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{
"id": "mp-1097135",
"created_at": "2022-09-04T14:41:04.366046Z",
"structure_string": "Ca2 Tl1 In1\n1.0\n-6.356433 7.968901 11.423965\n6.356433 -7.968901 11.423965\n6.356433 7.968901 -11.423965\nCa Tl In\n2 1 1\ndirect\n0.000000 0.249030 0.249030 Ca\n0.000000 0.750970 0.750970 Ca\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
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"spacegroup": 71
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{
"id": "mp-1186879",
"created_at": "2022-09-04T14:48:01.830314Z",
"structure_string": "Rb3 Sr1\n1.0\n-3.411771 3.411771 6.932460\n3.411771 -3.411771 6.932460\n3.411771 3.411771 -6.932460\nRb Sr\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 Sr\n",
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"density": 1.769823553917926,
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"volume": 322.7803665850919,
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"formula_full": "Rb3 Sr1",
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"updated_at": "2021-11-28T01:38:27.903000Z",
"spacegroup": 139
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{
"id": "mp-673171",
"created_at": "2022-09-04T14:48:17.792638Z",
"structure_string": "Br1\n1.0\n-1.880400 1.880400 1.880400\n1.880400 -1.880400 1.880400\n1.880400 1.880400 -1.880400\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
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"volume": 26.595656729856003,
"volume_molar": 16.016278843183418,
"formula_full": "Br1",
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"energy": -1.00736911,
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"spacegroup": 229
},
{
"id": "mp-974768",
"created_at": "2022-09-04T14:46:24.816906Z",
"structure_string": "Rb4 Mg2\n1.0\n4.053241 -8.919046 0.000000\n4.053241 8.919046 0.000000\n0.000000 0.000000 5.617959\nRb Mg\n4 2\ndirect\n0.591996 0.868070 0.250000 Rb\n0.131930 0.408004 0.750000 Rb\n0.408004 0.131930 0.750000 Rb\n0.868070 0.591996 0.250000 Rb\n0.908593 0.908593 0.750000 Mg\n0.091407 0.091407 0.250000 Mg\n",
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"elements": [
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"density": 1.5963195588575336,
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"volume": 406.19015395445416,
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"formula_full": "Rb4 Mg2",
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"updated_at": "2021-11-28T01:37:31.018000Z",
"spacegroup": 63
},
{
"id": "mp-1097176",
"created_at": "2022-09-04T14:46:52.215564Z",
"structure_string": "Sr1 Li1 Tl2\n1.0\n-6.168236 6.889960 9.761463\n6.168236 -6.889960 9.761463\n6.168236 6.889960 -9.761463\nSr Li Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.222286 0.222286 Tl\n0.000000 0.777714 0.777714 Tl\n",
"nsites": 4,
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"elements": [
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"Li",
"Tl"
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"density": 0.5036713605700279,
"density_atomic": 0.0024105014953931594,
"volume": 1659.405732643028,
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"formula_full": "Sr1 Li1 Tl2",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:43.083000Z",
"spacegroup": 71
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{
"id": "mp-1096478",
"created_at": "2022-09-04T14:47:30.326282Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-6.114135 6.224303 8.874188\n6.114135 -6.224303 8.874188\n6.114135 6.224303 -8.874188\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.258701 0.258701 Hg\n0.000000 0.741299 0.741299 Hg\n",
"nsites": 4,
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"elements": [
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"Sc",
"Hg"
],
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"density": 0.597670902094675,
"density_atomic": 0.002961049211454187,
"volume": 1350.8725165819108,
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"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:09.902000Z",
"spacegroup": 71
},
{
"id": "mp-1093885",
"created_at": "2022-09-04T14:47:09.616965Z",
"structure_string": "La2 Mg1 Zn1\n1.0\n-6.216768 6.495402 9.173490\n6.216768 -6.495402 9.173490\n6.216768 6.495402 -9.173490\nLa Mg Zn\n2 1 1\ndirect\n0.000000 0.265467 0.265467 La\n0.000000 0.734533 0.734533 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"chemical_system": "La-Mg-Zn",
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"volume": 1481.7170502769147,
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"formula_full": "La2 Mg1 Zn1",
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"updated_at": "2021-11-28T01:37:58.258000Z",
"spacegroup": 71
},
{
"id": "mp-1185031",
"created_at": "2022-09-04T14:45:36.473779Z",
"structure_string": "K3 Zn1\n1.0\n5.848737 0.000000 0.000000\n0.000000 5.848737 0.000000\n0.000000 0.000000 5.848737\nK Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"density_atomic": 0.01999280419584158,
"volume": 200.07198394070122,
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"formula_full": "K3 Zn1",
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"spacegroup": 221
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{
"id": "mp-1180991",
"created_at": "2022-09-04T14:39:41.834755Z",
"structure_string": "K5\n1.0\n6.064214 0.000000 0.000000\n0.000000 6.064214 0.000000\n0.000000 0.000000 11.413700\nK\n5\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.695328 K\n0.000000 0.500000 0.695328 K\n0.000000 0.500000 0.304672 K\n0.500000 0.000000 0.304672 K\n",
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"volume_molar": 50.55410064852499,
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{
"id": "mp-1185542",
"created_at": "2022-09-04T14:47:19.209152Z",
"structure_string": "Cs1 K2 Rb1\n1.0\n0.000000 5.587939 5.587939\n5.587939 0.000000 5.587939\n5.587939 5.587939 0.000000\nCs K Rb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cs\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Rb\n",
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{
"id": "mp-1185080",
"created_at": "2022-09-04T14:41:10.747671Z",
"structure_string": "K1 Rb3\n1.0\n7.019450 0.000000 0.000000\n0.000000 7.019450 0.000000\n0.000000 0.000000 7.019450\nK Rb\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
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"updated_at": "2021-11-28T01:35:23.959000Z",
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}
]
}