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{
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"results": [
{
"id": "mp-631517",
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"structure_string": "Ba1 Be1 Ga1\n1.0\n0.000000 3.669426 3.669426\n3.669426 0.000000 3.669426\n3.669426 3.669426 0.000000\nBa Be Ga\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Ga\n",
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{
"id": "mp-1094791",
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"spacegroup": 221
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{
"id": "mp-1186771",
"created_at": "2022-09-04T14:40:23.458763Z",
"structure_string": "Sr1 Yb3\n1.0\n0.000000 4.390469 4.390469\n4.390469 0.000000 4.390469\n4.390469 4.390469 0.000000\nSr Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
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"elements": [
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"volume": 169.26327548337912,
"volume_molar": 25.48318176148915,
"formula_full": "Sr1 Yb3",
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"updated_at": "2021-11-28T01:34:51.634000Z",
"spacegroup": 225
},
{
"id": "mp-22867",
"created_at": "2022-09-04T14:47:23.322523Z",
"structure_string": "Rb1 Br1\n1.0\n0.000000 3.513965 3.513965\n3.513965 0.000000 3.513965\n3.513965 3.513965 0.000000\nRb Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Br-Rb",
"density": 3.1643773032979565,
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"volume": 86.78052839266779,
"volume_molar": 26.1302278603911,
"formula_full": "Rb1 Br1",
"formula_reduced": "RbBr",
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"energy": -6.67465091,
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"updated_at": "2021-11-28T01:38:06.841000Z",
"spacegroup": 225
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{
"id": "mp-1094302",
"created_at": "2022-09-04T14:43:35.274740Z",
"structure_string": "Sr1 Mg3\n1.0\n-1.813083 2.984066 5.582814\n1.813083 -2.984066 5.582814\n1.813083 2.984066 -5.582814\nSr Mg\n1 3\ndirect\n0.654092 0.000000 0.654092 Sr\n0.164032 0.500000 0.664032 Mg\n0.248725 0.241120 0.007605 Mg\n0.766485 0.758880 0.007605 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mg-Sr",
"density": 2.2063762264184454,
"density_atomic": 0.033107068762827416,
"volume": 120.8201193725491,
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"formula_full": "Sr1 Mg3",
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"updated_at": "2021-11-28T01:36:17.899000Z",
"spacegroup": 44
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{
"id": "mp-1063224",
"created_at": "2022-09-04T14:44:23.233341Z",
"structure_string": "Ho1 Hg2\n1.0\n-1.930202 1.930202 4.994571\n1.930202 -1.930202 4.994571\n1.930202 1.930202 -4.994571\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.332652 0.332652 0.000000 Hg\n0.667348 0.667348 0.000000 Hg\n",
"nsites": 3,
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"elements": [
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"Hg"
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"density": 12.629508931473767,
"density_atomic": 0.04030487231250039,
"volume": 74.43268835439437,
"volume_molar": 14.941470880512522,
"formula_full": "Ho1 Hg2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:37.940000Z",
"spacegroup": 139
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{
"id": "mp-170",
"created_at": "2022-09-04T14:41:51.921371Z",
"structure_string": "Ho1 Cd1\n1.0\n3.735261 0.000000 0.000000\n0.000000 3.735261 0.000000\n0.000000 0.000000 3.735261\nHo Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-Ho",
"density": 8.836917806236025,
"density_atomic": 0.038376656555968267,
"volume": 52.115014164488585,
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"formula_full": "Ho1 Cd1",
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"energy": -6.14173149,
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"energy_above_hull": null,
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"energy_uncorrected": -6.14173149,
"band_gap": 0.0,
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"total_magnetization": 0.0068638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.322000Z",
"spacegroup": 221
},
{
"id": "mp-1096535",
"created_at": "2022-09-04T14:40:42.051270Z",
"structure_string": "Tl2 Hg1 Bi1\n1.0\n-5.793842 6.365098 8.988672\n5.793842 -6.365098 8.988672\n5.793842 6.365098 -8.988672\nTl Hg Bi\n2 1 1\ndirect\n0.000000 0.256862 0.256862 Tl\n0.000000 0.743138 0.743138 Tl\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
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"chemical_system": "Bi-Hg-Tl",
"density": 1.024835163734308,
"density_atomic": 0.0030167041763666845,
"volume": 1325.950363756779,
"volume_molar": 199.62649328291315,
"formula_full": "Tl2 Hg1 Bi1",
"formula_reduced": "Tl2HgBi",
"formula_anonymous": "ABC2",
"energy": -6.14235483,
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"energy_above_hull": null,
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"energy_uncorrected": -6.14235483,
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"updated_at": "2021-11-28T01:35:05.461000Z",
"spacegroup": 71
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{
"id": "mp-1093965",
"created_at": "2022-09-04T14:40:11.093926Z",
"structure_string": "Na2 Tl1 As1\n1.0\n-6.140253 6.611468 9.443766\n6.140253 -6.611468 9.443766\n6.140253 6.611468 -9.443766\nNa Tl As\n2 1 1\ndirect\n0.000000 0.234269 0.234269 Na\n0.000000 0.765731 0.765731 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"chemical_system": "As-Na-Tl",
"density": 0.3522272968231147,
"density_atomic": 0.0026083785269363498,
"volume": 1533.5197551630545,
"volume_molar": 230.87679559581625,
"formula_full": "Na2 Tl1 As1",
"formula_reduced": "Na2TlAs",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:55.346000Z",
"spacegroup": 71
},
{
"id": "mp-1094301",
"created_at": "2022-09-04T14:45:28.494517Z",
"structure_string": "Sr2 Mg4\n1.0\n6.813098 0.000000 0.000000\n0.000000 6.813098 0.000000\n0.000000 0.000000 6.438142\nSr Mg\n2 4\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.347678 0.347678 0.000000 Mg\n0.652322 0.652322 0.000000 Mg\n0.152322 0.847678 0.500000 Mg\n0.847678 0.152322 0.500000 Mg\n",
"nsites": 6,
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"density": 1.5139168637143985,
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"volume": 298.8476348534733,
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"formula_full": "Sr2 Mg4",
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"energy": -6.144665120000001,
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"updated_at": "2021-11-28T01:37:06.528000Z",
"spacegroup": 136
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{
"id": "mp-1184551",
"created_at": "2022-09-04T14:41:27.024324Z",
"structure_string": "Hg3 Pt1\n1.0\n4.344221 0.000000 0.000000\n0.000000 4.344221 0.000000\n0.000000 0.000000 4.344221\nHg Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
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"density": 16.13957604751042,
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"volume": 81.98525125327471,
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"formula_full": "Hg3 Pt1",
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"updated_at": "2021-11-28T01:35:16.061000Z",
"spacegroup": 221
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{
"id": "mp-1016283",
"created_at": "2022-09-04T14:42:07.881227Z",
"structure_string": "Sr1 Mg3\n1.0\n3.481915 0.000000 0.000000\n0.000000 5.444842 0.000000\n0.000000 0.000000 6.303416\nSr Mg\n1 3\ndirect\n0.500000 0.000000 0.161739 Sr\n0.000000 0.000000 0.656331 Mg\n0.000000 0.500000 0.373382 Mg\n0.500000 0.500000 0.808548 Mg\n",
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"formula_full": "Sr1 Mg3",
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"updated_at": "2021-11-28T01:35:32.859000Z",
"spacegroup": 25
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]
}