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{
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"results": [
{
"id": "mp-1096664",
"created_at": "2022-09-04T14:46:26.910956Z",
"structure_string": "Sr2 Zn1 Pb1\n1.0\n-6.784940 6.896298 9.744662\n6.784940 -6.896298 9.744662\n6.784940 6.896298 -9.744662\nSr Zn Pb\n2 1 1\ndirect\n0.000000 0.254968 0.254968 Sr\n0.000000 0.745032 0.745032 Sr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"chemical_system": "Pb-Sr-Zn",
"density": 0.40774806032006405,
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"volume": 1823.8486771806959,
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"formula_full": "Sr2 Zn1 Pb1",
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{
"id": "mp-1097195",
"created_at": "2022-09-04T14:39:06.463512Z",
"structure_string": "Sr1 Ca1 Cd2\n1.0\n-6.700021 7.196469 9.467469\n6.700021 -7.196469 9.467469\n6.700021 7.196469 -9.467469\nSr Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245277 0.000000 0.245277 Cd\n0.754723 0.000000 0.754723 Cd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Cd-Sr",
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"volume": 1825.9526271917166,
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"formula_full": "Sr1 Ca1 Cd2",
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"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
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{
"id": "mp-1096227",
"created_at": "2022-09-04T14:44:07.657597Z",
"structure_string": "Ca1 Cd2 In1\n1.0\n-6.171129 7.215129 10.273753\n6.171129 -7.215129 10.273753\n6.171129 7.215129 -10.273753\nCa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.262118 0.262118 Cd\n0.000000 0.737882 0.737882 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Cd-In",
"density": 0.3445977563086004,
"density_atomic": 0.002186060386695095,
"volume": 1829.7756202641935,
"volume_molar": 275.4791586111821,
"formula_full": "Ca1 Cd2 In1",
"formula_reduced": "CaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.38388471,
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"energy_above_hull": null,
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"energy_uncorrected": -2.38388471,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0484644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.224000Z",
"spacegroup": 71
},
{
"id": "mp-1096608",
"created_at": "2022-09-04T14:44:13.182627Z",
"structure_string": "Ba1 Sr1 Tl2\n1.0\n-6.228109 7.204033 10.201383\n6.228109 -7.204033 10.201383\n6.228109 7.204033 -10.201383\nBa Sr Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.247226 0.247226 Tl\n0.000000 0.752774 0.752774 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sr",
"Tl"
],
"chemical_system": "Ba-Sr-Tl",
"density": 0.5747661491472121,
"density_atomic": 0.0021847867272811092,
"volume": 1830.8423197800457,
"volume_molar": 275.6397539770092,
"formula_full": "Ba1 Sr1 Tl2",
"formula_reduced": "BaSrTl2",
"formula_anonymous": "ABC2",
"energy": -3.79513794,
"energy_per_atom": -0.948784485,
"energy_above_hull": null,
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"energy_uncorrected": -3.79513794,
"band_gap": 0.4237999999999999,
"is_gap_direct": true,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.482000Z",
"spacegroup": 71
},
{
"id": "mp-1096526",
"created_at": "2022-09-04T14:46:37.215740Z",
"structure_string": "Cs1 Rb1 I2\n1.0\n-6.805289 7.001317 9.626026\n6.805289 -7.001317 9.626026\n6.805289 7.001317 -9.626026\nCs Rb I\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cs\n0.000000 0.000000 0.000000 Rb\n0.243408 0.000000 0.243408 I\n0.756592 0.000000 0.756592 I\n",
"nsites": 4,
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"elements": [
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"Rb",
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],
"chemical_system": "Cs-I-Rb",
"density": 0.4273909923639106,
"density_atomic": 0.002180352212017429,
"volume": 1834.565983400862,
"volume_molar": 276.2003646386954,
"formula_full": "Cs1 Rb1 I2",
"formula_reduced": "CsRbI2",
"formula_anonymous": "ABC2",
"energy": -10.22389663,
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"energy_above_hull": null,
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"energy_uncorrected": -9.46589663,
"band_gap": 3.7251,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.462000Z",
"spacegroup": 71
},
{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pb"
],
"chemical_system": "Ba-Pb-Zn",
"density": 0.49521458440537564,
"density_atomic": 0.002179757765260707,
"volume": 1835.066292112319,
"volume_molar": 276.2756878757916,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
"energy": -4.2695968,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.2695968,
"band_gap": 0.1117999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.681000Z",
"spacegroup": 71
},
{
"id": "mp-1095754",
"created_at": "2022-09-04T14:41:45.209904Z",
"structure_string": "Sr2 Li1 Cd1\n1.0\n-6.709643 7.236002 9.486992\n6.709643 -7.236002 9.486992\n6.709643 7.236002 -9.486992\nSr Li Cd\n2 1 1\ndirect\n0.250489 0.000000 0.250489 Sr\n0.749512 0.000000 0.749511 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
"Sr",
"Li",
"Cd"
],
"chemical_system": "Cd-Li-Sr",
"density": 0.26551155679415317,
"density_atomic": 0.0021710677397535397,
"volume": 1842.4114212364839,
"volume_molar": 277.381522912944,
"formula_full": "Sr2 Li1 Cd1",
"formula_reduced": "Sr2LiCd",
"formula_anonymous": "ABC2",
"energy": -1.9306816,
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"energy_above_hull": null,
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"energy_uncorrected": -1.9306816,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.089000Z",
"spacegroup": 71
},
{
"id": "mp-1206109",
"created_at": "2022-09-04T14:44:06.105750Z",
"structure_string": "Pr2 Cu1 As3\n1.0\n8.532849 0.000000 0.000000\n0.000000 8.532849 0.000000\n0.000000 0.000000 38.111858\nPr Cu As\n2 1 3\ndirect\n0.500000 0.500000 0.243070 Pr\n0.500000 0.500000 0.756930 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691340 As\n0.500000 0.500000 0.308660 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"As"
],
"chemical_system": "As-Cu-Pr",
"density": 0.34117074071726206,
"density_atomic": 0.0021622355733261476,
"volume": 2774.905784558088,
"volume_molar": 278.51455383911735,
"formula_full": "Pr2 Cu1 As3",
"formula_reduced": "Pr2CuAs3",
"formula_anonymous": "AB2C3",
"energy": -13.744584579999998,
"energy_per_atom": -2.2907640966666665,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -13.744584579999998,
"band_gap": 0.0651000000000001,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.470000Z",
"spacegroup": 123
},
{
"id": "mp-1096564",
"created_at": "2022-09-04T14:41:26.813087Z",
"structure_string": "Sr2 Zn1 Cd1\n1.0\n-6.718771 7.263720 9.499507\n6.718771 -7.263720 9.499507\n6.718771 7.263720 -9.499507\nSr Zn Cd\n2 1 1\ndirect\n0.752137 0.000000 0.752137 Sr\n0.247863 0.000000 0.247863 Sr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Sr-Zn",
"density": 0.3161459496254937,
"density_atomic": 0.0021569992749181795,
"volume": 1854.42806889758,
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"formula_full": "Sr2 Zn1 Cd1",
"formula_reduced": "Sr2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.29006656,
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"energy_uncorrected": -1.29006656,
"band_gap": 0.4788000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.110000Z",
"spacegroup": 71
},
{
"id": "mp-1096266",
"created_at": "2022-09-04T14:39:43.613276Z",
"structure_string": "La2 Cd1 Pb1\n1.0\n-6.273336 7.234319 10.216563\n6.273336 -7.234319 10.216563\n6.273336 7.234319 -10.216563\nLa Cd Pb\n2 1 1\ndirect\n0.000000 0.260836 0.260836 La\n0.000000 0.739164 0.739164 La\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-La-Pb",
"density": 0.5348958794265911,
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"volume": 1854.6459390889895,
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"formula_full": "La2 Cd1 Pb1",
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"formula_anonymous": "ABC2",
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"energy_uncorrected": -7.63829365,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:26.284000Z",
"spacegroup": 71
},
{
"id": "mp-1095866",
"created_at": "2022-09-04T14:41:48.995358Z",
"structure_string": "Sr2 In1 Pb1\n1.0\n-6.573448 7.141582 9.877578\n6.573448 -7.141582 9.877578\n6.573448 7.141582 -9.877578\nSr In Pb\n2 1 1\ndirect\n0.000000 0.252360 0.252360 Sr\n0.000000 0.747640 0.747640 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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],
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"density": 0.44517704078360576,
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"volume": 1854.8044025944087,
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"formula_full": "Sr2 In1 Pb1",
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"formula_anonymous": "ABC2",
"energy": -5.13355405,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:29.284000Z",
"spacegroup": 71
},
{
"id": "mp-1096352",
"created_at": "2022-09-04T14:46:03.994167Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-6.716222 7.276144 9.496108\n6.716222 -7.276144 9.496108\n6.716222 7.276144 -9.496108\nSr Cd Hg\n2 1 1\ndirect\n0.251368 0.000000 0.251368 Sr\n0.748632 0.000000 0.748632 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Cd-Hg-Sr",
"density": 0.4367685700253632,
"density_atomic": 0.0021549044911391077,
"volume": 1856.2307593899686,
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"formula_full": "Sr2 Cd1 Hg1",
"formula_reduced": "Sr2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.223107,
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"energy_uncorrected": -1.223107,
"band_gap": 0.5243000000000002,
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"total_magnetization": 1.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.940000Z",
"spacegroup": 71
}
]
}