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{
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"results": [
{
"id": "mp-1095974",
"created_at": "2022-09-04T14:47:12.384782Z",
"structure_string": "Ca2 Zn1 Cd1\n1.0\n-6.479656 6.791448 9.161412\n6.479656 -6.791448 9.161412\n6.479656 6.791448 -9.161412\nCa Zn Cd\n2 1 1\ndirect\n0.246514 0.000000 0.246514 Ca\n0.753486 0.000000 0.753486 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
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{
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"nsites": 4,
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"elements": [
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"volume": 1611.7235622107157,
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"updated_at": "2021-11-28T01:36:03.229000Z",
"spacegroup": 71
},
{
"id": "mp-1093824",
"created_at": "2022-09-04T14:39:11.522375Z",
"structure_string": "Ba2 Ag1 Pd1\n1.0\n-6.174833 6.793814 9.603085\n6.174833 -6.793814 9.603085\n6.174833 6.793814 -9.603085\nBa Ag Pd\n2 1 1\ndirect\n0.000000 0.230742 0.230742 Ba\n0.000000 0.769258 0.769258 Ba\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ba-Pd",
"density": 0.5038450385560176,
"density_atomic": 0.0024822776552815683,
"volume": 1611.4232795389178,
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"formula_full": "Ba2 Ag1 Pd1",
"formula_reduced": "Ba2AgPd",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:34.638000Z",
"spacegroup": 71
},
{
"id": "mp-1093855",
"created_at": "2022-09-04T14:47:26.227906Z",
"structure_string": "Ca2 Mg1 Cd1\n1.0\n-6.474925 6.793823 9.155077\n6.474925 -6.793823 9.155077\n6.474925 6.793823 -9.155077\nCa Mg Cd\n2 1 1\ndirect\n0.250538 0.000000 0.250538 Ca\n0.749462 0.000000 0.749462 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Ca-Cd-Mg",
"density": 0.2235535748613668,
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"volume": 1610.9088332629021,
"volume_molar": 242.52799363591416,
"formula_full": "Ca2 Mg1 Cd1",
"formula_reduced": "Ca2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.35224896,
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"energy_uncorrected": -1.35224896,
"band_gap": 0.0908999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.090000Z",
"spacegroup": 71
},
{
"id": "mp-1096200",
"created_at": "2022-09-04T14:41:01.875578Z",
"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
],
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"density": 0.5997712946931879,
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"volume": 1610.4068403755712,
"volume_molar": 242.45241684021354,
"formula_full": "Ba2 Hg1 Pd1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -6.23238627,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.021000Z",
"spacegroup": 71
},
{
"id": "mp-1097246",
"created_at": "2022-09-04T14:41:21.244488Z",
"structure_string": "Sr2 Zn1 In1\n1.0\n-6.628002 6.661720 9.109885\n6.628002 -6.661720 9.109885\n6.628002 6.661720 -9.109885\nSr Zn In\n2 1 1\ndirect\n0.258129 0.000000 0.258129 Sr\n0.741871 0.000000 0.741871 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"Zn",
"In"
],
"chemical_system": "In-Sr-Zn",
"density": 0.3668651808300881,
"density_atomic": 0.0024860971732004783,
"volume": 1608.9475677455512,
"volume_molar": 242.2327182105836,
"formula_full": "Sr2 Zn1 In1",
"formula_reduced": "Sr2ZnIn",
"formula_anonymous": "ABC2",
"energy": -2.67533602,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -2.67533602,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.117000Z",
"spacegroup": 71
},
{
"id": "mp-1096179",
"created_at": "2022-09-04T14:43:16.317071Z",
"structure_string": "Ca1 Y1 Mg2\n1.0\n-6.543658 6.635724 9.255505\n6.543658 -6.635724 9.255505\n6.543658 6.635724 -9.255505\nCa Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Y\n0.259028 0.000000 0.259028 Mg\n0.740972 0.000000 0.740972 Mg\n",
"nsites": 4,
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"elements": [
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"Y",
"Mg"
],
"chemical_system": "Ca-Mg-Y",
"density": 0.18344589647263626,
"density_atomic": 0.0024882325841449494,
"volume": 1607.5667626443171,
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"formula_full": "Ca1 Y1 Mg2",
"formula_reduced": "CaYMg2",
"formula_anonymous": "ABC2",
"energy": -4.11685956,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.499000Z",
"spacegroup": 71
},
{
"id": "mp-1206633",
"created_at": "2022-09-04T14:40:15.935239Z",
"structure_string": "Co1 Cl6\n1.0\n5.030051 -6.425303 0.000000\n5.030051 6.425303 0.000000\n0.000000 0.000000 43.411698\nCo Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.249980 Cl\n0.000000 0.000000 0.750020 Cl\n0.267684 0.035593 0.000000 Cl\n0.732316 0.964407 0.000000 Cl\n0.035593 0.267684 0.000000 Cl\n0.964407 0.732316 0.000000 Cl\n",
"nsites": 7,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Co",
"density": 0.16075257837314846,
"density_atomic": 0.002494567558892588,
"volume": 2806.0975839465764,
"volume_molar": 241.41020909746,
"formula_full": "Co1 Cl6",
"formula_reduced": "CoCl6",
"formula_anonymous": "AB6",
"energy": -20.16140489,
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"energy_above_hull": null,
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"band_gap": 0.2615999999999996,
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"updated_at": "2021-11-28T01:34:54.702000Z",
"spacegroup": 65
},
{
"id": "mp-1096302",
"created_at": "2022-09-04T14:45:57.846390Z",
"structure_string": "Sr2 Ga1 Hg1\n1.0\n-6.550257 6.587701 9.289148\n6.550257 -6.587701 9.289148\n6.550257 6.587701 -9.289148\nSr Ga Hg\n2 1 1\ndirect\n0.000000 0.232300 0.232300 Sr\n0.000000 0.767700 0.767700 Sr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
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"density": 0.4614454591922697,
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"volume": 1603.3491022663943,
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"formula_full": "Sr2 Ga1 Hg1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:13.293000Z",
"spacegroup": 71
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{
"id": "mp-1071565",
"created_at": "2022-09-04T14:43:01.980619Z",
"structure_string": "Ca2 C4\n1.0\n6.778993 9.339547 0.000000\n-6.778993 9.339547 0.000000\n0.000000 9.005348 18.990895\nCa C\n2 4\ndirect\n0.446257 0.446257 0.245079 Ca\n0.553743 0.553743 0.754921 Ca\n0.985174 0.985174 0.478085 C\n0.014826 0.014826 0.521915 C\n0.577070 0.577070 0.211095 C\n0.422930 0.422930 0.788905 C\n",
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"volume": 2404.730577275262,
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"formula_full": "Ca2 C4",
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"band_gap": 0.6480000000000001,
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"updated_at": "2021-11-28T01:36:00.194000Z",
"spacegroup": 12
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{
"id": "mp-1093608",
"created_at": "2022-09-04T14:42:52.323832Z",
"structure_string": "La2 Ga1 Cu1\n1.0\n-5.347984 7.314074 10.245096\n5.347984 -7.314074 10.245096\n5.347984 7.314074 -10.245096\nLa Ga Cu\n2 1 1\ndirect\n0.000000 0.243737 0.243737 La\n0.000000 0.756263 0.756263 La\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
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],
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"density": 0.4258433886661904,
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"volume": 1602.9702891563988,
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"formula_full": "La2 Ga1 Cu1",
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"energy": -9.58233865,
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"updated_at": "2021-11-28T01:35:55.104000Z",
"spacegroup": 71
},
{
"id": "mp-1093616",
"created_at": "2022-09-04T14:42:58.456014Z",
"structure_string": "Sr1 Mg1 Hg2\n1.0\n-6.471900 6.737794 9.160673\n6.471900 -6.737794 9.160673\n6.471900 6.737794 -9.160673\nSr Mg Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n0.232730 0.000000 0.232730 Hg\n0.767270 0.000000 0.767270 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5332347513776269,
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"volume": 1597.853282379941,
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"formula_full": "Sr1 Mg1 Hg2",
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"energy_uncorrected": -0.95437335,
"band_gap": 0.3729000000000002,
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"total_magnetization": 6.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.888000Z",
"spacegroup": 71
}
]
}