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{
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"results": [
{
"id": "mp-1185274",
"created_at": "2022-09-04T14:46:16.095357Z",
"structure_string": "Li1 Np3\n1.0\n-2.241643 2.241643 3.160325\n2.241643 -2.241643 3.160325\n2.241643 2.241643 -3.160325\nLi Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.249999 0.500000 Np\n0.249999 0.749999 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
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{
"id": "mp-974415",
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"structure_string": "Re3 Pb1\n1.0\n0.000000 3.235373 3.235373\n3.235373 0.000000 3.235373\n3.235373 3.235373 0.000000\nRe Pb\n3 1\ndirect\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Pb\n",
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"spacegroup": 225
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{
"id": "mp-20644",
"created_at": "2022-09-04T14:41:20.741614Z",
"structure_string": "Pu2 Pt4\n1.0\n0.000000 3.827314 3.827314\n3.827314 0.000000 3.827314\n3.827314 3.827314 0.000000\nPu Pt\n2 4\ndirect\n0.500000 0.500000 0.500000 Pu\n0.750000 0.750000 0.750000 Pu\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
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"density": 18.783267315160586,
"density_atomic": 0.05351049552028545,
"volume": 112.12753576025926,
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"formula_full": "Pu2 Pt4",
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"formula_anonymous": "AB2",
"energy": -54.25749701,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:16.893000Z",
"spacegroup": 227
},
{
"id": "mp-1186413",
"created_at": "2022-09-04T14:43:59.601270Z",
"structure_string": "Pa1 Re3\n1.0\n-2.149329 2.149329 3.774574\n2.149329 -2.149329 3.774574\n2.149329 2.149329 -3.774574\nPa Re\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.749998 0.250000 0.499998 Re\n0.250000 0.749998 0.499998 Re\n0.500001 0.500001 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Re"
],
"chemical_system": "Pa-Re",
"density": 18.79982422363402,
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"volume": 69.74831694442308,
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"formula_full": "Pa1 Re3",
"formula_reduced": "PaRe3",
"formula_anonymous": "AB3",
"energy": -45.64606857,
"energy_per_atom": -11.4115171425,
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"updated_at": "2021-11-28T01:36:27.068000Z",
"spacegroup": 139
},
{
"id": "mp-865022",
"created_at": "2022-09-04T14:48:05.998817Z",
"structure_string": "Mn2 Ir6\n1.0\n2.725935 -4.721458 0.000000\n2.725935 4.721458 0.000000\n0.000000 0.000000 4.332908\nMn Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Mn\n0.666667 0.333333 0.250000 Mn\n0.168892 0.337785 0.250000 Ir\n0.662215 0.831108 0.250000 Ir\n0.168892 0.831108 0.250000 Ir\n0.831108 0.662215 0.750000 Ir\n0.337785 0.168892 0.750000 Ir\n0.831108 0.168892 0.750000 Ir\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Ir-Mn",
"density": 18.80669977004368,
"density_atomic": 0.07172802896567132,
"volume": 111.53241090493034,
"volume_molar": 8.39579847214562,
"formula_full": "Mn2 Ir6",
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"energy": -72.66810917,
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"energy_uncorrected": -72.66810917,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:26.645000Z",
"spacegroup": 194
},
{
"id": "mp-1077534",
"created_at": "2022-09-04T14:39:42.931469Z",
"structure_string": "Pa1 Pt5\n1.0\n0.000000 3.761722 3.761722\n3.761722 0.000000 3.761722\n3.761722 3.761722 0.000000\nPa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Pa\n0.250000 0.250000 0.250000 Pt\n0.624561 0.624561 0.126318 Pt\n0.624561 0.126318 0.624561 Pt\n0.126318 0.624561 0.624561 Pt\n0.624561 0.624561 0.624561 Pt\n",
"nsites": 6,
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"elements": [
"Pa",
"Pt"
],
"chemical_system": "Pa-Pt",
"density": 18.817869617644078,
"density_atomic": 0.05635872553247897,
"volume": 106.46088859021945,
"volume_molar": 10.685374275416324,
"formula_full": "Pa1 Pt5",
"formula_reduced": "PaPt5",
"formula_anonymous": "AB5",
"energy": -44.34960674,
"energy_per_atom": -7.391601123333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -44.34960674,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 3.46e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.632000Z",
"spacegroup": 216
},
{
"id": "mp-974584",
"created_at": "2022-09-04T14:46:08.855337Z",
"structure_string": "Re1 Au3\n1.0\n-2.104451 2.104451 3.869979\n2.104451 -2.104451 3.869979\n2.104451 2.104451 -3.869979\nRe Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
],
"chemical_system": "Au-Re",
"density": 18.82276927634531,
"density_atomic": 0.05834635840523111,
"volume": 68.55612088451052,
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"formula_full": "Re1 Au3",
"formula_reduced": "ReAu3",
"formula_anonymous": "AB3",
"energy": -19.64574374,
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"energy_uncorrected": -19.64574374,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.306000Z",
"spacegroup": 139
},
{
"id": "mp-1223830",
"created_at": "2022-09-04T14:43:23.440134Z",
"structure_string": "Hf2 B1 Ir6\n1.0\n4.096919 0.000000 0.000000\n0.000000 4.096919 0.000000\n0.000000 0.000000 7.990465\nHf B Ir\n2 1 6\ndirect\n0.000000 0.000000 0.986964 Hf\n0.000000 0.000000 0.513036 Hf\n0.500000 0.500000 0.250000 B\n0.000000 0.500000 0.250000 Ir\n0.000000 0.500000 0.750000 Ir\n0.500000 0.500000 0.989203 Ir\n0.500000 0.500000 0.510797 Ir\n0.500000 0.000000 0.250000 Ir\n0.500000 0.000000 0.750000 Ir\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "B-Hf-Ir",
"density": 18.832937122116526,
"density_atomic": 0.06710512669608486,
"volume": 134.11791979412342,
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"formula_full": "Hf2 B1 Ir6",
"formula_reduced": "Hf2BIr6",
"formula_anonymous": "AB2C6",
"energy": -86.70132434,
"energy_per_atom": -9.633480482222222,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:18.548000Z",
"spacegroup": 123
},
{
"id": "mp-1080388",
"created_at": "2022-09-04T14:48:08.318118Z",
"structure_string": "Pu1 Pt5\n1.0\n-3.772878 -3.772878 0.000000\n-3.772878 0.000000 -3.772878\n0.000000 -3.772878 -3.772878\nPu Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.750000 0.750000 Pt\n0.873710 0.375430 0.375430 Pt\n0.375430 0.873710 0.375430 Pt\n0.375430 0.375430 0.873710 Pt\n0.375430 0.375430 0.375430 Pt\n",
"nsites": 6,
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"elements": [
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],
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"volume": 107.41088176371235,
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"formula_full": "Pu1 Pt5",
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"energy": -45.82719892,
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"updated_at": "2021-11-28T01:38:26.226000Z",
"spacegroup": 216
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{
"id": "mp-91",
"created_at": "2022-09-04T14:43:55.560345Z",
"structure_string": "W1\n1.0\n-1.593707 1.593707 1.593707\n1.593707 -1.593707 1.593707\n1.593707 1.593707 -1.593707\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n",
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"updated_at": "2021-11-28T01:36:25.617000Z",
"spacegroup": 229
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{
"id": "mp-1205768",
"created_at": "2022-09-04T14:43:07.296368Z",
"structure_string": "Zr1 Pt8\n1.0\n-4.249480 4.249480 2.013244\n4.249480 -4.249480 2.013244\n4.249480 4.249480 -2.013244\nZr Pt\n1 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.332704 0.000000 0.332704 Pt\n0.667296 0.000000 0.667296 Pt\n0.000000 0.332704 0.332704 Pt\n0.000000 0.667296 0.667296 Pt\n0.334646 0.334646 0.669292 Pt\n0.665354 0.665354 0.330708 Pt\n0.665354 0.334646 0.000000 Pt\n0.334646 0.665354 0.000000 Pt\n",
"nsites": 9,
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"volume": 145.42128702360472,
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"formula_full": "Zr1 Pt8",
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{
"id": "mp-1030",
"created_at": "2022-09-04T14:42:49.787669Z",
"structure_string": "Sb1 Pt7\n1.0\n0.000000 4.030074 4.030074\n4.030074 0.000000 4.030074\n4.030074 4.030074 0.000000\nSb Pt\n1 7\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
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"elements": [
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"volume": 130.90886509201047,
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"formula_full": "Sb1 Pt7",
"formula_reduced": "SbPt7",
"formula_anonymous": "AB7",
"energy": -47.37741962,
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"updated_at": "2021-11-28T01:35:51.072000Z",
"spacegroup": 225
}
]
}