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{
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"results": [
{
"id": "mp-1093721",
"created_at": "2022-09-04T14:45:57.407177Z",
"structure_string": "Sc1 Hg2 Pd1\n1.0\n-5.589114 5.810132 8.316804\n5.589114 -5.810132 8.316804\n5.589114 5.810132 -8.316804\nSc Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.264683 0.264683 Hg\n0.000000 0.735317 0.735317 Hg\n0.000000 0.500000 0.500000 Pd\n",
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"elements": [
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"density": 0.8493367231190112,
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"volume": 1080.3026095319601,
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{
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"created_at": "2022-09-04T14:43:16.491050Z",
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"nsites": 4,
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"elements": [
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"chemical_system": "Fe-Hf-Mn",
"density": 0.718595247545659,
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"volume": 1080.912812584278,
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"formula_full": "Hf2 Mn1 Fe1",
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"updated_at": "2021-11-28T01:36:08.468000Z",
"spacegroup": 139
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{
"id": "mp-1095962",
"created_at": "2022-09-04T14:39:57.693005Z",
"structure_string": "Li1 Ag2 Bi1\n1.0\n-5.430922 5.936887 8.390992\n5.430922 -5.936887 8.390992\n5.430922 5.936887 -8.390992\nLi Ag Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.241651 0.241651 Ag\n0.000000 0.758349 0.758349 Ag\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Li",
"density": 0.6623431418314778,
"density_atomic": 0.003696190485063141,
"volume": 1082.19530788919,
"volume_molar": 162.92831184800602,
"formula_full": "Li1 Ag2 Bi1",
"formula_reduced": "LiAg2Bi",
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"energy": -6.67762912,
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"energy_above_hull": null,
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"energy_uncorrected": -6.67762912,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.448000Z",
"spacegroup": 71
},
{
"id": "mp-1096582",
"created_at": "2022-09-04T14:47:08.380314Z",
"structure_string": "Sc2 Cu1 Hg1\n1.0\n-5.437066 5.931803 8.390638\n5.437066 -5.931803 8.390638\n5.437066 5.931803 -8.390638\nSc Cu Hg\n2 1 1\ndirect\n0.000000 0.231749 0.231749 Sc\n0.000000 0.768251 0.768251 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Sc",
"density": 0.543131169292508,
"density_atomic": 0.0036953339430813126,
"volume": 1082.4461500939872,
"volume_molar": 162.96607702465195,
"formula_full": "Sc2 Cu1 Hg1",
"formula_reduced": "Sc2CuHg",
"formula_anonymous": "ABC2",
"energy": -9.18390953,
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"energy_uncorrected": -9.18390953,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.588000Z",
"spacegroup": 71
},
{
"id": "mp-1095908",
"created_at": "2022-09-04T14:48:24.178546Z",
"structure_string": "Ca2 Cu1 Pd1\n1.0\n-5.413710 5.947556 8.405684\n5.413710 -5.947556 8.405684\n5.413710 5.947556 -8.405684\nCa Cu Pd\n2 1 1\ndirect\n0.000000 0.262346 0.262346 Ca\n0.000000 0.737654 0.737654 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Cu-Pd",
"density": 0.3836493014346153,
"density_atomic": 0.003694821081733465,
"volume": 1082.596399532114,
"volume_molar": 162.9886976062897,
"formula_full": "Ca2 Cu1 Pd1",
"formula_reduced": "Ca2CuPd",
"formula_anonymous": "ABC2",
"energy": -8.89352326,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0001387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:34.166000Z",
"spacegroup": 71
},
{
"id": "mp-1096643",
"created_at": "2022-09-04T14:40:31.009098Z",
"structure_string": "Li1 Tl2 Pd1\n1.0\n-5.508908 5.904297 8.334859\n5.508908 -5.904297 8.334859\n5.508908 5.904297 -8.334859\nLi Tl Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.263325 0.263325 Tl\n0.000000 0.736675 0.736675 Tl\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pd"
],
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"density": 0.7995281971448454,
"density_atomic": 0.0036886549161233434,
"volume": 1084.4061293225743,
"volume_molar": 163.26115879468264,
"formula_full": "Li1 Tl2 Pd1",
"formula_reduced": "LiTl2Pd",
"formula_anonymous": "ABC2",
"energy": -7.97990497,
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"energy_uncorrected": -7.97990497,
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"total_magnetization": 0.0035694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.447000Z",
"spacegroup": 71
},
{
"id": "mp-1097656",
"created_at": "2022-09-04T14:40:57.164901Z",
"structure_string": "Ca1 La1 Pd2\n1.0\n-5.481465 5.945296 8.334516\n5.481465 -5.945296 8.334516\n5.481465 5.945296 -8.334516\nCa La Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.279140 0.279140 Pd\n0.000000 0.720860 0.720860 Pd\n",
"nsites": 4,
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"elements": [
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"La",
"Pd"
],
"chemical_system": "Ca-La-Pd",
"density": 0.5988651498948457,
"density_atomic": 0.0036817092454125553,
"volume": 1086.4518986620244,
"volume_molar": 163.56915656779915,
"formula_full": "Ca1 La1 Pd2",
"formula_reduced": "CaLaPd2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.578000Z",
"spacegroup": 71
},
{
"id": "mp-1093798",
"created_at": "2022-09-04T14:40:23.624710Z",
"structure_string": "Mg1 Zr1 Zn2\n1.0\n-5.671327 5.863030 8.168669\n5.671327 -5.863030 8.168669\n5.671327 5.863030 -8.168669\nMg Zr Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.251637 0.251637 Zn\n0.000000 0.748363 0.748363 Zn\n",
"nsites": 4,
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"elements": [
"Mg",
"Zr",
"Zn"
],
"chemical_system": "Mg-Zn-Zr",
"density": 0.3765115300544824,
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"volume": 1086.4708907600163,
"volume_molar": 163.57201589498504,
"formula_full": "Mg1 Zr1 Zn2",
"formula_reduced": "MgZrZn2",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -4.94451163,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.400000Z",
"spacegroup": 71
},
{
"id": "mp-1096080",
"created_at": "2022-09-04T14:47:06.211312Z",
"structure_string": "Y2 Ga1 Cu1\n1.0\n-5.634239 5.841064 8.256048\n5.634239 -5.841064 8.256048\n5.634239 5.841064 -8.256048\nY Ga Cu\n2 1 1\ndirect\n0.000000 0.249463 0.249463 Y\n0.000000 0.750537 0.750537 Y\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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"elements": [
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"Ga",
"Cu"
],
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"density": 0.4752944402525065,
"density_atomic": 0.003680446935647439,
"volume": 1086.8245270044486,
"volume_molar": 163.62525707603027,
"formula_full": "Y2 Ga1 Cu1",
"formula_reduced": "Y2GaCu",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -11.33028701,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.857000Z",
"spacegroup": 71
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{
"id": "mp-1093700",
"created_at": "2022-09-04T14:43:34.190270Z",
"structure_string": "Ca1 Y1 Pt2\n1.0\n-5.261134 6.045164 8.550689\n5.261134 -6.045164 8.550689\n5.261134 6.045164 -8.550689\nCa Y Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.263083 0.263083 Pt\n0.000000 0.736917 0.736917 Pt\n",
"nsites": 4,
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"volume": 1087.7987436499902,
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"formula_full": "Ca1 Y1 Pt2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:16.673000Z",
"spacegroup": 71
},
{
"id": "mp-1097666",
"created_at": "2022-09-04T14:46:28.549730Z",
"structure_string": "La2 Ir1 Pt1\n1.0\n-5.112417 6.139412 8.671663\n5.112417 -6.139412 8.671663\n5.112417 6.139412 -8.671663\nLa Ir Pt\n2 1 1\ndirect\n0.000000 0.243457 0.243457 La\n0.000000 0.756543 0.756543 La\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 1.0144447747819438,
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"volume": 1088.7180726713455,
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"formula_full": "La2 Ir1 Pt1",
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"updated_at": "2021-11-28T01:37:36.831000Z",
"spacegroup": 71
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{
"id": "mp-1093857",
"created_at": "2022-09-04T14:39:58.831223Z",
"structure_string": "Y2 Ru1 Au1\n1.0\n-5.290431 6.036104 8.533308\n5.290431 -6.036104 8.533308\n5.290431 6.036104 -8.533308\nY Ru Au\n2 1 1\ndirect\n0.000000 0.222937 0.222937 Y\n0.000000 0.777063 0.777063 Y\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Au"
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"density": 0.7249238866667858,
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"volume": 1089.9966948001647,
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"formula_full": "Y2 Ru1 Au1",
"formula_reduced": "Y2RuAu",
"formula_anonymous": "ABC2",
"energy": -18.23554476,
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"energy_uncorrected": -18.23554476,
"band_gap": 0.0,
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"total_magnetization": 0.0033317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.803000Z",
"spacegroup": 71
}
]
}