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{
"id": "mp-1022596",
"created_at": "2022-09-04T14:42:46.565117Z",
"structure_string": "Mg12 Zn2 W2\n1.0\n4.841118 0.000000 0.000000\n0.000000 6.121076 0.000000\n0.000000 0.000000 10.560805\nMg Zn W\n12 2 2\ndirect\n0.000000 0.763595 0.590562 Mg\n0.000000 0.236405 0.590562 Mg\n0.000000 0.000000 0.334372 Mg\n0.500000 0.743674 0.416553 Mg\n0.500000 0.256326 0.416553 Mg\n0.500000 0.000000 0.166299 Mg\n0.000000 0.263595 0.090562 Mg\n0.000000 0.736405 0.090562 Mg\n0.000000 0.500000 0.834372 Mg\n0.500000 0.243674 0.916553 Mg\n0.500000 0.756326 0.916553 Mg\n0.500000 0.500000 0.666299 Mg\n0.000000 0.000000 0.815155 Zn\n0.000000 0.500000 0.315155 Zn\n0.500000 0.000000 0.669943 W\n0.500000 0.500000 0.169943 W\n",
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{
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"created_at": "2022-09-04T14:41:53.670739Z",
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"spacegroup": 160
},
{
"id": "mp-1212164",
"created_at": "2022-09-04T14:41:23.195569Z",
"structure_string": "Hg6 Se4 F4\n1.0\n-4.313979 4.313979 4.313979\n4.313979 -4.313979 4.313979\n4.313979 4.313979 -4.313979\nHg Se F\n6 4 4\ndirect\n0.164599 0.914599 0.250000 Hg\n0.335401 0.585401 0.750000 Hg\n0.914599 0.250000 0.164599 Hg\n0.585401 0.750000 0.335401 Hg\n0.250000 0.164599 0.914599 Hg\n0.750000 0.335401 0.585401 Hg\n0.920470 0.920470 0.920470 Se\n0.579530 0.500000 0.000000 Se\n0.000000 0.579530 0.500000 Se\n0.500000 0.000000 0.579530 Se\n0.476765 0.476765 0.476765 F\n0.023235 0.500000 0.000000 F\n0.000000 0.023235 0.500000 F\n0.500000 0.000000 0.023235 F\n",
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"formula_full": "Hg6 Se4 F4",
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"updated_at": "2021-11-28T01:35:19.612000Z",
"spacegroup": 199
},
{
"id": "mp-1023061",
"created_at": "2022-09-04T14:43:22.448574Z",
"structure_string": "Y2 Mg12 Ni2\n1.0\n4.916279 0.000000 0.000000\n0.000000 5.912704 0.000000\n0.000000 0.000000 12.172622\nY Mg Ni\n2 12 2\ndirect\n0.500000 0.000000 0.189398 Y\n0.500000 0.500000 0.689398 Y\n0.500000 0.247329 0.437793 Mg\n0.500000 0.752671 0.437793 Mg\n0.000000 0.743922 0.079733 Mg\n0.000000 0.256078 0.079733 Mg\n0.000000 0.000000 0.347489 Mg\n0.000000 0.500000 0.295774 Mg\n0.500000 0.747329 0.937793 Mg\n0.500000 0.252671 0.937793 Mg\n0.000000 0.243922 0.579733 Mg\n0.000000 0.756078 0.579733 Mg\n0.000000 0.500000 0.847489 Mg\n0.000000 0.000000 0.795774 Mg\n0.500000 0.500000 0.132283 Ni\n0.500000 0.000000 0.632283 Ni\n",
"nsites": 16,
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"elements": [
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"density": 2.7540746103152136,
"density_atomic": 0.045218191363245314,
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"updated_at": "2021-11-28T01:36:12.026000Z",
"spacegroup": 38
},
{
"id": "mp-1187156",
"created_at": "2022-09-04T14:39:21.322922Z",
"structure_string": "Sr3 Th1\n1.0\n-2.874393 2.874393 5.567190\n2.874393 -2.874393 5.567190\n2.874393 2.874393 -5.567190\nSr Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Th\n",
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"formula_full": "Sr3 Th1",
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"updated_at": "2021-11-28T01:34:42.941000Z",
"spacegroup": 139
},
{
"id": "mp-1206486",
"created_at": "2022-09-04T14:39:27.784044Z",
"structure_string": "Sr1 In5\n1.0\n3.204271 -5.549959 0.000000\n3.204271 5.549959 0.000000\n0.000000 0.000000 5.171793\nSr In\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.500000 In\n0.333333 0.666667 0.000000 In\n0.666667 0.333333 0.000000 In\n",
"nsites": 6,
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"elements": [
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"volume": 183.94591334996443,
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"formula_full": "Sr1 In5",
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"formula_anonymous": "AB5",
"energy": -16.29317012,
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"spacegroup": 191
},
{
"id": "mp-1222490",
"created_at": "2022-09-04T14:45:13.776269Z",
"structure_string": "Li4 Cd5 Sb5\n1.0\n19.487105 -2.362731 0.000000\n19.487105 2.362731 0.000000\n19.200633 0.000000 4.082331\nLi Cd Sb\n4 5 5\ndirect\n0.749641 0.749641 0.749641 Li\n0.149781 0.149781 0.149781 Li\n0.549956 0.549956 0.549956 Li\n0.950613 0.950613 0.950613 Li\n0.049065 0.049065 0.049065 Cd\n0.449106 0.449106 0.449106 Cd\n0.849934 0.849934 0.849934 Cd\n0.249775 0.249775 0.249775 Cd\n0.651345 0.651345 0.651345 Cd\n0.600115 0.600115 0.600115 Sb\n0.800562 0.800562 0.800562 Sb\n0.200051 0.200051 0.200051 Sb\n0.000215 0.000215 0.000215 Sb\n0.399840 0.399840 0.399840 Sb\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Cd-Li-Sb",
"density": 5.294566895816839,
"density_atomic": 0.037241590504747096,
"volume": 375.9237940768253,
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"formula_full": "Li4 Cd5 Sb5",
"formula_reduced": "Li4(CdSb)5",
"formula_anonymous": "A4B5C5",
"energy": -38.01726443,
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"spacegroup": 160
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{
"id": "mp-1186085",
"created_at": "2022-09-04T14:47:57.016798Z",
"structure_string": "Na3 Ta1\n1.0\n-2.363533 2.363533 5.118676\n2.363533 -2.363533 5.118676\n2.363533 2.363533 -5.118676\nNa Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Ta\n",
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"elements": [
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"density": 3.628308867278379,
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"volume": 114.37759821545261,
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"formula_full": "Na3 Ta1",
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"spacegroup": 139
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{
"id": "mp-1194941",
"created_at": "2022-09-04T14:42:09.061184Z",
"structure_string": "Hg16 Bi4 Se8 Cl20\n1.0\n10.683031 0.000000 0.000000\n0.000000 9.728615 0.000000\n0.000000 8.654481 14.605164\nHg Bi Se Cl\n16 4 8 20\ndirect\n0.749478 0.855535 0.046881 Hg\n0.750522 0.855535 0.546881 Hg\n0.250522 0.144465 0.953119 Hg\n0.249478 0.144465 0.453119 Hg\n0.749036 0.170770 0.950355 Hg\n0.750964 0.170770 0.450355 Hg\n0.250964 0.829230 0.049645 Hg\n0.249036 0.829230 0.549645 Hg\n0.745825 0.514822 0.991867 Hg\n0.754175 0.514822 0.491867 Hg\n0.254175 0.485178 0.008133 Hg\n0.245825 0.485178 0.508133 Hg\n0.505594 0.511318 0.646765 Hg\n0.994406 0.511318 0.146765 Hg\n0.494406 0.488682 0.353235 Hg\n0.005594 0.488682 0.853235 Hg\n0.000164 0.017827 0.735173 Bi\n0.499836 0.017827 0.235173 Bi\n0.999836 0.982173 0.264827 Bi\n0.500164 0.982173 0.764827 Bi\n0.756950 0.543646 0.132189 Se\n0.743050 0.543646 0.632189 Se\n0.243050 0.456354 0.867811 Se\n0.256950 0.456354 0.367811 Se\n0.733193 0.482313 0.353283 Se\n0.766807 0.482313 0.853283 Se\n0.266807 0.517687 0.646717 Se\n0.233193 0.517687 0.146717 Se\n0.502302 0.198381 0.826954 Cl\n0.997698 0.198381 0.326954 Cl\n0.497698 0.801619 0.173046 Cl\n0.002302 0.801619 0.673046 Cl\n0.500918 0.787980 0.696734 Cl\n0.999082 0.787980 0.196734 Cl\n0.499082 0.212020 0.303266 Cl\n0.000918 0.212020 0.803266 Cl\n0.536838 0.237053 0.591737 Cl\n0.963162 0.237053 0.091737 Cl\n0.463162 0.762947 0.408263 Cl\n0.036838 0.762947 0.908263 Cl\n0.972719 0.264569 0.559638 Cl\n0.527281 0.264569 0.059638 Cl\n0.027281 0.735431 0.440362 Cl\n0.472719 0.735431 0.940362 Cl\n0.743343 0.936202 0.797239 Cl\n0.756657 0.936202 0.297239 Cl\n0.256657 0.063798 0.202761 Cl\n0.243343 0.063798 0.702761 Cl\n",
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"formula_full": "Hg16 Bi4 Se8 Cl20",
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"spacegroup": 14
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{
"id": "mp-643270",
"created_at": "2022-09-04T14:48:09.216963Z",
"structure_string": "K6 Zn2 H10\n1.0\n-3.790045 3.790045 5.606234\n3.790045 -3.790045 5.606234\n3.790045 3.790045 -5.606234\nK Zn H\n6 2 10\ndirect\n0.182102 0.682102 0.864204 K\n0.817898 0.317898 0.135796 K\n0.682102 0.817898 0.500000 K\n0.317898 0.182102 0.500000 K\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.463304 0.963304 0.749499 H\n0.213804 0.713804 0.250501 H\n0.963304 0.213804 0.500000 H\n0.713804 0.463304 0.500000 H\n0.536696 0.036696 0.250501 H\n0.786196 0.286196 0.749499 H\n0.036696 0.786196 0.500000 H\n0.286196 0.536696 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
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"formula_full": "K6 Zn2 H10",
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{
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{
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]
}