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{
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{
"id": "mp-1227351",
"created_at": "2022-09-04T14:46:25.783900Z",
"structure_string": "Ca2 Ga7 Ag1\n1.0\n4.314653 0.000000 0.000000\n0.000000 4.314653 0.000000\n0.000000 0.000000 11.071440\nCa Ga Ag\n2 7 1\ndirect\n0.500000 0.000000 0.750020 Ca\n0.000000 0.500000 0.249980 Ca\n0.000000 0.500000 0.861490 Ga\n0.500000 0.000000 0.362339 Ga\n0.500000 0.000000 0.138510 Ga\n0.000000 0.500000 0.637661 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ag\n",
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{
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{
"id": "mp-1026411",
"created_at": "2022-09-04T14:39:17.257670Z",
"structure_string": "Mg14 Sb1 C1\n1.0\n6.281796 0.000000 0.000000\n-3.140898 5.440194 0.000000\n0.000000 0.000000 9.976773\nMg Sb C\n14 1 1\ndirect\n0.158421 0.829210 0.125000 Mg\n0.169410 0.834705 0.625000 Mg\n0.670790 0.341579 0.125000 Mg\n0.665295 0.330590 0.625000 Mg\n0.670790 0.829210 0.125000 Mg\n0.665295 0.834705 0.625000 Mg\n0.329510 0.170490 0.354963 Mg\n0.329510 0.170490 0.895037 Mg\n0.329510 0.659020 0.354963 Mg\n0.329510 0.659020 0.895037 Mg\n0.840980 0.170490 0.354963 Mg\n0.840980 0.170490 0.895037 Mg\n0.833333 0.666667 0.374793 Mg\n0.833333 0.666667 0.875207 Mg\n0.166667 0.333333 0.625000 Sb\n0.166667 0.333333 0.125000 C\n",
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"spacegroup": 187
},
{
"id": "mp-568745",
"created_at": "2022-09-04T14:46:11.845406Z",
"structure_string": "Rb8 Te4\n1.0\n6.127743 0.000000 0.000000\n0.000000 8.163573 0.000000\n0.000000 0.000000 10.671190\nRb Te\n8 4\ndirect\n0.250000 0.502448 0.742361 Rb\n0.750000 0.497552 0.257639 Rb\n0.750000 0.759708 0.582793 Rb\n0.250000 0.740292 0.082793 Rb\n0.250000 0.240292 0.417207 Rb\n0.250000 0.002448 0.757639 Rb\n0.750000 0.259708 0.917207 Rb\n0.750000 0.997552 0.242361 Rb\n0.250000 0.746735 0.415479 Te\n0.750000 0.753265 0.915479 Te\n0.250000 0.246735 0.084521 Te\n0.750000 0.253265 0.584521 Te\n",
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"elements": [
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"formula_full": "Rb8 Te4",
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"updated_at": "2021-11-28T01:37:20.912000Z",
"spacegroup": 62
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{
"id": "mp-38238",
"created_at": "2022-09-04T14:45:15.619660Z",
"structure_string": "Ag6 O3\n1.0\n4.239124 0.000000 0.000000\n1.965633 4.785578 0.000000\n1.729597 1.032868 8.284056\nAg O\n6 3\ndirect\n0.629618 0.702443 0.128324 Ag\n0.254351 0.260998 0.274443 Ag\n0.132490 0.114650 0.646605 Ag\n0.743274 0.761875 0.777629 Ag\n0.888866 0.776735 0.432933 Ag\n0.436321 0.268624 0.907582 Ag\n0.176996 0.621167 0.104845 O\n0.939126 0.309041 0.855376 O\n0.329460 0.894969 0.444762 O\n",
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"O"
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"density": 6.869259737164115,
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"volume": 168.05581551149785,
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"formula_full": "Ag6 O3",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.278000Z",
"spacegroup": 1
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{
"id": "mp-1246179",
"created_at": "2022-09-04T14:39:07.111653Z",
"structure_string": "Li2 Os1 N2\n1.0\n3.272272 0.170740 0.031545\n-1.488271 2.577761 0.000000\n0.052204 0.030139 5.234118\nLi Os N\n2 1 2\ndirect\n0.691238 0.345618 0.364452 Li\n0.308762 0.654382 0.635548 Li\n0.000000 0.000000 0.000000 Os\n0.645875 0.322937 0.790361 N\n0.354125 0.677063 0.209639 N\n",
"nsites": 5,
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"density": 8.476184164329625,
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"volume": 45.47486080732612,
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"formula_full": "Li2 Os1 N2",
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"updated_at": "2021-11-28T01:34:42.497000Z",
"spacegroup": 12
},
{
"id": "mp-1247370",
"created_at": "2022-09-04T14:46:05.623212Z",
"structure_string": "Ba2 Mn1 N2\n1.0\n4.128530 0.000000 0.000000\n0.000000 4.147898 0.000000\n-2.064266 -2.073949 6.571108\nBa Mn N\n2 1 2\ndirect\n0.141267 0.141267 0.782535 Ba\n0.858733 0.858733 0.217465 Ba\n0.500000 0.500000 0.500000 Mn\n0.631691 0.631691 0.763381 N\n0.368309 0.368309 0.236619 N\n",
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"formula_full": "Ba2 Mn1 N2",
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"updated_at": "2021-11-28T01:37:20.096000Z",
"spacegroup": 139
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{
"id": "mp-1079797",
"created_at": "2022-09-04T14:47:55.293450Z",
"structure_string": "Sm3 Cd3 Cu3\n1.0\n3.822972 -6.621582 0.000000\n3.822972 6.621582 0.000000\n0.000000 0.000000 3.965014\nSm Cd Cu\n3 3 3\ndirect\n0.413229 0.413229 0.500000 Sm\n0.586771 0.000000 0.500000 Sm\n0.000000 0.586771 0.500000 Sm\n0.751052 0.751052 0.000000 Cd\n0.248948 0.000000 0.000000 Cd\n0.000000 0.248948 0.000000 Cd\n0.666667 0.333333 0.000000 Cu\n0.333333 0.666667 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 9,
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"volume": 200.74170086834502,
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"formula_full": "Sm3 Cd3 Cu3",
"formula_reduced": "SmCdCu",
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"spacegroup": 189
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{
"id": "mp-1226907",
"created_at": "2022-09-04T14:47:10.379580Z",
"structure_string": "Cd3 Fe1 S4\n1.0\n4.096727 0.000000 0.000000\n0.000000 4.096727 0.000000\n0.000000 0.000000 11.641501\nCd Fe S\n3 1 4\ndirect\n0.000000 0.000000 0.764818 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.235182 Cd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.367392 S\n0.500000 0.000000 0.101422 S\n0.000000 0.500000 0.898578 S\n0.500000 0.000000 0.632608 S\n",
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{
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"formula_full": "Yb1 Mn2 As2",
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{
"id": "mp-1221624",
"created_at": "2022-09-04T14:42:21.178846Z",
"structure_string": "Mn1 Al1 V2\n1.0\n0.000000 2.974174 2.974174\n2.974174 0.000000 2.974174\n2.974174 2.974174 0.000000\nMn Al V\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 V\n",
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"volume": 52.61736722999949,
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"formula_full": "Mn1 Al1 V2",
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"spacegroup": 216
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{
"id": "mp-1186172",
"created_at": "2022-09-04T14:41:37.237888Z",
"structure_string": "Na1 Eu3\n1.0\n-2.733647 2.733647 5.938777\n2.733647 -2.733647 5.938777\n2.733647 2.733647 -5.938777\nNa Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
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"formula_full": "Na1 Eu3",
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]
}