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{
"id": "mp-1076974",
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"structure_string": "Th4 Tl2\n1.0\n-3.958814 3.958814 3.033688\n3.958814 -3.958814 3.033688\n3.958814 3.958814 -3.033688\nTh Tl\n4 2\ndirect\n0.153058 0.653058 0.806117 Th\n0.846942 0.346942 0.193883 Th\n0.346942 0.153058 0.500000 Th\n0.653058 0.846942 0.500000 Th\n0.250000 0.250000 0.000000 Tl\n0.750000 0.750000 0.000000 Tl\n",
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{
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{
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"nsites": 12,
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"volume": 481.9429634508173,
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"formula_full": "Cd4 I8",
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"updated_at": "2021-11-28T01:39:21.026000Z",
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},
{
"id": "mp-1064405",
"created_at": "2022-09-04T14:48:27.698089Z",
"structure_string": "Zn2 Bi2\n1.0\n2.353272 -4.075987 0.000000\n2.353272 4.075987 0.000000\n0.000000 0.000000 6.355445\nZn Bi\n2 2\ndirect\n0.333333 0.666667 0.537404 Zn\n0.666667 0.333333 0.037404 Zn\n0.333333 0.666667 0.080596 Bi\n0.666667 0.333333 0.580596 Bi\n",
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"updated_at": "2021-11-28T01:39:25.123000Z",
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{
"id": "mp-2426",
"created_at": "2022-09-04T14:48:27.365754Z",
"structure_string": "Li1 Ag1\n1.0\n3.192020 0.000000 0.000000\n0.000000 3.192020 0.000000\n0.000000 0.000000 3.192020\nLi Ag\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n",
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"updated_at": "2021-11-28T01:39:40.808000Z",
"spacegroup": 221
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{
"id": "mp-754401",
"created_at": "2022-09-04T14:48:27.541397Z",
"structure_string": "Al4 O6\n1.0\n2.770164 -4.864367 0.000000\n2.770164 4.864367 0.000000\n0.000000 0.000000 4.968741\nAl O\n4 6\ndirect\n0.004598 0.670634 0.931139 Al\n0.670634 0.004598 0.931139 Al\n0.329366 0.995402 0.431139 Al\n0.995402 0.329366 0.431139 Al\n0.228431 0.228431 0.494320 O\n0.097757 0.660364 0.585571 O\n0.660364 0.097757 0.585571 O\n0.339636 0.902243 0.085571 O\n0.902243 0.339636 0.085571 O\n0.771569 0.771569 0.994320 O\n",
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"density": 2.5287517158520476,
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"volume": 133.90850751354498,
"volume_molar": 8.064158812080853,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
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"energy": -78.47957841,
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"updated_at": "2021-11-28T01:39:13.371000Z",
"spacegroup": 36
},
{
"id": "mp-1039355",
"created_at": "2022-09-04T14:48:27.379540Z",
"structure_string": "Ce2 Mg4\n1.0\n1.571153 -2.721316 0.000000\n1.571153 2.721316 0.000000\n0.000000 0.000000 17.085246\nCe Mg\n2 4\ndirect\n0.000000 0.000000 0.172871 Ce\n0.000000 0.000000 0.827129 Ce\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.343890 Mg\n0.666667 0.333333 0.000000 Mg\n0.666667 0.333333 0.656110 Mg\n",
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{
"id": "mp-2525",
"created_at": "2022-09-04T14:48:30.155672Z",
"structure_string": "Pr1 Ag1\n1.0\n3.796421 0.000000 0.000000\n0.000000 3.796421 0.000000\n0.000000 0.000000 3.796421\nPr Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1186408",
"created_at": "2022-09-04T14:48:27.526587Z",
"structure_string": "Pa2 Si6\n1.0\n2.955182 -5.118525 0.000000\n2.955182 5.118525 0.000000\n0.000000 0.000000 4.513511\nPa Si\n2 6\ndirect\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n0.856135 0.143865 0.750000 Si\n0.287730 0.143865 0.750000 Si\n0.856135 0.712270 0.750000 Si\n0.143865 0.856135 0.250000 Si\n0.712270 0.856135 0.250000 Si\n0.143865 0.287730 0.250000 Si\n",
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{
"id": "mp-1075810",
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"structure_string": "Mg3 Si2\n1.0\n4.279717 0.000000 0.000000\n-2.080018 4.809644 0.000000\n-1.967671 -1.639364 4.723363\nMg Si\n3 2\ndirect\n0.002266 0.293803 0.707432 Mg\n0.997734 0.706197 0.292568 Mg\n0.500000 0.000000 0.000000 Mg\n0.721346 0.705554 0.709511 Si\n0.278654 0.294446 0.290489 Si\n",
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{
"id": "mp-1216519",
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"structure_string": "Tl1 Hg1\n1.0\n5.872553 -1.727203 0.000000\n5.872553 1.727203 0.000000\n5.364557 0.000000 2.948158\nTl Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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{
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"updated_at": "2021-11-28T01:39:23.223000Z",
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}
]
}