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{
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{
"id": "mp-1186898",
"created_at": "2022-09-04T14:43:39.965821Z",
"structure_string": "Rb1 Yb1\n1.0\n2.129637 -3.688639 0.000000\n2.129637 3.688639 0.000000\n0.000000 0.000000 7.575161\nRb Yb\n1 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.666667 0.333333 0.000000 Yb\n",
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{
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{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
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"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-982780",
"created_at": "2022-09-04T14:42:49.240253Z",
"structure_string": "K3 Cd1\n1.0\n5.952904 0.000000 0.000000\n0.000000 5.952904 0.000000\n0.000000 0.000000 5.952904\nK Cd\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 1.8081506460964707,
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"volume": 210.9534521373957,
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"formula_full": "K3 Cd1",
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"updated_at": "2021-11-28T01:35:52.093000Z",
"spacegroup": 221
},
{
"id": "mp-975043",
"created_at": "2022-09-04T14:45:40.243249Z",
"structure_string": "Rb3 Ca1\n1.0\n-3.298006 3.298006 6.795757\n3.298006 -3.298006 6.795757\n3.298006 3.298006 -6.795757\nRb Ca\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"density": 1.6651211413656577,
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"formula_full": "Rb3 Ca1",
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"updated_at": "2021-11-28T01:37:16.822000Z",
"spacegroup": 139
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{
"id": "mp-1093762",
"created_at": "2022-09-04T14:44:11.804447Z",
"structure_string": "K1 Na2 Pb1\n1.0\n-5.874457 6.842160 8.814197\n5.874457 -6.842160 8.814197\n5.874457 6.842160 -8.814197\nK Na Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.277970 0.000000 0.277970 Na\n0.722030 0.000000 0.722030 Na\n0.500000 0.000000 0.500000 Pb\n",
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"density": 0.3424847871945752,
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"volume": 1417.1104451262918,
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"formula_full": "K1 Na2 Pb1",
"formula_reduced": "KNa2Pb",
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"updated_at": "2021-11-28T01:36:29.564000Z",
"spacegroup": 71
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{
"id": "mp-983062",
"created_at": "2022-09-04T14:46:14.252810Z",
"structure_string": "K3 Cd1\n1.0\n0.000000 4.685085 4.685085\n4.685085 0.000000 4.685085\n4.685085 4.685085 0.000000\nK Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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"density": 1.8545512025177564,
"density_atomic": 0.019448117600895307,
"volume": 205.67543255784597,
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"energy": -4.14184849,
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"updated_at": "2021-11-28T01:37:27.034000Z",
"spacegroup": 225
},
{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"Zn",
"Cd"
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"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
"density_atomic": 0.004031553514578053,
"volume": 992.1733608486267,
"volume_molar": 149.37519093381758,
"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.13688763,
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"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
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{
"id": "mp-1096174",
"created_at": "2022-09-04T14:48:23.657456Z",
"structure_string": "Y1 Zn2 Cd1\n1.0\n-5.685727 6.042807 8.485349\n5.685727 -6.042807 8.485349\n5.685727 6.042807 -8.485349\nY Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.257187 0.257187 Zn\n0.000000 0.742813 0.742813 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"density": 0.4729433433547035,
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"formula_full": "Y1 Zn2 Cd1",
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"updated_at": "2021-11-28T01:39:28.384000Z",
"spacegroup": 71
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{
"id": "mp-1227541",
"created_at": "2022-09-04T14:47:28.967368Z",
"structure_string": "Ca1\n1.0\n3.629484 0.000000 -0.060509\n0.000000 3.625656 0.000000\n-0.007781 0.000000 22.217814\nCa\n1\ndirect\n0.000000 0.500000 0.250000 Ca\n",
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"spacegroup": 123
},
{
"id": "mp-1097394",
"created_at": "2022-09-04T14:48:15.644719Z",
"structure_string": "La2 Zn1 Cd1\n1.0\n-5.401408 6.148133 8.105306\n5.401408 -6.148133 8.105306\n5.401408 6.148133 -8.105306\nLa Zn Cd\n2 1 1\ndirect\n0.759328 0.000000 0.759328 La\n0.240672 0.000000 0.240672 La\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
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{
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"structure_string": "Cs1 K3\n1.0\n0.000000 5.510101 5.510101\n5.510101 0.000000 5.510101\n5.510101 5.510101 0.000000\nCs K\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n",
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}