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{
"id": "mp-7114",
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{
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{
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{
"id": "mp-20978",
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{
"id": "mp-1227387",
"created_at": "2022-09-04T14:41:33.335128Z",
"structure_string": "Ca1 Er2 Te4\n1.0\n4.393346 0.000000 0.000000\n0.000000 7.478593 0.000000\n0.000000 2.351280 7.399296\nCa Er Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.000000 Er\n0.500000 0.760404 0.243026 Te\n0.000000 0.255015 0.235906 Te\n0.500000 0.239596 0.756974 Te\n0.000000 0.744985 0.764094 Te\n",
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{
"id": "mp-1210383",
"created_at": "2022-09-04T14:41:17.633615Z",
"structure_string": "Rb12 Eu4 Cl24\n1.0\n4.053454 13.261195 0.000000\n-4.053454 13.261195 0.000000\n0.000000 2.172922 12.922141\nRb Eu Cl\n12 4 24\ndirect\n0.303715 0.795455 0.567663 Rb\n0.696285 0.204545 0.432337 Rb\n0.204545 0.696285 0.932337 Rb\n0.795455 0.303715 0.067663 Rb\n0.467339 0.841125 0.854637 Rb\n0.532661 0.158875 0.145363 Rb\n0.158875 0.532661 0.645363 Rb\n0.841125 0.467339 0.354637 Rb\n0.651718 0.025109 0.798739 Rb\n0.348282 0.974891 0.201261 Rb\n0.974891 0.348282 0.701261 Rb\n0.025109 0.651718 0.298739 Rb\n0.782436 0.217564 0.750000 Eu\n0.217564 0.782436 0.250000 Eu\n0.500000 0.000000 0.500000 Eu\n0.000000 0.500000 0.000000 Eu\n0.622293 0.717661 0.582327 Cl\n0.377707 0.282339 0.417673 Cl\n0.282339 0.377707 0.917673 Cl\n0.717661 0.622293 0.082327 Cl\n0.490157 0.390618 0.677418 Cl\n0.509843 0.609382 0.322582 Cl\n0.609382 0.509843 0.822582 Cl\n0.390618 0.490157 0.177418 Cl\n0.786318 0.864743 0.534158 Cl\n0.213682 0.135257 0.465842 Cl\n0.135257 0.213682 0.965842 Cl\n0.864743 0.786318 0.034158 Cl\n0.905728 0.974772 0.195679 Cl\n0.094272 0.025228 0.804321 Cl\n0.025228 0.094272 0.304321 Cl\n0.974772 0.905728 0.695679 Cl\n0.717951 0.162948 0.939056 Cl\n0.282049 0.837052 0.060944 Cl\n0.837052 0.282049 0.560944 Cl\n0.162948 0.717951 0.439056 Cl\n0.356761 0.144495 0.690637 Cl\n0.643239 0.855505 0.309363 Cl\n0.855505 0.643239 0.809363 Cl\n0.144495 0.356761 0.190637 Cl\n",
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"volume": 1389.2243319322301,
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"formula_full": "Rb12 Eu4 Cl24",
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{
"id": "mp-975639",
"created_at": "2022-09-04T14:41:45.270484Z",
"structure_string": "Pr3 Er1\n1.0\n5.179231 0.000000 0.000000\n0.000000 5.179231 0.000000\n0.000000 0.000000 5.179231\nPr Er\n3 1\ndirect\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Er\n",
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{
"id": "mp-7211",
"created_at": "2022-09-04T14:44:57.129099Z",
"structure_string": "Cs2 Pr2 Hg2 Se6\n1.0\n2.216944 -8.192678 0.000000\n2.216944 8.192678 0.000000\n0.000000 0.000000 11.473973\nCs Pr Hg Se\n2 2 2 6\ndirect\n0.255155 0.744845 0.750000 Cs\n0.744845 0.255155 0.250000 Cs\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.458531 0.541469 0.250000 Hg\n0.541469 0.458531 0.750000 Hg\n0.062856 0.937144 0.250000 Se\n0.937144 0.062856 0.750000 Se\n0.621372 0.378628 0.549631 Se\n0.621372 0.378628 0.950369 Se\n0.378628 0.621372 0.049631 Se\n0.378628 0.621372 0.450369 Se\n",
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{
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"structure_string": "K12 Na6 Ga2 Sb8\n1.0\n5.146118 -8.913338 0.000000\n5.146118 8.913338 0.000000\n0.000000 0.000000 10.601335\nK Na Ga Sb\n12 6 2 8\ndirect\n0.414052 0.207026 0.459465 K\n0.792974 0.585948 0.040535 K\n0.207026 0.414052 0.540535 K\n0.585948 0.792974 0.959465 K\n0.207026 0.414052 0.959465 K\n0.207026 0.792974 0.959465 K\n0.792974 0.585948 0.459465 K\n0.207026 0.792974 0.540535 K\n0.792974 0.207026 0.040535 K\n0.585948 0.792974 0.540535 K\n0.414052 0.207026 0.040535 K\n0.792974 0.207026 0.459465 K\n0.230443 0.115222 0.750000 Na\n0.884778 0.769557 0.750000 Na\n0.115222 0.884778 0.250000 Na\n0.769557 0.884778 0.250000 Na\n0.884778 0.115222 0.750000 Na\n0.115222 0.230443 0.250000 Na\n0.333333 0.666667 0.250000 Ga\n0.666667 0.333333 0.750000 Ga\n0.481548 0.963097 0.250000 Sb\n0.518452 0.481548 0.750000 Sb\n0.963097 0.481548 0.750000 Sb\n0.036903 0.518452 0.250000 Sb\n0.481548 0.518452 0.250000 Sb\n0.518452 0.036903 0.750000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
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{
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"created_at": "2022-09-04T14:41:19.629076Z",
"structure_string": "Rb8 Se20\n1.0\n7.064931 0.000000 0.000000\n0.000000 7.337395 0.000000\n0.000000 0.000000 18.762928\nRb Se\n8 20\ndirect\n0.586790 0.241434 0.162168 Rb\n0.623065 0.413542 0.510191 Rb\n0.913210 0.758566 0.662168 Rb\n0.876935 0.586458 0.010191 Rb\n0.123065 0.086458 0.489809 Rb\n0.376935 0.913542 0.989809 Rb\n0.413210 0.741434 0.337832 Rb\n0.086790 0.258566 0.837832 Rb\n0.905030 0.083315 0.018962 Se\n0.428837 0.864141 0.625967 Se\n0.036414 0.874804 0.201945 Se\n0.963586 0.374804 0.298055 Se\n0.258147 0.355870 0.652448 Se\n0.071163 0.135859 0.125967 Se\n0.559774 0.744200 0.160425 Se\n0.536414 0.625196 0.798055 Se\n0.571163 0.364141 0.874033 Se\n0.094970 0.583315 0.481038 Se\n0.594970 0.916685 0.518962 Se\n0.059774 0.755800 0.839575 Se\n0.758147 0.144130 0.347552 Se\n0.928837 0.635859 0.374033 Se\n0.940226 0.255800 0.660425 Se\n0.463586 0.125196 0.701945 Se\n0.741853 0.855870 0.847552 Se\n0.440226 0.244200 0.339575 Se\n0.241853 0.644130 0.152448 Se\n0.405030 0.416685 0.981038 Se\n",
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{
"id": "mp-1080017",
"created_at": "2022-09-04T14:40:57.658197Z",
"structure_string": "Cs2 Na1 La1 Cl6\n1.0\n0.000000 5.579544 5.579544\n5.579544 0.000000 5.579544\n5.579544 5.579544 0.000000\nCs Na La Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.751218 0.248782 0.248782 Cl\n0.248782 0.248782 0.751218 Cl\n0.248782 0.751218 0.751218 Cl\n0.248782 0.751218 0.248782 Cl\n0.751218 0.248782 0.751218 Cl\n0.751218 0.751218 0.248782 Cl\n",
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.59893067,
"band_gap": 4.6183,
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"is_magnetic": false,
"total_magnetization": 0.0011762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.260000Z",
"spacegroup": 225
}
]
}