0.15687 0.84313 1\n O O29 1 0.51327 0.84313 0.15687 1\n O O30 1 0.48673 0.15687 0.15687 1\n O O31 1 0.65687 0.01327 0.65687 1\n O O32 1 0.39099 0.39099 0.39099 1\n Pb Pb1 1 0.63332 0.63332 0.63332 1\n Pb Pb2 1 0.13332 0.86668 0.13332 1\n Pb Pb3 1 0.13332 0.13332 0.86668 1\n Pb Pb4 1 0.86668 0.13332 0.13332 1\n Pb Pb5 1 0.36668 0.36668 0.63332 1\n Pb Pb6 1 0.63332 0.36668 0.36668 1\n Pb Pb7 1 0.36668 0.63332 0.36668 1\n Pb Pb8 1 0.86668 0.86668 0.86668 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