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{
"id": "mp-2673",
"created_at": "2022-09-04T14:48:13.642103Z",
"structure_string": "Yb1 Pb1\n1.0\n3.564859 0.000000 0.000000\n0.000000 3.564859 0.000000\n0.000000 0.000000 4.581978\nYb Pb\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Pb\n",
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{
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{
"id": "mp-1094784",
"created_at": "2022-09-04T14:42:44.480105Z",
"structure_string": "Ca1 Zn3\n1.0\n-2.482988 2.482988 3.116728\n2.482988 -2.482988 3.116728\n2.482988 2.482988 -3.116728\nCa Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.1052130792763055,
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"volume": 76.86137249114334,
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"formula_full": "Ca1 Zn3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:58.578000Z",
"spacegroup": 139
},
{
"id": "mp-979968",
"created_at": "2022-09-04T14:39:32.409887Z",
"structure_string": "Yb2 Cd1 Hg1\n1.0\n0.000000 3.775468 3.775468\n3.775468 0.000000 3.775468\n3.775468 3.775468 0.000000\nYb Cd Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Cd-Hg-Yb",
"density": 10.168233551421288,
"density_atomic": 0.03716358611361884,
"volume": 107.63223946609861,
"volume_molar": 16.20441240947183,
"formula_full": "Yb2 Cd1 Hg1",
"formula_reduced": "Yb2CdHg",
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"updated_at": "2021-11-28T01:34:25.809000Z",
"spacegroup": 225
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{
"id": "mp-1093930",
"created_at": "2022-09-04T14:42:46.105869Z",
"structure_string": "K1 Tl2 Pb1\n1.0\n-6.414574 6.834878 9.445505\n6.414574 -6.834878 9.445505\n6.414574 6.834878 -9.445505\nK Tl Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.275814 0.275814 Tl\n0.000000 0.724186 0.724186 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "K-Pb-Tl",
"density": 0.6566737661778806,
"density_atomic": 0.002414772554407445,
"volume": 1656.4707068163405,
"volume_molar": 249.38749403161734,
"formula_full": "K1 Tl2 Pb1",
"formula_reduced": "KTl2Pb",
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"updated_at": "2021-11-28T01:36:10.624000Z",
"spacegroup": 71
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{
"id": "mp-865907",
"created_at": "2022-09-04T14:46:07.367490Z",
"structure_string": "Li1 Zn3\n1.0\n0.000000 3.068713 3.068713\n3.068713 0.000000 3.068713\n3.068713 3.068713 0.000000\nLi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
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"chemical_system": "Li-Zn",
"density": 5.837213628709853,
"density_atomic": 0.06920877722954219,
"volume": 57.79613742825347,
"volume_molar": 8.701411874431171,
"formula_full": "Li1 Zn3",
"formula_reduced": "LiZn3",
"formula_anonymous": "AB3",
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"band_gap": 0.0,
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"total_magnetization": 3.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.796000Z",
"spacegroup": 225
},
{
"id": "mp-1183658",
"created_at": "2022-09-04T14:42:40.869566Z",
"structure_string": "Cd3 Bi1\n1.0\n-2.377830 2.377830 4.565530\n2.377830 -2.377830 4.565530\n2.377830 2.377830 -4.565530\nCd Bi\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Bi"
],
"chemical_system": "Bi-Cd",
"density": 8.784127916601182,
"density_atomic": 0.03873889200513844,
"volume": 103.25540543259285,
"volume_molar": 15.545464643648572,
"formula_full": "Cd3 Bi1",
"formula_reduced": "Cd3Bi",
"formula_anonymous": "AB3",
"energy": -6.36636463,
"energy_per_atom": -1.5915911575,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.905000Z",
"spacegroup": 139
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{
"id": "mp-2077",
"created_at": "2022-09-04T14:47:20.113053Z",
"structure_string": "Dy1 Mg1\n1.0\n3.786959 0.000000 0.000000\n0.000000 3.786959 0.000000\n0.000000 0.000000 3.786959\nDy Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Mg"
],
"chemical_system": "Dy-Mg",
"density": 5.711705202802205,
"density_atomic": 0.03682630842085167,
"volume": 54.30900043371077,
"volume_molar": 16.35282225733537,
"formula_full": "Dy1 Mg1",
"formula_reduced": "DyMg",
"formula_anonymous": "AB",
"energy": -6.36639595,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:04.171000Z",
"spacegroup": 221
},
{
"id": "mp-1187096",
"created_at": "2022-09-04T14:46:07.959030Z",
"structure_string": "Sr2 Zn1 Hg1\n1.0\n0.000000 3.975331 3.975331\n3.975331 0.000000 3.975331\n3.975331 3.975331 0.000000\nSr Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Sr-Zn",
"density": 5.831403689945403,
"density_atomic": 0.03183538523237563,
"volume": 125.6463514043524,
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"formula_full": "Sr2 Zn1 Hg1",
"formula_reduced": "Sr2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.36651134,
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"updated_at": "2021-11-28T01:37:24.921000Z",
"spacegroup": 225
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{
"id": "mp-1183050",
"created_at": "2022-09-04T14:44:08.864876Z",
"structure_string": "Ba1 Yb3\n1.0\n-2.851113 2.851113 5.836945\n2.851113 -2.851113 5.836945\n2.851113 2.851113 -5.836945\nBa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
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"density": 5.743469409788554,
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"volume": 189.79049262360405,
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"formula_full": "Ba1 Yb3",
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"updated_at": "2021-11-28T01:36:35.749000Z",
"spacegroup": 139
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{
"id": "mp-1094270",
"created_at": "2022-09-04T14:45:02.891531Z",
"structure_string": "Sr3 Mg1\n1.0\n0.000000 4.445928 4.445928\n4.445928 0.000000 4.445928\n4.445928 4.445928 0.000000\nSr Mg\n3 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n",
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"density": 2.7130845778641652,
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"volume": 175.75887790257568,
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"formula_full": "Sr3 Mg1",
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"spacegroup": 225
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{
"id": "mp-1094688",
"created_at": "2022-09-04T14:43:58.650377Z",
"structure_string": "Sr3 Mg1\n1.0\n2.103918 -3.644092 0.000000\n2.103918 3.644092 0.000000\n0.000000 0.000000 12.373348\nSr Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Sr\n0.000000 0.000000 0.284730 Sr\n0.000000 0.000000 0.715270 Sr\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
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"volume": 189.7297197823199,
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"formula_full": "Sr3 Mg1",
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"updated_at": "2021-11-28T01:36:25.140000Z",
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}
]
}