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{
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"results": [
{
"id": "mp-1096620",
"created_at": "2022-09-04T14:47:24.926145Z",
"structure_string": "Cd2 Pd1 Pt1\n1.0\n-5.207619 5.601993 7.920782\n5.207619 -5.601993 7.920782\n5.207619 5.601993 -7.920782\nCd Pd Pt\n2 1 1\ndirect\n0.000000 0.251196 0.251196 Cd\n0.000000 0.748804 0.748804 Cd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
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{
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{
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"created_at": "2022-09-04T14:47:56.302435Z",
"structure_string": "Li2 Zn2\n1.0\n0.000000 3.087289 3.087289\n3.087289 0.000000 3.087289\n3.087289 3.087289 0.000000\nLi Zn\n2 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"elements": [
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"density": 4.082778097815391,
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"volume": 58.85208482567025,
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"formula_full": "Li2 Zn2",
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"updated_at": "2021-11-28T01:38:21.433000Z",
"spacegroup": 227
},
{
"id": "mp-7592",
"created_at": "2022-09-04T14:41:23.132941Z",
"structure_string": "Ag1 F1\n1.0\n0.000000 2.514648 2.514648\n2.514648 0.000000 2.514648\n2.514648 2.514648 0.000000\nAg F\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Ag-F",
"density": 6.624220955833901,
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"volume": 31.802524744424137,
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"formula_full": "Ag1 F1",
"formula_reduced": "AgF",
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"updated_at": "2021-11-28T01:35:19.210000Z",
"spacegroup": 225
},
{
"id": "mp-1206807",
"created_at": "2022-09-04T14:45:08.342422Z",
"structure_string": "Yb2 Cu1 Sb3\n1.0\n10.397271 0.000000 0.000000\n0.000000 10.397271 0.000000\n0.000000 0.000000 42.075148\nYb Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242511 Yb\n0.500000 0.500000 0.757489 Yb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.690612 Sb\n0.500000 0.500000 0.309388 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cu-Sb-Yb",
"density": 0.28290051702385427,
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"volume": 4548.460000991228,
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"formula_full": "Yb2 Cu1 Sb3",
"formula_reduced": "Yb2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -7.212667469999999,
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"spacegroup": 123
},
{
"id": "mp-1183341",
"created_at": "2022-09-04T14:42:06.201698Z",
"structure_string": "Ba3 Li1\n1.0\n-2.907131 2.907131 6.495933\n2.907131 -2.907131 6.495933\n2.907131 2.907131 -6.495933\nBa Li\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
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"elements": [
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"density": 3.16775462066498,
"density_atomic": 0.018215003485496012,
"volume": 219.59918938171293,
"volume_molar": 33.06143073096432,
"formula_full": "Ba3 Li1",
"formula_reduced": "Ba3Li",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:35.376000Z",
"spacegroup": 139
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{
"id": "mp-808843",
"created_at": "2022-09-04T14:48:15.996961Z",
"structure_string": "V2 O3 F3\n1.0\n5.185264 0.000000 0.000000\n-2.579059 -4.572316 0.000000\n0.021480 2.982946 -4.439797\nV O F\n2 3 3\ndirect\n0.983665 0.053767 0.977613 V\n0.490317 0.088427 0.456404 V\n0.186827 0.410522 0.260766 O\n0.749500 0.543809 0.265841 O\n0.825685 0.550380 0.759225 O\n0.339346 0.983781 0.262240 F\n0.260629 0.413094 0.751094 F\n0.664028 0.956221 0.766818 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.263546793335157,
"density_atomic": 0.07600107991473104,
"volume": 105.26166218921563,
"volume_molar": 7.923756829187829,
"formula_full": "V2 O3 F3",
"formula_reduced": "V2(OF)3",
"formula_anonymous": "A2B3C3",
"energy": -7.21746077,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:49.182000Z",
"spacegroup": 1
},
{
"id": "mp-1094183",
"created_at": "2022-09-04T14:46:14.032772Z",
"structure_string": "Hf1 Mg1\n1.0\n0.000000 3.280508 3.280508\n3.280508 0.000000 3.280508\n3.280508 3.280508 0.000000\nHf Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 2,
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"elements": [
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],
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"density": 4.769282428137999,
"density_atomic": 0.028325442063529258,
"volume": 70.60790068216173,
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"formula_full": "Hf1 Mg1",
"formula_reduced": "HfMg",
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"updated_at": "2021-11-28T01:37:29.290000Z",
"spacegroup": 216
},
{
"id": "mp-1093834",
"created_at": "2022-09-04T14:46:09.776090Z",
"structure_string": "La2 Zn1 Cu1\n1.0\n-5.374953 5.382657 7.867571\n5.374953 -5.382657 7.867571\n5.374953 5.382657 -7.867571\nLa Zn Cu\n2 1 1\ndirect\n0.231542 0.000000 0.231542 La\n0.768458 0.000000 0.768458 La\n0.500000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"density": 0.7418594597231865,
"density_atomic": 0.004393270579276604,
"volume": 910.4834149911705,
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"formula_full": "La2 Zn1 Cu1",
"formula_reduced": "La2ZnCu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:28.702000Z",
"spacegroup": 71
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{
"id": "mp-1183321",
"created_at": "2022-09-04T14:43:52.498326Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n0.000000 4.714125 4.714125\n4.714125 0.000000 4.714125\n4.714125 4.714125 0.000000\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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"density": 2.7948181180168326,
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"volume": 209.52375947694142,
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"formula_full": "Ba1 Sr2 Ca1",
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"updated_at": "2021-11-28T01:36:24.811000Z",
"spacegroup": 225
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{
"id": "mp-1187912",
"created_at": "2022-09-04T14:46:02.469495Z",
"structure_string": "Zn3 Se1\n1.0\n4.146787 0.000000 0.000000\n0.000000 4.146787 0.000000\n0.000000 0.000000 4.146787\nZn Se\n3 1\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "mp-1097607",
"created_at": "2022-09-04T14:46:30.938230Z",
"structure_string": "Li1 Be1 Cu2\n1.0\n-4.684716 4.873069 6.890182\n4.684716 -4.873069 6.890182\n4.684716 4.873069 -6.890182\nLi Be Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Be\n0.000000 0.277974 0.277974 Cu\n0.000000 0.722026 0.722026 Cu\n",
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"volume": 629.1823247488744,
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"formula_full": "Li1 Be1 Cu2",
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"updated_at": "2021-11-28T01:37:43.143000Z",
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}
]
}