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{
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"results": [
{
"id": "mp-1210689",
"created_at": "2022-09-04T14:43:19.996938Z",
"structure_string": "Mg1 H6 Cl2\n1.0\n5.542126 6.183287 0.000000\n-5.542126 6.183287 0.000000\n0.000000 0.057059 3.774271\nMg H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.249705 0.249705 0.609708 H\n0.750295 0.750295 0.390292 H\n0.737029 0.245460 0.405012 H\n0.262971 0.754540 0.594988 H\n0.754540 0.262971 0.594988 H\n0.245460 0.737029 0.405012 H\n0.318141 0.318141 0.865351 Cl\n0.681859 0.681859 0.134649 Cl\n",
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"elements": [
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{
"id": "mp-1096249",
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"elements": [
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{
"id": "mp-1093968",
"created_at": "2022-09-04T14:46:54.393238Z",
"structure_string": "Y2 Zn1 Pt1\n1.0\n-5.620047 5.934433 8.382052\n5.620047 -5.934433 8.382052\n5.620047 5.934433 -8.382052\nY Zn Pt\n2 1 1\ndirect\n0.000000 0.276356 0.276356 Y\n0.000000 0.723644 0.723644 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Y-Zn",
"density": 0.6508721731999433,
"density_atomic": 0.0035770949708106735,
"volume": 1118.225832034167,
"volume_molar": 168.35283404944678,
"formula_full": "Y2 Zn1 Pt1",
"formula_reduced": "Y2ZnPt",
"formula_anonymous": "ABC2",
"energy": -13.37999252,
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"energy_above_hull": null,
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"energy_uncorrected": -13.37999252,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:42.201000Z",
"spacegroup": 71
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{
"id": "mp-1096353",
"created_at": "2022-09-04T14:44:00.039123Z",
"structure_string": "Mn1 V2 Tc1\n1.0\n-4.720688 5.044778 6.821969\n4.720688 -5.044778 6.821969\n4.720688 5.044778 -6.821969\nMn V Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.288555 0.000000 0.288555 V\n0.711445 0.000000 0.711445 V\n0.500000 0.000000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"V",
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"chemical_system": "Mn-Tc-V",
"density": 0.6511293914748638,
"density_atomic": 0.006155210374857154,
"volume": 649.8559360926521,
"volume_molar": 97.83809802178787,
"formula_full": "Mn1 V2 Tc1",
"formula_reduced": "MnV2Tc",
"formula_anonymous": "ABC2",
"energy": -23.74520669,
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"energy_uncorrected": -23.74520669,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:11.938000Z",
"spacegroup": 71
},
{
"id": "mp-1096534",
"created_at": "2022-09-04T14:44:24.183616Z",
"structure_string": "Y1 Zr1 Pd2\n1.0\n-5.070485 5.918497 8.347431\n5.070485 -5.918497 8.347431\n5.070485 5.918497 -8.347431\nY Zr Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Zr\n0.000000 0.245463 0.245463 Pd\n0.000000 0.754537 0.754537 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pd-Y-Zr",
"density": 0.6512302495633532,
"density_atomic": 0.003991960432990706,
"volume": 1002.0139395528205,
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"formula_full": "Y1 Zr1 Pd2",
"formula_reduced": "YZrPd2",
"formula_anonymous": "ABC2",
"energy": -17.12108511,
"energy_per_atom": -4.2802712775,
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"is_stable": null,
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"energy_uncorrected": -17.12108511,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:38.106000Z",
"spacegroup": 71
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{
"id": "mp-1096427",
"created_at": "2022-09-04T14:41:27.511038Z",
"structure_string": "Ga1 Si1 Tc2\n1.0\n-4.826597 5.239461 7.405284\n4.826597 -5.239461 7.405284\n4.826597 5.239461 -7.405284\nGa Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.000000 0.236684 0.236684 Tc\n0.000000 0.763316 0.763316 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Si",
"Tc"
],
"chemical_system": "Ga-Si-Tc",
"density": 0.6513045207316063,
"density_atomic": 0.00533986934050651,
"volume": 749.0819990027289,
"volume_molar": 112.77693096941533,
"formula_full": "Ga1 Si1 Tc2",
"formula_reduced": "GaSiTc2",
"formula_anonymous": "ABC2",
"energy": -18.00246552,
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"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -18.00246552,
"band_gap": 0.3658000000000001,
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"updated_at": "2021-11-28T01:35:22.851000Z",
"spacegroup": 71
},
{
"id": "mp-1096301",
"created_at": "2022-09-04T14:43:56.160369Z",
"structure_string": "Mg1 Ag1 Pd2\n1.0\n-5.115267 5.511502 7.791353\n5.115267 -5.511502 7.791353\n5.115267 5.511502 -7.791353\nMg Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.239693 0.239693 Pd\n0.000000 0.760307 0.760307 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Mg-Pd",
"density": 0.6520391302415862,
"density_atomic": 0.004552488339228503,
"volume": 878.6403614770967,
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"formula_full": "Mg1 Ag1 Pd2",
"formula_reduced": "MgAgPd2",
"formula_anonymous": "ABC2",
"energy": -8.16223618,
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"energy_uncorrected": -8.16223618,
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"updated_at": "2021-11-28T01:36:09.156000Z",
"spacegroup": 71
},
{
"id": "mp-1097477",
"created_at": "2022-09-04T14:43:37.753523Z",
"structure_string": "Sc1 Ge1 Pd2\n1.0\n-4.680240 5.601958 8.023091\n4.680240 -5.601958 8.023091\n4.680240 5.601958 -8.023091\nSc Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ge\n0.000000 0.244295 0.244295 Pd\n0.000000 0.755705 0.755705 Pd\n",
"nsites": 4,
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"density": 0.6521187031573739,
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"volume": 841.413899382032,
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"formula_full": "Sc1 Ge1 Pd2",
"formula_reduced": "ScGePd2",
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"energy_uncorrected": -15.42387755,
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"updated_at": "2021-11-28T01:36:13.656000Z",
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{
"id": "mp-1096477",
"created_at": "2022-09-04T14:45:29.132629Z",
"structure_string": "Y2 Tl1 Pb1\n1.0\n-5.892901 6.654840 9.566712\n5.892901 -6.654840 9.566712\n5.892901 6.654840 -9.566712\nY Tl Pb\n2 1 1\ndirect\n0.000000 0.257122 0.257122 Y\n0.000000 0.742878 0.742878 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.6521779180366645,
"density_atomic": 0.0026654499779182376,
"volume": 1500.6846998209544,
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"formula_full": "Y2 Tl1 Pb1",
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"updated_at": "2021-11-28T01:37:00.736000Z",
"spacegroup": 71
},
{
"id": "mp-1093754",
"created_at": "2022-09-04T14:47:10.613943Z",
"structure_string": "Y1 Sc1 Ru2\n1.0\n-4.600800 5.749450 8.072798\n4.600800 -5.749450 8.072798\n4.600800 5.749450 -8.072798\nY Sc Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242026 0.242026 Ru\n0.000000 0.757974 0.757974 Ru\n",
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"formula_full": "Y1 Sc1 Ru2",
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{
"id": "mp-1192133",
"created_at": "2022-09-04T14:39:09.320180Z",
"structure_string": "Li4 B4 H16\n1.0\n4.402347 0.000000 0.000000\n0.000000 5.837298 0.000000\n0.000000 0.000000 8.613664\nLi B H\n4 4 16\ndirect\n0.750000 0.919260 0.855891 Li\n0.750000 0.580740 0.355891 Li\n0.250000 0.080740 0.144109 Li\n0.250000 0.419260 0.644109 Li\n0.250000 0.348573 0.363743 B\n0.250000 0.151427 0.863743 B\n0.750000 0.651427 0.636257 B\n0.750000 0.848573 0.136257 B\n0.476691 0.318497 0.283216 H\n0.023309 0.181503 0.783216 H\n0.976691 0.681503 0.716784 H\n0.523309 0.818497 0.216784 H\n0.523309 0.681503 0.716784 H\n0.976691 0.818497 0.216784 H\n0.023309 0.318497 0.283216 H\n0.476691 0.181503 0.783216 H\n0.250000 0.208717 0.469452 H\n0.250000 0.291283 0.969452 H\n0.750000 0.791283 0.530548 H\n0.750000 0.708717 0.030548 H\n0.250000 0.547448 0.410959 H\n0.250000 0.952552 0.910959 H\n0.750000 0.452552 0.589041 H\n0.750000 0.047448 0.089041 H\n",
"nsites": 24,
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"elements": [
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"volume": 221.35231240441956,
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"formula_full": "Li4 B4 H16",
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"energy": -99.44191342,
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{
"id": "mp-1097492",
"created_at": "2022-09-04T14:42:08.005232Z",
"structure_string": "Sr2 Pd1 Pt1\n1.0\n-5.435779 6.275193 8.874172\n5.435779 -6.275193 8.874172\n5.435779 6.275193 -8.874172\nSr Pd Pt\n2 1 1\ndirect\n0.000000 0.251289 0.251289 Sr\n0.000000 0.748711 0.748711 Sr\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 0.6538191265503867,
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"volume": 1210.8119885448803,
"volume_molar": 182.29200572281943,
"formula_full": "Sr2 Pd1 Pt1",
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"energy": -11.52522048,
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"updated_at": "2021-11-28T01:35:44.528000Z",
"spacegroup": 71
}
]
}