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{
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"results": [
{
"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",
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"volume": 1232.6151144474434,
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"formula_full": "Y1 Zn1 Ag2",
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{
"id": "mp-1096241",
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"nsites": 4,
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"elements": [
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"density": 0.2992714531201061,
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"volume": 1232.262063801977,
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"formula_full": "Mg1 Sc2 Ag1",
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"updated_at": "2021-11-28T01:36:26.466000Z",
"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",
"formula_anonymous": "ABC2",
"energy": -9.11339882,
"energy_per_atom": -2.278349705,
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"decomposes_to": null,
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"energy_uncorrected": -9.11339882,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.464000Z",
"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,
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"elements": [
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"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",
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"energy": -3.89985467,
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"energy_above_hull": null,
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"energy_uncorrected": -3.89985467,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:17.159000Z",
"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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"density": 0.7403803405416477,
"density_atomic": 0.0032508267124003115,
"volume": 1230.456235868236,
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"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,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.661000Z",
"spacegroup": 71
},
{
"id": "mp-1095978",
"created_at": "2022-09-04T14:43:33.826513Z",
"structure_string": "Y2 Ga1 Au1\n1.0\n-5.745540 6.164637 8.680030\n5.745540 -6.164637 8.680030\n5.745540 6.164637 -8.680030\nY Ga Au\n2 1 1\ndirect\n0.000000 0.247488 0.247488 Y\n0.000000 0.752512 0.752512 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Ga",
"Au"
],
"chemical_system": "Au-Ga-Y",
"density": 0.6002090286446082,
"density_atomic": 0.0032526730601255597,
"volume": 1229.7577795432019,
"volume_molar": 185.14436122785523,
"formula_full": "Y2 Ga1 Au1",
"formula_reduced": "Y2GaAu",
"formula_anonymous": "ABC2",
"energy": -12.08724762,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -12.08724762,
"band_gap": 0.1316000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.328000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
"Mg",
"Ga",
"Pb"
],
"chemical_system": "Ga-Mg-Pb",
"density": 0.43965654871067694,
"density_atomic": 0.003253339751492441,
"volume": 1229.50577115871,
"volume_molar": 185.10642047875254,
"formula_full": "Mg2 Ga1 Pb1",
"formula_reduced": "Mg2GaPb",
"formula_anonymous": "ABC2",
"energy": -4.57327781,
"energy_per_atom": -1.1433194525,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.57327781,
"band_gap": 0.1391,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.531000Z",
"spacegroup": 71
},
{
"id": "mp-1096146",
"created_at": "2022-09-04T14:46:13.849108Z",
"structure_string": "Y2 Rh1 Pb1\n1.0\n-5.268432 6.407531 9.102130\n5.268432 -6.407531 9.102130\n5.268432 6.407531 -9.102130\nY Rh Pb\n2 1 1\ndirect\n0.000000 0.228854 0.228854 Y\n0.000000 0.771146 0.771146 Y\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Rh",
"Pb"
],
"chemical_system": "Pb-Rh-Y",
"density": 0.6592044118384887,
"density_atomic": 0.003254504460245529,
"volume": 1229.0657606590678,
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"formula_full": "Y2 Rh1 Pb1",
"formula_reduced": "Y2RhPb",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -17.07662455,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.1148599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.938000Z",
"spacegroup": 71
},
{
"id": "mp-1095915",
"created_at": "2022-09-04T14:44:08.660395Z",
"structure_string": "Na1 Ag2 Pb1\n1.0\n-5.737424 6.153168 8.701722\n5.737424 -6.153168 8.701722\n5.737424 6.153168 -8.701722\nNa Ag Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.253477 0.253477 Ag\n0.000000 0.746523 0.746523 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Ag",
"Pb"
],
"chemical_system": "Ag-Na-Pb",
"density": 0.60260279664844,
"density_atomic": 0.0032552104945085696,
"volume": 1228.7991841842072,
"volume_molar": 185.00004132326157,
"formula_full": "Na1 Ag2 Pb1",
"formula_reduced": "NaAg2Pb",
"formula_anonymous": "ABC2",
"energy": -5.96996582,
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"band_gap": 0.0558999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.337000Z",
"spacegroup": 71
},
{
"id": "mp-1208130",
"created_at": "2022-09-04T14:42:22.253627Z",
"structure_string": "Yb2 Ga12\n1.0\n14.320480 0.000000 0.000000\n0.000000 14.320480 0.000000\n0.000000 0.000000 20.970766\nYb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.872779 0.000000 0.349929 Ga\n0.127221 0.000000 0.349929 Ga\n0.000000 0.872779 0.349929 Ga\n0.000000 0.127221 0.650071 Ga\n0.127221 0.000000 0.650071 Ga\n0.000000 0.127221 0.349929 Ga\n0.000000 0.872779 0.650071 Ga\n0.872779 0.000000 0.650071 Ga\n0.000000 0.500000 0.161439 Ga\n0.500000 0.000000 0.161439 Ga\n0.500000 0.000000 0.838561 Ga\n0.000000 0.500000 0.838561 Ga\n",
"nsites": 14,
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],
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"density": 0.45668296591577096,
"density_atomic": 0.0032553567651698715,
"volume": 4300.60389994442,
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"formula_full": "Yb2 Ga12",
"formula_reduced": "YbGa6",
"formula_anonymous": "AB6",
"energy": -19.2812942,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:49.060000Z",
"spacegroup": 123
},
{
"id": "mp-1096038",
"created_at": "2022-09-04T14:46:58.421046Z",
"structure_string": "Li1 La2 Hg1\n1.0\n-5.915391 6.197638 8.378822\n5.915391 -6.197638 8.378822\n5.915391 6.197638 -8.378822\nLi La Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.745184 0.000000 0.745184 La\n0.254816 0.000000 0.254816 La\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"La",
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],
"chemical_system": "Hg-La-Li",
"density": 0.6559100744797296,
"density_atomic": 0.0032554225961053725,
"volume": 1228.719123835229,
"volume_molar": 184.9879879559905,
"formula_full": "Li1 La2 Hg1",
"formula_reduced": "LiLa2Hg",
"formula_anonymous": "ABC2",
"energy": -4.2531831,
"energy_per_atom": -1.063295775,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:46.361000Z",
"spacegroup": 71
},
{
"id": "mp-1096324",
"created_at": "2022-09-04T14:42:52.411171Z",
"structure_string": "Mg2 Cd1 Pb1\n1.0\n-5.631653 6.211150 8.780678\n5.631653 -6.211150 8.780678\n5.631653 6.211150 -8.780678\nMg Cd Pb\n2 1 1\ndirect\n0.000000 0.251134 0.251134 Mg\n0.000000 0.748866 0.748866 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Mg-Pb",
"density": 0.4976931952973727,
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"volume": 1228.558801727596,
"volume_molar": 184.96385089851287,
"formula_full": "Mg2 Cd1 Pb1",
"formula_reduced": "Mg2CdPb",
"formula_anonymous": "ABC2",
"energy": -3.45331789,
"energy_per_atom": -0.8633294725,
"energy_above_hull": null,
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"energy_uncorrected": -3.45331789,
"band_gap": 0.4485999999999999,
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"updated_at": "2021-11-28T01:35:51.869000Z",
"spacegroup": 71
}
]
}