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{
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{
"id": "jvasp-53442",
"created_at": "2022-09-04T14:37:40.372552Z",
"updated_at": "2022-09-04T14:37:40.372576Z",
"structure_string": "Nd4 Pb2 Se8\n1.0\n7.377409 0.000000 -2.614853\n-3.685620 6.394367 -2.606127\n-0.006170 -0.000000 7.827107\nNd Pb Se\n4 2 8\ndirect\n0.250000 0.633045 0.383045 Nd\n0.750000 0.866956 0.116955 Nd\n0.616955 0.366955 0.250000 Nd\n0.883045 0.133045 0.750001 Nd\n0.125000 0.750000 0.875000 Pb\n0.375000 0.250000 0.625000 Pb\n0.990117 0.847971 0.491903 Se\n0.508098 0.998215 0.356069 Se\n0.142146 0.152030 0.143931 Se\n0.357854 0.501786 0.009884 Se\n0.509884 0.001785 0.857855 Se\n0.643931 0.652030 0.642146 Se\n0.856069 0.498215 0.008097 Se\n0.991903 0.347971 0.490117 Se\n",
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"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
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"formula_full": "Sb8 Se6 S6",
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{
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"created_at": "2022-09-04T14:37:27.476817Z",
"updated_at": "2022-09-04T14:37:27.476847Z",
"structure_string": "Pb4 Cl8\n1.0\n4.549166 0.000000 0.000000\n-0.000000 7.617689 0.000000\n0.000000 0.000000 9.130109\nPb Cl\n4 8\ndirect\n0.250000 0.762426 0.595897 Pb\n0.750001 0.237574 0.404103 Pb\n0.250000 0.262426 0.904103 Pb\n0.750001 0.737574 0.095897 Pb\n0.250000 0.980806 0.338253 Cl\n0.750001 0.019194 0.661747 Cl\n0.250000 0.480806 0.161747 Cl\n0.750001 0.519194 0.838253 Cl\n0.750001 0.142051 0.077217 Cl\n0.250000 0.857949 0.922784 Cl\n0.750001 0.642051 0.422784 Cl\n0.250000 0.357949 0.577217 Cl\n",
"nsites": 12,
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"spacegroup": 62
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{
"id": "jvasp-105314",
"created_at": "2022-09-04T14:36:59.045501Z",
"updated_at": "2022-09-04T14:36:59.045531Z",
"structure_string": "Tm6 Fe1 Bi2\n1.0\n8.178200 0.000000 0.000000\n-4.089100 7.082529 0.000000\n0.000000 -0.000000 4.096625\nTm Fe Bi\n6 1 2\ndirect\n0.229154 -0.000000 0.499999 Tm\n0.000000 0.229154 0.499999 Tm\n0.770846 0.770846 0.499999 Tm\n0.614889 -0.000000 -0.000000 Tm\n0.000000 0.614889 -0.000000 Tm\n0.385111 0.385111 -0.000000 Tm\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.499999 Bi\n0.666667 0.333333 0.499999 Bi\n",
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{
"id": "jvasp-14130",
"created_at": "2022-09-04T14:35:47.756587Z",
"updated_at": "2022-09-04T14:35:47.756604Z",
"structure_string": "Na4 Sn8 Cl20\n1.0\n8.177510 0.000000 0.000000\n0.000000 8.543837 0.000000\n-0.000000 0.000000 12.075291\nNa Sn Cl\n4 8 20\ndirect\n0.000000 0.251942 0.500000 Na\n0.500000 0.248058 0.000000 Na\n0.000000 0.748058 0.500000 Na\n0.500000 0.751942 0.000000 Na\n0.466491 0.500000 0.671770 Sn\n0.533509 0.500000 0.328230 Sn\n0.465198 0.000000 0.676620 Sn\n0.033509 0.000000 0.171770 Sn\n0.534802 0.000000 0.323380 Sn\n0.034802 0.500000 0.176620 Sn\n0.966491 0.000000 0.828230 Sn\n0.965198 0.500000 0.823380 Sn\n0.170641 0.271246 0.296958 Cl\n0.317269 0.500000 0.073646 Cl\n0.817269 0.000000 0.426354 Cl\n0.329359 0.771246 0.796958 Cl\n0.682731 0.500000 0.926354 Cl\n0.670641 0.771246 0.203042 Cl\n0.829358 0.728754 0.703042 Cl\n0.670641 0.228754 0.203042 Cl\n0.329359 0.228754 0.796958 Cl\n0.500000 0.283535 0.500000 Cl\n0.170641 0.728754 0.296958 Cl\n0.336053 0.000000 0.101204 Cl\n0.836053 0.500000 0.398796 Cl\n0.000000 0.216465 0.000000 Cl\n0.182731 0.000000 0.573646 Cl\n0.000000 0.783535 0.000000 Cl\n0.500000 0.716466 0.500000 Cl\n0.163947 0.500000 0.601204 Cl\n0.829358 0.271246 0.703042 Cl\n0.663947 0.000000 0.898796 Cl\n",
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{
"id": "jvasp-36238",
"created_at": "2022-09-04T14:37:18.598297Z",
"updated_at": "2022-09-04T14:37:18.598322Z",
"structure_string": "Mg1 Te1\n1.0\n2.976273 2.976273 0.000000\n2.976273 0.000000 -2.976273\n-0.000000 2.976273 -2.976273\nMg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Te\n",
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"spacegroup": 225
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{
"id": "jvasp-88927",
"created_at": "2022-09-04T14:35:56.042545Z",
"updated_at": "2022-09-04T14:35:56.042571Z",
"structure_string": "K2 Hg3 Ge2 S8\n1.0\n6.412299 0.101927 0.351317\n0.957603 6.341212 0.351317\n-0.060631 -0.053006 9.743263\nK Hg Ge S\n2 3 2 8\ndirect\n0.614408 0.933878 0.237751 K\n0.066122 0.385592 0.762249 K\n0.481000 0.519000 0.000000 Hg\n0.162940 0.837060 0.500000 Hg\n0.650718 0.349281 0.500000 Hg\n0.572493 0.897208 0.733818 Ge\n0.102791 0.427507 0.266182 Ge\n0.246449 0.277193 0.069098 S\n0.722807 0.753551 0.930902 S\n0.229900 0.853477 0.746563 S\n0.146523 0.770099 0.253438 S\n0.760079 0.389701 0.256327 S\n0.236519 0.267040 0.453995 S\n0.732959 0.763481 0.546006 S\n0.610299 0.239921 0.743674 S\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.542326721405761,
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{
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"structure_string": "Ca1 Sm1 Hg2\n1.0\n-0.000000 3.749823 3.749823\n3.749823 0.000000 3.749823\n3.749823 3.749823 0.000000\nCa Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 Hg\n0.499999 0.499999 0.499999 Hg\n",
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{
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"updated_at": "2022-09-04T14:35:55.173709Z",
"structure_string": "Pr1 P1\n1.0\n3.645054 0.000000 2.104472\n1.215018 3.436590 2.104472\n-0.000000 -0.000000 4.208946\nPr P\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 P\n",
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{
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"structure_string": "Mg2 Sn6\n1.0\n3.314753 -5.741321 0.000000\n3.314753 5.741321 -0.000000\n0.000000 0.000000 5.540512\nMg Sn\n2 6\ndirect\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.831188 0.662376 0.750000 Sn\n0.831188 0.168811 0.750000 Sn\n0.337623 0.168812 0.750000 Sn\n0.662376 0.831188 0.250000 Sn\n0.168811 0.831188 0.250000 Sn\n0.168812 0.337623 0.250000 Sn\n",
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{
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