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{
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"results": [
{
"id": "mp-1096005",
"created_at": "2022-09-04T14:43:24.174576Z",
"structure_string": "Ti2 Mn1 Zn1\n1.0\n-4.992235 5.546555 7.198801\n4.992235 -5.546555 7.198801\n4.992235 5.546555 -7.198801\nTi Mn Zn\n2 1 1\ndirect\n0.744405 0.000000 0.744405 Ti\n0.255595 0.000000 0.255595 Ti\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Zn\n",
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"elements": [
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],
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"density": 0.45001528466385476,
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"formula_full": "Ti2 Mn1 Zn1",
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{
"id": "mp-1093680",
"created_at": "2022-09-04T14:39:42.326284Z",
"structure_string": "Mg1 Cr1 Pt2\n1.0\n-4.773021 5.456624 7.647686\n4.773021 -5.456624 7.647686\n4.773021 5.456624 -7.647686\nMg Cr Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Cr\n0.000000 0.263009 0.263009 Pt\n0.000000 0.736991 0.736991 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cr-Mg-Pt",
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"volume": 796.7231081565915,
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"formula_full": "Mg1 Cr1 Pt2",
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"updated_at": "2021-11-28T01:34:26.001000Z",
"spacegroup": 71
},
{
"id": "mp-1097621",
"created_at": "2022-09-04T14:46:21.260044Z",
"structure_string": "Li1 Mn1 Au2\n1.0\n-5.092877 5.258187 7.435663\n5.092877 -5.258187 7.435663\n5.092877 5.258187 -7.435663\nLi Mn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.252653 0.252653 Au\n0.000000 0.747347 0.747347 Au\n",
"nsites": 4,
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"elements": [
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"Mn",
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],
"chemical_system": "Au-Li-Mn",
"density": 0.950289918685228,
"density_atomic": 0.005022050632735341,
"volume": 796.4873898177597,
"volume_molar": 119.9139793761885,
"formula_full": "Li1 Mn1 Au2",
"formula_reduced": "LiMnAu2",
"formula_anonymous": "ABC2",
"energy": -13.39015932,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -13.39015932,
"band_gap": 0.5226999999999999,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.751000Z",
"spacegroup": 71
},
{
"id": "mp-1096485",
"created_at": "2022-09-04T14:47:09.704463Z",
"structure_string": "Ti2 Nb1 Pt1\n1.0\n-4.648099 5.504962 7.777895\n4.648099 -5.504962 7.777895\n4.648099 5.504962 -7.777895\nTi Nb Pt\n2 1 1\ndirect\n0.000000 0.242777 0.242777 Ti\n0.000000 0.757223 0.757223 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Pt"
],
"chemical_system": "Nb-Pt-Ti",
"density": 0.800417781890706,
"density_atomic": 0.005024677922230094,
"volume": 796.0709247259945,
"volume_molar": 119.85127909108259,
"formula_full": "Ti2 Nb1 Pt1",
"formula_reduced": "Ti2NbPt",
"formula_anonymous": "ABC2",
"energy": -20.07983433,
"energy_per_atom": -5.0199585825,
"energy_above_hull": null,
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"energy_uncorrected": -20.07983433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0713588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.112000Z",
"spacegroup": 71
},
{
"id": "mp-1096512",
"created_at": "2022-09-04T14:44:17.819626Z",
"structure_string": "Nb1 Al1 Tc2\n1.0\n-4.784607 5.424051 7.667391\n4.784607 -5.424051 7.667391\n4.784607 5.424051 -7.667391\nNb Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Al\n0.000000 0.265621 0.265621 Tc\n0.000000 0.734379 0.734379 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Al",
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],
"chemical_system": "Al-Nb-Tc",
"density": 0.6590289244378671,
"density_atomic": 0.005025535597356345,
"volume": 795.9350645340523,
"volume_molar": 119.83082486109369,
"formula_full": "Nb1 Al1 Tc2",
"formula_reduced": "NbAlTc2",
"formula_anonymous": "ABC2",
"energy": -20.99761692,
"energy_per_atom": -5.24940423,
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.99761692,
"band_gap": 0.0207000000000001,
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"is_magnetic": true,
"total_magnetization": 2.9389098,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.460000Z",
"spacegroup": 71
},
{
"id": "mp-1097126",
"created_at": "2022-09-04T14:41:51.040429Z",
"structure_string": "Nb1 Si1 Ru2\n1.0\n-4.480663 5.719819 7.759793\n4.480663 -5.719819 7.759793\n4.480663 5.719819 -7.759793\nNb Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Si\n0.000000 0.255281 0.255281 Ru\n0.000000 0.744719 0.744719 Ru\n",
"nsites": 4,
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"elements": [
"Nb",
"Si",
"Ru"
],
"chemical_system": "Nb-Ru-Si",
"density": 0.6745190354836522,
"density_atomic": 0.005028347655930137,
"volume": 795.4899449489408,
"volume_molar": 119.76381054117932,
"formula_full": "Nb1 Si1 Ru2",
"formula_reduced": "NbSiRu2",
"formula_anonymous": "ABC2",
"energy": -21.28062617,
"energy_per_atom": -5.3201565425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.28062617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9738945,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.489000Z",
"spacegroup": 71
},
{
"id": "mp-1095878",
"created_at": "2022-09-04T14:41:46.170955Z",
"structure_string": "Mn1 Zn2 Pt1\n1.0\n-5.020239 5.344589 7.410698\n5.020239 -5.344589 7.410698\n5.020239 5.344589 -7.410698\nMn Zn Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.261179 0.261179 Zn\n0.000000 0.738821 0.738821 Zn\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"Pt"
],
"chemical_system": "Mn-Pt-Zn",
"density": 0.7951222232270558,
"density_atomic": 0.005029237879994704,
"volume": 795.3491354845622,
"volume_molar": 119.74261118080862,
"formula_full": "Mn1 Zn2 Pt1",
"formula_reduced": "MnZn2Pt",
"formula_anonymous": "ABC2",
"energy": -11.09953894,
"energy_per_atom": -2.774884735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.09953894,
"band_gap": 0.068,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.054000Z",
"spacegroup": 71
},
{
"id": "mp-1095939",
"created_at": "2022-09-04T14:46:01.356685Z",
"structure_string": "Nb1 Tc1 Mo2\n1.0\n-4.557683 5.555418 7.851337\n4.557683 -5.555418 7.851337\n4.557683 5.555418 -7.851337\nNb Tc Mo\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Tc\n0.000000 0.253045 0.253045 Mo\n0.000000 0.746955 0.746955 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tc",
"Mo"
],
"chemical_system": "Mo-Nb-Tc",
"density": 0.7993575971557637,
"density_atomic": 0.005030318967264139,
"volume": 795.1782036150875,
"volume_molar": 119.71687678634994,
"formula_full": "Nb1 Tc1 Mo2",
"formula_reduced": "NbTcMo2",
"formula_anonymous": "ABC2",
"energy": -24.98274233,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -24.98274233,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.551644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.020000Z",
"spacegroup": 71
},
{
"id": "mp-1095923",
"created_at": "2022-09-04T14:41:12.281214Z",
"structure_string": "Sc1 Si1 Ru2\n1.0\n-4.492304 5.589542 7.906346\n4.492304 -5.589542 7.906346\n4.492304 5.589542 -7.906346\nSc Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.000000 0.246334 0.246334 Ru\n0.000000 0.753666 0.753666 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
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"density": 0.5754227431897072,
"density_atomic": 0.005037079695181263,
"volume": 794.1109218157917,
"volume_molar": 119.55619375570132,
"formula_full": "Sc1 Si1 Ru2",
"formula_reduced": "ScSiRu2",
"formula_anonymous": "ABC2",
"energy": -19.44167048,
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"energy_above_hull": null,
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"energy_uncorrected": -19.44167048,
"band_gap": 0.0493999999999998,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.410000Z",
"spacegroup": 71
},
{
"id": "mp-1095759",
"created_at": "2022-09-04T14:40:59.709534Z",
"structure_string": "Mn2 Cr1 Ru1\n1.0\n-5.090876 5.158626 7.558612\n5.090876 -5.158626 7.558612\n5.090876 5.158626 -7.558612\nMn Cr Ru\n2 1 1\ndirect\n0.729457 0.000000 0.729457 Mn\n0.270543 0.000000 0.270543 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 0.5498962621850999,
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"volume": 794.0148147531647,
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"formula_full": "Mn2 Cr1 Ru1",
"formula_reduced": "Mn2CrRu",
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"band_gap": 0.0642,
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"updated_at": "2021-11-28T01:35:09.939000Z",
"spacegroup": 71
},
{
"id": "mp-1095999",
"created_at": "2022-09-04T14:40:51.879234Z",
"structure_string": "Hf2 Os1 Ru1\n1.0\n-4.584658 5.530597 7.819302\n4.584658 -5.530597 7.819302\n4.584658 5.530597 -7.819302\nHf Os Ru\n2 1 1\ndirect\n0.000000 0.247883 0.247883 Hf\n0.000000 0.752117 0.752117 Hf\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"density": 1.3573904351317336,
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"volume": 793.0616263632173,
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"formula_full": "Hf2 Os1 Ru1",
"formula_reduced": "Hf2OsRu",
"formula_anonymous": "ABC2",
"energy": -26.39477985,
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"energy_uncorrected": -26.39477985,
"band_gap": 0.1974,
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"updated_at": "2021-11-28T01:35:15.322000Z",
"spacegroup": 71
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{
"id": "mp-1093590",
"created_at": "2022-09-04T14:43:01.559011Z",
"structure_string": "Ta2 Os1 Pd1\n1.0\n-4.840032 5.368443 7.629767\n4.840032 -5.368443 7.629767\n4.840032 5.368443 -7.629767\nTa Os Pd\n2 1 1\ndirect\n0.000000 0.262690 0.262690 Ta\n0.000000 0.737310 0.737310 Ta\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Os",
"Pd"
],
"chemical_system": "Os-Pd-Ta",
"density": 1.3790093449279224,
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"volume": 792.9902474163032,
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"formula_full": "Ta2 Os1 Pd1",
"formula_reduced": "Ta2OsPd",
"formula_anonymous": "ABC2",
"energy": -24.30618877,
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"energy_above_hull": null,
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"energy_uncorrected": -24.30618877,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:01.450000Z",
"spacegroup": 71
}
]
}