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{
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"results": [
{
"id": "mp-1097360",
"created_at": "2022-09-04T14:39:12.014550Z",
"structure_string": "Ba2 Sb1 I1\n1.0\n-6.570421 6.712476 9.464604\n6.570421 -6.712476 9.464604\n6.570421 6.712476 -9.464604\nBa Sb I\n2 1 1\ndirect\n0.000000 0.234663 0.234663 Ba\n0.000000 0.765337 0.765337 Ba\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 I\n",
"nsites": 4,
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"elements": [
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"density": 0.5204473212666996,
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"volume": 1669.6997528843688,
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"formula_full": "Ba2 Sb1 I1",
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{
"id": "mp-1248716",
"created_at": "2022-09-04T14:41:52.074761Z",
"structure_string": "Al2 Os1 Pd1\n1.0\n-8.232173 -0.003125 -4.757951\n-9.601492 -0.592910 7.132116\n-5.662880 10.547170 0.310236\nAl Os Pd\n2 1 1\ndirect\n0.749568 0.000040 0.000040 Al\n0.250432 0.999960 0.999960 Al\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Os-Pd",
"density": 0.5204355672422981,
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"volume": 1118.6912436374375,
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"formula_full": "Al2 Os1 Pd1",
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"updated_at": "2021-11-28T01:35:34.666000Z",
"spacegroup": 71
},
{
"id": "mp-1096361",
"created_at": "2022-09-04T14:42:40.369276Z",
"structure_string": "Mn1 Si2 Tc1\n1.0\n-4.722668 4.998373 7.073366\n4.722668 -4.998373 7.073366\n4.722668 4.998373 -7.073366\nMn Si Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.251153 0.251153 Si\n0.000000 0.748847 0.748847 Si\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Si-Tc",
"density": 0.519899878834146,
"density_atomic": 0.005989047967825872,
"volume": 667.8857844332927,
"volume_molar": 100.55255513650762,
"formula_full": "Mn1 Si2 Tc1",
"formula_reduced": "MnSi2Tc",
"formula_anonymous": "ABC2",
"energy": -20.43157609,
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"energy_uncorrected": -20.43157609,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.369000Z",
"spacegroup": 71
},
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
"volume_molar": 236.07268430408863,
"formula_full": "Sr2 In1 Hg1",
"formula_reduced": "Sr2InHg",
"formula_anonymous": "ABC2",
"energy": -2.59934461,
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"energy_uncorrected": -2.59934461,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
},
{
"id": "mp-1093611",
"created_at": "2022-09-04T14:39:12.441175Z",
"structure_string": "Li2 Cd1 Rh1\n1.0\n-4.400583 5.386036 7.728558\n4.400583 -5.386036 7.728558\n4.400583 5.386036 -7.728558\nLi Cd Rh\n2 1 1\ndirect\n0.778203 0.000000 0.778203 Li\n0.221797 0.000000 0.221797 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Li-Rh",
"density": 0.5194251072268911,
"density_atomic": 0.005459112709864014,
"volume": 732.7198049551974,
"volume_molar": 110.31354507699861,
"formula_full": "Li2 Cd1 Rh1",
"formula_reduced": "Li2CdRh",
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"energy_uncorrected": -6.44524085,
"band_gap": 0.1512000000000002,
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"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.560000Z",
"spacegroup": 71
},
{
"id": "mp-1248407",
"created_at": "2022-09-04T14:47:57.468733Z",
"structure_string": "Al2 Ni1 Pt1\n1.0\n-8.051024 0.068749 -4.658197\n-9.226010 0.304786 6.708140\n-5.964923 10.283409 0.889141\nAl Ni Pt\n2 1 1\ndirect\n0.750460 0.000035 0.000049 Al\n0.249563 0.999965 0.999938 Al\n0.999977 0.999994 0.999999 Ni\n0.500002 0.000007 0.000014 Pt\n",
"nsites": 4,
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"elements": [
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"Ni",
"Pt"
],
"chemical_system": "Al-Ni-Pt",
"density": 0.5190666617247884,
"density_atomic": 0.004063024182260834,
"volume": 984.4883565950709,
"volume_molar": 148.21818649991476,
"formula_full": "Al2 Ni1 Pt1",
"formula_reduced": "Al2NiPt",
"formula_anonymous": "ABC2",
"energy": -12.87859851,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -12.87859851,
"band_gap": 0.5021,
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"is_magnetic": true,
"total_magnetization": 0.4519516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.722000Z",
"spacegroup": 2
},
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
"nsites": 4,
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"elements": [
"Ti",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Ti",
"density": 0.5190632484374981,
"density_atomic": 0.003351081369983435,
"volume": 1193.6445458558867,
"volume_molar": 179.70738681376062,
"formula_full": "Ti1 Cd1 Pd2",
"formula_reduced": "TiCdPd2",
"formula_anonymous": "ABC2",
"energy": -13.19371494,
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"energy_above_hull": null,
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"energy_uncorrected": -13.19371494,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.106000Z",
"spacegroup": 71
},
{
"id": "mp-1097461",
"created_at": "2022-09-04T14:40:02.642643Z",
"structure_string": "Zr1 Al1 Fe2\n1.0\n-4.556622 5.353902 7.537138\n4.556622 -5.353902 7.537138\n4.556622 5.353902 -7.537138\nZr Al Fe\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.000000 0.263424 0.263424 Fe\n0.000000 0.736576 0.736576 Fe\n",
"nsites": 4,
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"elements": [
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"Al",
"Fe"
],
"chemical_system": "Al-Fe-Zr",
"density": 0.5190387262451697,
"density_atomic": 0.005438512272929688,
"volume": 735.4952603325153,
"volume_molar": 110.73139965088129,
"formula_full": "Zr1 Al1 Fe2",
"formula_reduced": "ZrAlFe2",
"formula_anonymous": "ABC2",
"energy": -17.66606024,
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"energy_above_hull": null,
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"energy_uncorrected": -17.66606024,
"band_gap": 0.0239999999999995,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.363000Z",
"spacegroup": 71
},
{
"id": "mp-1093829",
"created_at": "2022-09-04T14:40:05.071979Z",
"structure_string": "Ca1 Y1 Pd2\n1.0\n-5.312662 6.036785 8.534989\n5.312662 -6.036785 8.534989\n5.312662 6.036785 -8.534989\nCa Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.267382 0.267382 Pd\n0.000000 0.732618 0.732618 Pd\n",
"nsites": 4,
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"elements": [
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"Y",
"Pd"
],
"chemical_system": "Ca-Pd-Y",
"density": 0.5184067011327166,
"density_atomic": 0.0036532478657967707,
"volume": 1094.91612585329,
"volume_molar": 164.84347575705968,
"formula_full": "Ca1 Y1 Pd2",
"formula_reduced": "CaYPd2",
"formula_anonymous": "ABC2",
"energy": -14.17599708,
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"energy_above_hull": null,
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"energy_uncorrected": -14.17599708,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.893000Z",
"spacegroup": 71
},
{
"id": "mp-1097206",
"created_at": "2022-09-04T14:47:16.508708Z",
"structure_string": "Sc2 Ag1 Sn1\n1.0\n-5.481252 5.680899 8.139391\n5.481252 -5.680899 8.139391\n5.481252 5.680899 -8.139391\nSc Ag Sn\n2 1 1\ndirect\n0.000000 0.255020 0.255020 Sc\n0.000000 0.744980 0.744980 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Ag",
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"chemical_system": "Ag-Sc-Sn",
"density": 0.518394496884579,
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"volume": 1013.7917207832253,
"volume_molar": 152.62991109698,
"formula_full": "Sc2 Ag1 Sn1",
"formula_reduced": "Sc2AgSn",
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"energy": -12.11729009,
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"energy_uncorrected": -12.11729009,
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"updated_at": "2021-11-28T01:38:06.859000Z",
"spacegroup": 71
},
{
"id": "mp-1097584",
"created_at": "2022-09-04T14:41:25.909386Z",
"structure_string": "Y1 Ga1 Ag2\n1.0\n-5.616284 6.185913 8.645701\n5.616284 -6.185913 8.645701\n5.616284 6.185913 -8.645701\nY Ga Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.233413 0.233413 Ag\n0.000000 0.766587 0.766587 Ag\n",
"nsites": 4,
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"elements": [
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"density": 0.5174061122000428,
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"volume": 1201.4703888193148,
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"formula_full": "Y1 Ga1 Ag2",
"formula_reduced": "YGaAg2",
"formula_anonymous": "ABC2",
"energy": -8.73236137,
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"energy_above_hull": null,
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"energy_uncorrected": -8.73236137,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.402000Z",
"spacegroup": 71
},
{
"id": "mp-1093827",
"created_at": "2022-09-04T14:46:24.556704Z",
"structure_string": "Li1 Zr2 Ru1\n1.0\n-5.240927 5.627969 7.904926\n5.240927 -5.627969 7.904926\n5.240927 5.627969 -7.904926\nLi Zr Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.288173 0.288173 Zr\n0.000000 0.711827 0.711827 Zr\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Zr",
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],
"chemical_system": "Li-Ru-Zr",
"density": 0.5171497607480341,
"density_atomic": 0.004288865078102225,
"volume": 932.6476648619487,
"volume_molar": 140.413387932099,
"formula_full": "Li1 Zr2 Ru1",
"formula_reduced": "LiZr2Ru",
"formula_anonymous": "ABC2",
"energy": -16.63680719,
"energy_per_atom": -4.1592017975,
"energy_above_hull": null,
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"energy_uncorrected": -16.63680719,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.9999514,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.370000Z",
"spacegroup": 71
}
]
}