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{
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"results": [
{
"id": "mp-1096243",
"created_at": "2022-09-04T14:45:33.413098Z",
"structure_string": "Na1 Mg1 Hg2\n1.0\n-6.031872 6.173917 8.727031\n6.031872 -6.173917 8.727031\n6.031872 6.173917 -8.727031\nNa Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250697 0.250697 Hg\n0.000000 0.749303 0.749303 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.5728589451302678,
"density_atomic": 0.0030769509820410103,
"volume": 1299.9882101945968,
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"formula_full": "Na1 Mg1 Hg2",
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"updated_at": "2021-11-28T01:37:03.394000Z",
"spacegroup": 71
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{
"id": "mp-1097194",
"created_at": "2022-09-04T14:40:41.721426Z",
"structure_string": "Na1 Sr2 Cd1\n1.0\n-6.965216 7.092508 10.037121\n6.965216 -7.092508 10.037121\n6.965216 7.092508 -10.037121\nNa Sr Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265388 0.265388 Sr\n0.000000 0.734612 0.734612 Sr\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Na-Sr",
"density": 0.2600782152147767,
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"volume": 1983.3692439104732,
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"formula_full": "Na1 Sr2 Cd1",
"formula_reduced": "NaSr2Cd",
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"energy": -1.50535984,
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"energy_uncorrected": -1.50535984,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.255000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Ca-Cd-Zn",
"density": 0.26563889591258016,
"density_atomic": 0.002480408755960824,
"volume": 1612.6374293702006,
"volume_molar": 242.78823986279767,
"formula_full": "Ca2 Zn1 Cd1",
"formula_reduced": "Ca2ZnCd",
"formula_anonymous": "ABC2",
"energy": -1.50271653,
"energy_per_atom": -0.3756791325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.50271653,
"band_gap": 0.3149999999999997,
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"is_magnetic": false,
"total_magnetization": 0.0003149,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.723000Z",
"spacegroup": 71
},
{
"id": "mp-1096360",
"created_at": "2022-09-04T14:39:06.681315Z",
"structure_string": "Na1 Sr2 Mg1\n1.0\n-7.111728 7.237947 10.313953\n7.111728 -7.237947 10.313953\n7.111728 7.237947 -10.313953\nNa Sr Mg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.261374 0.261374 Sr\n0.000000 0.738626 0.738626 Sr\n0.000000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Mg"
],
"chemical_system": "Mg-Na-Sr",
"density": 0.17400883410405765,
"density_atomic": 0.0018835810623404213,
"volume": 2123.6144703163704,
"volume_molar": 319.71763150545064,
"formula_full": "Na1 Sr2 Mg1",
"formula_reduced": "NaSr2Mg",
"formula_anonymous": "ABC2",
"energy": -1.48566586,
"energy_per_atom": -0.371416465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -1.48566586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.652000Z",
"spacegroup": 71
},
{
"id": "mp-1093940",
"created_at": "2022-09-04T14:40:28.001532Z",
"structure_string": "Ba1 Ca1 Cd2\n1.0\n-6.957490 7.029899 9.855929\n6.957490 -7.029899 9.855929\n6.957490 7.029899 -9.855929\nBa Ca Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.240494 0.000000 0.240494 Cd\n0.759506 0.000000 0.759506 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ca",
"Cd"
],
"chemical_system": "Ba-Ca-Cd",
"density": 0.3463866003767523,
"density_atomic": 0.0020744394240740124,
"volume": 1928.2317688237722,
"volume_molar": 290.30207824401344,
"formula_full": "Ba1 Ca1 Cd2",
"formula_reduced": "BaCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.48368147,
"energy_per_atom": -0.3709203675,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1.48368147,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0008496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.979000Z",
"spacegroup": 71
},
{
"id": "mp-1096164",
"created_at": "2022-09-04T14:47:13.417829Z",
"structure_string": "K1 Rb1 Hg2\n1.0\n-6.580816 7.442841 9.302626\n6.580816 -7.442841 9.302626\n6.580816 7.442841 -9.302626\nK Rb Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Rb\n0.246586 0.000000 0.246586 Hg\n0.753414 0.000000 0.753414 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Hg"
],
"chemical_system": "Hg-K-Rb",
"density": 0.47900617871118706,
"density_atomic": 0.0021947039714458024,
"volume": 1822.5692631179436,
"volume_molar": 274.39421618364327,
"formula_full": "K1 Rb1 Hg2",
"formula_reduced": "KRbHg2",
"formula_anonymous": "ABC2",
"energy": -1.45662428,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1.45662428,
"band_gap": 0.1083999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.367000Z",
"spacegroup": 71
},
{
"id": "mp-1096012",
"created_at": "2022-09-04T14:40:37.475012Z",
"structure_string": "Ca2 Cd1 Hg1\n1.0\n-6.464141 6.846135 9.139241\n6.464141 -6.846135 9.139241\n6.464141 6.846135 -9.139241\nCa Cd Hg\n2 1 1\ndirect\n0.251680 0.000000 0.251680 Ca\n0.748320 0.000000 0.748320 Ca\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Hg"
],
"chemical_system": "Ca-Cd-Hg",
"density": 0.4035419693735034,
"density_atomic": 0.00247248457280391,
"volume": 1617.8058476068945,
"volume_molar": 243.56636341599568,
"formula_full": "Ca2 Cd1 Hg1",
"formula_reduced": "Ca2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.42465064,
"energy_per_atom": -0.35616266,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.42465064,
"band_gap": 0.3688,
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"is_magnetic": false,
"total_magnetization": 0.0133263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.285000Z",
"spacegroup": 71
},
{
"id": "mp-1097680",
"created_at": "2022-09-04T14:47:26.525725Z",
"structure_string": "Ca2 Mg1 Zn1\n1.0\n-6.569225 6.946878 9.284802\n6.569225 -6.946878 9.284802\n6.569225 6.946878 -9.284802\nCa Mg Zn\n2 1 1\ndirect\n0.260497 0.000000 0.260497 Ca\n0.739503 0.000000 0.739503 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Ca-Mg-Zn",
"density": 0.1664291278210476,
"density_atomic": 0.0023600627177223533,
"volume": 1694.8702125426207,
"volume_molar": 255.1686747465695,
"formula_full": "Ca2 Mg1 Zn1",
"formula_reduced": "Ca2MgZn",
"formula_anonymous": "ABC2",
"energy": -1.40248541,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1.40248541,
"band_gap": 0.2237,
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"total_magnetization": 0.0007845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.503000Z",
"spacegroup": 71
},
{
"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,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd-Sr",
"density": 0.3205851143346066,
"density_atomic": 0.0021906373366060053,
"volume": 1825.9526271917166,
"volume_molar": 274.90359355100804,
"formula_full": "Sr1 Ca1 Cd2",
"formula_reduced": "SrCaCd2",
"formula_anonymous": "ABC2",
"energy": -1.39642433,
"energy_per_atom": -0.3491060825,
"energy_above_hull": null,
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"energy_uncorrected": -1.39642433,
"band_gap": 0.3840000000000001,
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"total_magnetization": 0.0081102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.895000Z",
"spacegroup": 71
},
{
"id": "mp-1097624",
"created_at": "2022-09-04T14:47:23.852238Z",
"structure_string": "Sr1 Ca1 Zn2\n1.0\n-6.365359 6.870851 9.002936\n6.365359 -6.870851 9.002936\n6.365359 6.870851 -9.002936\nSr Ca Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245462 0.000000 0.245462 Zn\n0.754538 0.000000 0.754538 Zn\n",
"nsites": 4,
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"elements": [
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"Ca",
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],
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"density": 0.27255800247345296,
"density_atomic": 0.0025396999129288535,
"volume": 1574.989225946418,
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"formula_full": "Sr1 Ca1 Zn2",
"formula_reduced": "SrCaZn2",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -1.39198491,
"band_gap": 0.4475,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.627000Z",
"spacegroup": 71
},
{
"id": "mp-1097243",
"created_at": "2022-09-04T14:47:01.446076Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-6.776174 7.248446 9.558704\n6.776174 -7.248446 9.558704\n6.776174 7.248446 -9.558704\nK Ba Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ba\n0.752628 0.000000 0.752628 Hg\n0.247372 0.000000 0.247372 Hg\n",
"nsites": 4,
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"elements": [
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"Ba",
"Hg"
],
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"density": 0.5107305133177036,
"density_atomic": 0.002129960402156392,
"volume": 1877.9691847559052,
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"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy": -1.37969846,
"energy_per_atom": -0.344924615,
"energy_above_hull": null,
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"energy_uncorrected": -1.37969846,
"band_gap": 0.1607,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.963000Z",
"spacegroup": 71
},
{
"id": "mp-1097376",
"created_at": "2022-09-04T14:39:17.349016Z",
"structure_string": "Ba2 Sr1 Ca1\n1.0\n-7.829504 7.976100 10.955554\n7.829504 -7.976100 10.955554\n7.829504 7.976100 -10.955554\nBa Sr Ca\n2 1 1\ndirect\n0.248774 0.000000 0.248774 Ba\n0.751226 0.000000 0.751226 Ba\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"Sr",
"Ca"
],
"chemical_system": "Ba-Ca-Sr",
"density": 0.24413839556478645,
"density_atomic": 0.0014616413324847755,
"volume": 2736.6494851373973,
"volume_molar": 412.0122102569734,
"formula_full": "Ba2 Sr1 Ca1",
"formula_reduced": "Ba2SrCa",
"formula_anonymous": "ABC2",
"energy": -1.36926461,
"energy_per_atom": -0.3423161525,
"energy_above_hull": null,
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"energy_uncorrected": -1.36926461,
"band_gap": 0.0,
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"total_magnetization": 2.2780704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.477000Z",
"spacegroup": 71
}
]
}