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{
"id": "mp-1079828",
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"structure_string": "Ir2 C8\n1.0\n3.821276 0.000000 0.000000\n0.000000 4.147571 0.000000\n0.000000 0.936130 5.493753\nIr C\n2 8\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.169381 0.307848 0.235056 C\n0.669381 0.692152 0.264944 C\n0.830619 0.692152 0.764944 C\n0.330619 0.307848 0.735056 C\n0.579863 0.451918 0.891872 C\n0.079863 0.548082 0.608128 C\n0.420137 0.548082 0.108128 C\n0.920137 0.451918 0.391872 C\n",
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{
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{
"id": "mp-1001827",
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"structure_string": "Ir1 C1\n1.0\n1.525126 -2.641596 0.000000\n1.525126 2.641596 0.000000\n0.000000 0.000000 2.673382\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.500000 C\n",
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},
{
"id": "mp-1079286",
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"structure_string": "Ir1 C4\n1.0\n3.438299 0.000000 0.000000\n0.000000 3.438299 0.000000\n0.000000 0.000000 4.404035\nIr C\n1 4\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.797528 0.500000 C\n0.500000 0.202472 0.500000 C\n0.797528 0.500000 0.500000 C\n0.202472 0.500000 0.500000 C\n",
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"spacegroup": 123
},
{
"id": "mp-1184780",
"created_at": "2022-09-04T14:39:20.715044Z",
"structure_string": "Ir4 C12\n1.0\n2.606977 0.000000 0.000000\n0.000000 4.338807 0.000000\n0.000000 0.000000 13.628790\nIr C\n4 12\ndirect\n0.250000 0.023240 0.161742 Ir\n0.750000 0.523240 0.338258 Ir\n0.250000 0.476760 0.661742 Ir\n0.750000 0.976760 0.838258 Ir\n0.250000 0.895272 0.303812 C\n0.750000 0.395272 0.196188 C\n0.250000 0.604728 0.803812 C\n0.750000 0.104728 0.696188 C\n0.250000 0.466510 0.977426 C\n0.750000 0.966510 0.522574 C\n0.250000 0.033490 0.477426 C\n0.750000 0.533490 0.022574 C\n0.250000 0.153532 0.373857 C\n0.750000 0.653532 0.126143 C\n0.250000 0.346468 0.873857 C\n0.750000 0.846468 0.626143 C\n",
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"density": 9.834523694810548,
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"volume": 154.15756135349528,
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"formula_full": "Ir4 C12",
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"formula_anonymous": "AB3",
"energy": -134.31403241,
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"updated_at": "2021-11-28T01:34:35.909000Z",
"spacegroup": 62
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{
"id": "mp-1017519",
"created_at": "2022-09-04T14:39:15.027933Z",
"structure_string": "Ir1 C1\n1.0\n2.730070 0.000000 0.000000\n0.000000 2.730070 0.000000\n0.000000 0.000000 2.730070\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 C\n",
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"updated_at": "2021-11-28T01:34:39.776000Z",
"spacegroup": 221
},
{
"id": "mp-27397",
"created_at": "2022-09-04T14:46:36.058270Z",
"structure_string": "Ir2 Br6\n1.0\n5.607678 3.240924 0.000000\n-5.607678 3.240924 0.000000\n0.000000 2.080226 6.656612\nIr Br\n2 6\ndirect\n0.166716 0.833284 0.000000 Ir\n0.833284 0.166716 0.000000 Ir\n0.921412 0.567129 0.791067 Br\n0.432871 0.078588 0.208933 Br\n0.787062 0.787062 0.209010 Br\n0.212938 0.212938 0.790990 Br\n0.567129 0.921412 0.791067 Br\n0.078588 0.432871 0.208933 Br\n",
"nsites": 8,
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"formula_full": "Ir2 Br6",
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{
"id": "mp-622511",
"created_at": "2022-09-04T14:42:13.506420Z",
"structure_string": "In18 Te27\n1.0\n0.000000 9.487204 9.487204\n9.487204 0.000000 9.487204\n9.487204 9.487204 0.000000\nIn Te\n18 27\ndirect\n0.095039 0.746462 0.746462 In\n0.418604 0.418604 0.081396 In\n0.412037 0.746462 0.746462 In\n0.746462 0.746462 0.095039 In\n0.412037 0.095039 0.746462 In\n0.095039 0.746462 0.412037 In\n0.746462 0.412037 0.095039 In\n0.081396 0.081396 0.418604 In\n0.095039 0.412037 0.746462 In\n0.418604 0.081396 0.418604 In\n0.418604 0.081396 0.081396 In\n0.746462 0.095039 0.746462 In\n0.746462 0.746462 0.412037 In\n0.412037 0.746462 0.095039 In\n0.746462 0.095039 0.412037 In\n0.081396 0.418604 0.081396 In\n0.081396 0.418604 0.418604 In\n0.746462 0.412037 0.746462 In\n0.652255 0.347745 0.347745 Te\n0.652255 0.347745 0.652255 Te\n0.652255 0.652255 0.347745 Te\n0.302519 0.680547 0.008467 Te\n0.674165 0.674165 0.674165 Te\n0.343108 0.970676 0.343108 Te\n0.008467 0.680547 0.302519 Te\n0.680547 0.302519 0.008467 Te\n0.302519 0.008467 0.680547 Te\n0.008467 0.680547 0.008467 Te\n0.977506 0.674165 0.674165 Te\n0.008467 0.302519 0.008467 Te\n0.674165 0.674165 0.977506 Te\n0.343108 0.343108 0.970676 Te\n0.000000 0.000000 0.000000 Te\n0.680547 0.008467 0.302519 Te\n0.347745 0.652255 0.652255 Te\n0.347745 0.652255 0.347745 Te\n0.970676 0.343108 0.343108 Te\n0.674165 0.977506 0.674165 Te\n0.302519 0.008467 0.008467 Te\n0.008467 0.302519 0.680547 Te\n0.680547 0.008467 0.008467 Te\n0.347745 0.347745 0.652255 Te\n0.343108 0.343108 0.343108 Te\n0.008467 0.008467 0.680547 Te\n0.008467 0.008467 0.302519 Te\n",
"nsites": 45,
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"formula_full": "In18 Te27",
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},
{
"id": "mp-541885",
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"structure_string": "In3 Te4\n1.0\n13.903006 -2.170288 0.000000\n13.903006 2.170288 0.000000\n13.564219 0.000000 3.743751\nIn Te\n3 4\ndirect\n0.000000 0.000000 0.000000 In\n0.426633 0.426633 0.426633 In\n0.573367 0.573367 0.573367 In\n0.128768 0.128768 0.128768 Te\n0.871232 0.871232 0.871232 Te\n0.290607 0.290607 0.290607 Te\n0.709393 0.709393 0.709393 Te\n",
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{
"id": "mp-1224450",
"created_at": "2022-09-04T14:42:27.286160Z",
"structure_string": "In2 Te3\n1.0\n2.283399 -3.954964 0.000000\n2.283399 3.954964 0.000000\n0.000000 0.000000 10.641325\nIn Te\n2 3\ndirect\n0.000000 0.000000 0.968715 In\n0.666667 0.333333 0.381187 In\n0.000000 0.000000 0.248861 Te\n0.666667 0.333333 0.634624 Te\n0.333333 0.666667 0.849946 Te\n",
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{
"id": "mp-1197742",
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"structure_string": "In12 Te30\n1.0\n2.189755 8.645434 0.000000\n-2.189755 8.645434 0.000000\n0.000000 7.728387 41.773145\nIn Te\n12 30\ndirect\n0.063648 0.947664 0.556275 In\n0.052336 0.936352 0.943725 In\n0.936352 0.052336 0.443725 In\n0.947664 0.063648 0.056275 In\n0.420525 0.307820 0.610902 In\n0.692180 0.579475 0.889098 In\n0.579475 0.692180 0.389098 In\n0.307820 0.420525 0.110902 In\n0.824935 0.581397 0.721922 In\n0.418603 0.175065 0.778078 In\n0.175065 0.418603 0.278078 In\n0.581397 0.824935 0.221922 In\n0.014743 0.905028 0.625740 Te\n0.094972 0.985257 0.874260 Te\n0.985257 0.094972 0.374260 Te\n0.905028 0.014743 0.125740 Te\n0.466071 0.355087 0.541118 Te\n0.644913 0.533929 0.958882 Te\n0.533929 0.644913 0.458882 Te\n0.355087 0.466071 0.041118 Te\n0.229192 0.174395 0.630519 Te\n0.825605 0.770808 0.869481 Te\n0.770808 0.825605 0.369481 Te\n0.174395 0.229192 0.130519 Te\n0.754708 0.615048 0.581195 Te\n0.384952 0.245292 0.918805 Te\n0.245292 0.384952 0.418805 Te\n0.615048 0.754708 0.081195 Te\n0.193477 0.138850 0.532455 Te\n0.861150 0.806523 0.967545 Te\n0.806523 0.861150 0.467545 Te\n0.138850 0.193477 0.032455 Te\n0.430866 0.193787 0.708281 Te\n0.806213 0.569134 0.791719 Te\n0.569134 0.806213 0.291719 Te\n0.193787 0.430866 0.208281 Te\n0.642330 0.480533 0.700499 Te\n0.519467 0.357670 0.799501 Te\n0.357670 0.519467 0.299501 Te\n0.480533 0.642330 0.200499 Te\n0.133527 0.866473 0.750000 Te\n0.866473 0.133527 0.250000 Te\n",
"nsites": 42,
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{
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"structure_string": "In1 Te1\n1.0\n0.000000 3.142123 3.142123\n3.142123 0.000000 3.142123\n3.142123 3.142123 0.000000\nIn Te\n1 1\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Te\n",
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]
}