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{
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"results": [
{
"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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{
"id": "mp-1097108",
"created_at": "2022-09-04T14:39:26.714260Z",
"structure_string": "K2 Hg1 Te1\n1.0\n-6.225600 6.950955 8.197967\n6.225600 -6.950955 8.197967\n6.225600 6.950955 -8.197967\nK Hg Te\n2 1 1\ndirect\n0.220283 0.000000 0.220283 K\n0.779717 0.000000 0.779717 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
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"elements": [
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"updated_at": "2021-11-28T01:34:25.573000Z",
"spacegroup": 71
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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,
"volume_molar": 18.18989413753734,
"formula_full": "Sr1 Mg3",
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"energy": -6.14143585,
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"energy_uncorrected": -6.14143585,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.899000Z",
"spacegroup": 44
},
{
"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": [
"Ho",
"Hg"
],
"chemical_system": "Hg-Ho",
"density": 12.629508931473767,
"density_atomic": 0.04030487231250039,
"volume": 74.43268835439437,
"volume_molar": 14.941470880512522,
"formula_full": "Ho1 Hg2",
"formula_reduced": "HoHg2",
"formula_anonymous": "AB2",
"energy": -6.14154226,
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"band_gap": 0.0,
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"total_magnetization": 0.0010369,
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"updated_at": "2021-11-28T01:36:37.940000Z",
"spacegroup": 139
},
{
"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,
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"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 8.836917806236025,
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"volume": 52.115014164488585,
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"formula_full": "Ho1 Cd1",
"formula_reduced": "HoCd",
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"energy": -6.14173149,
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"band_gap": 0.0,
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"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"
],
"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,
"energy_per_atom": -1.5355887075,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -6.14235483,
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"updated_at": "2021-11-28T01:35:05.461000Z",
"spacegroup": 71
},
{
"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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"Tl",
"As"
],
"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",
"energy": -6.14303967,
"energy_per_atom": -1.5357599175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -6.14303967,
"band_gap": 0.0161999999999999,
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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,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.5139168637143985,
"density_atomic": 0.020077120579996673,
"volume": 298.8476348534733,
"volume_molar": 29.995042048011637,
"formula_full": "Sr2 Mg4",
"formula_reduced": "SrMg2",
"formula_anonymous": "AB2",
"energy": -6.144665120000001,
"energy_per_atom": -1.0241108533333334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:06.528000Z",
"spacegroup": 136
},
{
"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",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Pt",
"density": 16.13957604751042,
"density_atomic": 0.04878926317665251,
"volume": 81.98525125327471,
"volume_molar": 12.343168082279668,
"formula_full": "Hg3 Pt1",
"formula_reduced": "Hg3Pt",
"formula_anonymous": "AB3",
"energy": -6.14785446,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:16.061000Z",
"spacegroup": 221
},
{
"id": "mp-22922",
"created_at": "2022-09-04T14:43:13.335905Z",
"structure_string": "Ag1 Cl1\n1.0\n0.000000 2.811198 2.811198\n2.811198 0.000000 2.811198\n2.811198 2.811198 0.000000\nAg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ag-Cl",
"density": 5.356180845292489,
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"volume": 44.4328633677782,
"volume_molar": 13.379047878530397,
"formula_full": "Ag1 Cl1",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy": -6.14884946,
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"updated_at": "2021-11-28T01:36:03.435000Z",
"spacegroup": 225
},
{
"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",
"nsites": 4,
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"elements": [
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"density": 2.230690991029404,
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"volume": 119.50316746185179,
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"formula_full": "Sr1 Mg3",
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"energy": -6.14951566,
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"updated_at": "2021-11-28T01:35:32.859000Z",
"spacegroup": 25
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{
"id": "mp-1096031",
"created_at": "2022-09-04T14:41:18.384171Z",
"structure_string": "Ba2 Tl1 Au1\n1.0\n-6.443685 7.192707 10.172107\n6.443685 -7.192707 10.172107\n6.443685 7.192707 -10.172107\nBa Tl Au\n2 1 1\ndirect\n0.000000 0.239943 0.239943 Ba\n0.000000 0.760057 0.760057 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 0.5952517717279715,
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"volume": 1885.8084712433952,
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"formula_full": "Ba2 Tl1 Au1",
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"energy": -6.14991754,
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"updated_at": "2021-11-28T01:35:14.267000Z",
"spacegroup": 71
}
]
}