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{
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"results": [
{
"id": "mp-1097225",
"created_at": "2022-09-04T14:47:07.659335Z",
"structure_string": "Mg2 Ga1 Pb1\n1.0\n-5.625234 6.224710 8.778309\n5.625234 -6.224710 8.778309\n5.625234 6.224710 -8.778309\nMg Ga Pb\n2 1 1\ndirect\n0.000000 0.247753 0.247753 Mg\n0.000000 0.752247 0.752247 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n",
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"volume": 1229.50577115871,
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"formula_full": "Mg2 Ga1 Pb1",
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{
"id": "mp-1095978",
"created_at": "2022-09-04T14:43:33.826513Z",
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"nsites": 4,
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"elements": [
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"formula_full": "Y2 Ga1 Au1",
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"updated_at": "2021-11-28T01:36:24.328000Z",
"spacegroup": 71
},
{
"id": "mp-1097224",
"created_at": "2022-09-04T14:47:15.872699Z",
"structure_string": "Cd2 In1 Bi1\n1.0\n-5.902989 6.078707 8.572806\n5.902989 -6.078707 8.572806\n5.902989 6.078707 -8.572806\nCd In Bi\n2 1 1\ndirect\n0.000000 0.253310 0.253310 Cd\n0.000000 0.746690 0.746690 Cd\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Bi-Cd-In",
"density": 0.7403803405416477,
"density_atomic": 0.0032508267124003115,
"volume": 1230.456235868236,
"volume_molar": 185.24951628545693,
"formula_full": "Cd2 In1 Bi1",
"formula_reduced": "Cd2InBi",
"formula_anonymous": "ABC2",
"energy": -4.55966401,
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"energy_above_hull": null,
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"energy_uncorrected": -4.55966401,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.3603273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.661000Z",
"spacegroup": 71
},
{
"id": "mp-1097505",
"created_at": "2022-09-04T14:46:04.142032Z",
"structure_string": "In1 Sn1 Hg2\n1.0\n-5.896173 6.055785 8.623827\n5.896173 -6.055785 8.623827\n5.896173 6.055785 -8.623827\nIn Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Sn\n0.000000 0.255789 0.255789 Hg\n0.000000 0.744211 0.744211 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Sn",
"Hg"
],
"chemical_system": "Hg-In-Sn",
"density": 0.8557016652312814,
"density_atomic": 0.003247575816514048,
"volume": 1231.6879500271698,
"volume_molar": 185.43495518648655,
"formula_full": "In1 Sn1 Hg2",
"formula_reduced": "InSnHg2",
"formula_anonymous": "ABC2",
"energy": -3.89985467,
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"energy_above_hull": null,
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"energy_uncorrected": -3.89985467,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.159000Z",
"spacegroup": 71
},
{
"id": "mp-1093543",
"created_at": "2022-09-04T14:39:11.248605Z",
"structure_string": "Y1 Ag2 Pb1\n1.0\n-5.686878 6.173068 8.773368\n5.686878 -6.173068 8.773368\n5.686878 6.173068 -8.773368\nY Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.250069 0.250069 Ag\n0.000000 0.749931 0.749931 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Pb-Y",
"density": 0.6898964643417288,
"density_atomic": 0.003246823504333979,
"volume": 1231.9733409163305,
"volume_molar": 185.47792178914023,
"formula_full": "Y1 Ag2 Pb1",
"formula_reduced": "YAg2Pb",
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"energy": -9.11339882,
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"energy_uncorrected": -9.11339882,
"band_gap": 0.0323999999999999,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.464000Z",
"spacegroup": 71
},
{
"id": "mp-1096241",
"created_at": "2022-09-04T14:43:53.085718Z",
"structure_string": "Mg1 Sc2 Ag1\n1.0\n-5.790407 6.005680 8.858737\n5.790407 -6.005680 8.858737\n5.790407 6.005680 -8.858737\nMg Sc Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.264238 0.264238 Sc\n0.000000 0.735762 0.735762 Sc\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Sc",
"Ag"
],
"chemical_system": "Ag-Mg-Sc",
"density": 0.2992714531201061,
"density_atomic": 0.0032460627633529053,
"volume": 1232.262063801977,
"volume_molar": 185.52139003559017,
"formula_full": "Mg1 Sc2 Ag1",
"formula_reduced": "MgSc2Ag",
"formula_anonymous": "ABC2",
"energy": -8.48662204,
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"formation_energy": null,
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"energy_uncorrected": -8.48662204,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.466000Z",
"spacegroup": 71
},
{
"id": "mp-1093557",
"created_at": "2022-09-04T14:48:23.083296Z",
"structure_string": "Y1 Zn1 Ag2\n1.0\n-5.619087 6.190822 8.858362\n5.619087 -6.190822 8.858362\n5.619087 6.190822 -8.858362\nY Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.242269 0.242269 Ag\n0.000000 0.757731 0.757731 Ag\n",
"nsites": 4,
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"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 0.4985210306662711,
"density_atomic": 0.0032451330128246236,
"volume": 1232.6151144474434,
"volume_molar": 185.57454305265037,
"formula_full": "Y1 Zn1 Ag2",
"formula_reduced": "YZnAg2",
"formula_anonymous": "ABC2",
"energy": -7.37672819,
"energy_per_atom": -1.8441820475,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -7.37672819,
"band_gap": 0.0700000000000002,
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"is_magnetic": true,
"total_magnetization": 0.9999657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.617000Z",
"spacegroup": 71
},
{
"id": "mp-1096161",
"created_at": "2022-09-04T14:46:59.783985Z",
"structure_string": "Sc2 Tl1 Fe1\n1.0\n-5.057680 6.333049 9.645286\n5.057680 -6.333049 9.645286\n5.057680 6.333049 -9.645286\nSc Tl Fe\n2 1 1\ndirect\n0.000000 0.203886 0.203886 Sc\n0.000000 0.796114 0.796114 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
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"elements": [
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"Tl",
"Fe"
],
"chemical_system": "Fe-Sc-Tl",
"density": 0.470491391141996,
"density_atomic": 0.0032368359871883376,
"volume": 1235.7746935069704,
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"formula_full": "Sc2 Tl1 Fe1",
"formula_reduced": "Sc2TlFe",
"formula_anonymous": "ABC2",
"energy": -14.40562772,
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"energy_uncorrected": -14.40562772,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.610000Z",
"spacegroup": 71
},
{
"id": "mp-1095811",
"created_at": "2022-09-04T14:47:26.478249Z",
"structure_string": "Li1 Y2 Ga1\n1.0\n-5.939669 6.056497 8.588802\n5.939669 -6.056497 8.588802\n5.939669 6.056497 -8.588802\nLi Y Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.278490 0.278490 Y\n0.000000 0.721510 0.721510 Y\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Y",
"Ga"
],
"chemical_system": "Ga-Li-Y",
"density": 0.34191573119769314,
"density_atomic": 0.0032365599733764757,
"volume": 1235.8800803641777,
"volume_molar": 186.06609516082978,
"formula_full": "Li1 Y2 Ga1",
"formula_reduced": "LiY2Ga",
"formula_anonymous": "ABC2",
"energy": -9.63496996,
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"band_gap": 0.4386000000000001,
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"updated_at": "2021-11-28T01:38:11.702000Z",
"spacegroup": 71
},
{
"id": "mp-1093597",
"created_at": "2022-09-04T14:41:34.983805Z",
"structure_string": "In1 Hg2 Bi1\n1.0\n-5.809741 6.157974 8.655201\n5.809741 -6.157974 8.655201\n5.809741 6.157974 -8.655201\nIn Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.252080 0.252080 Hg\n0.000000 0.747920 0.747920 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 0.971946573007927,
"density_atomic": 0.003229447429537814,
"volume": 1238.601986028447,
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"formula_full": "In1 Hg2 Bi1",
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"updated_at": "2021-11-28T01:35:25.476000Z",
"spacegroup": 71
},
{
"id": "mp-1076923",
"created_at": "2022-09-04T14:46:37.785596Z",
"structure_string": "Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n",
"nsites": 4,
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"volume": 1238.6304297958543,
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"formula_full": "Ta4",
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"energy": -26.84558027,
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"updated_at": "2021-11-28T01:37:38.907000Z",
"spacegroup": 127
},
{
"id": "mp-1096320",
"created_at": "2022-09-04T14:48:02.068589Z",
"structure_string": "Y2 Mg1 Ir1\n1.0\n-5.765222 6.212548 8.647013\n5.765222 -6.212548 8.647013\n5.765222 6.212548 -8.647013\nY Mg Ir\n2 1 1\ndirect\n0.000000 0.288947 0.288947 Y\n0.000000 0.711053 0.711053 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Mg-Y",
"density": 0.5285682781066949,
"density_atomic": 0.003228851678798296,
"volume": 1238.8305186841867,
"volume_molar": 186.5102940324996,
"formula_full": "Y2 Mg1 Ir1",
"formula_reduced": "Y2MgIr",
"formula_anonymous": "ABC2",
"energy": -15.17792368,
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"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.387000Z",
"spacegroup": 71
}
]
}