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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=31",
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"results": [
{
"id": "mp-998195",
"created_at": "2022-09-04T14:44:29.408289Z",
"structure_string": "Rb1 In1 Cl3\n1.0\n5.451524 0.000234 -0.014076\n-0.003181 5.452878 -0.029690\n0.000833 0.001726 5.453123\nRb In Cl\n1 1 3\ndirect\n0.001692 0.002864 0.002684 Rb\n0.500596 0.514237 0.503496 In\n0.000093 0.515894 0.505163 Cl\n0.495762 0.014376 0.495917 Cl\n0.501857 0.512630 0.002738 Cl\n",
"nsites": 5,
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"elements": [
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"In",
"Cl"
],
"chemical_system": "Cl-In-Rb",
"density": 3.1411940627504986,
"density_atomic": 0.03084466589176954,
"volume": 162.10258258411477,
"volume_molar": 19.524091397621277,
"formula_full": "Rb1 In1 Cl3",
"formula_reduced": "RbInCl3",
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"energy": -17.948112589999997,
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"updated_at": "2021-11-28T01:36:42.601000Z",
"spacegroup": 8
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{
"id": "mp-998194",
"created_at": "2022-09-04T14:39:30.378111Z",
"structure_string": "Rb1 In1 Br3\n1.0\n4.058251 4.053135 0.000000\n-4.058251 4.053135 0.000000\n0.000000 0.010536 5.733704\nRb In Br\n1 1 3\ndirect\n0.999138 0.999138 0.001420 Rb\n0.495608 0.495608 0.516907 In\n0.999421 0.495604 0.514597 Br\n0.505799 0.505799 0.015490 Br\n0.495604 0.999421 0.514597 Br\n",
"nsites": 5,
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"elements": [
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"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.873507170713019,
"density_atomic": 0.026507865976789426,
"volume": 188.62325637145042,
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"formula_full": "Rb1 In1 Br3",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
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"band_gap": 0.0,
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"total_magnetization": 0.0007017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.098000Z",
"spacegroup": 8
},
{
"id": "mp-998193",
"created_at": "2022-09-04T14:44:44.620476Z",
"structure_string": "Rb1 Sn1 F3\n1.0\n-4.609908 0.000000 0.000000\n-0.035403 -4.639203 0.000000\n0.410273 0.613606 5.248701\nRb Sn F\n1 1 3\ndirect\n0.023604 0.033845 0.920314 Rb\n0.492582 0.485299 0.490553 Sn\n0.975465 0.497017 0.568845 F\n0.511938 0.513413 0.888970 F\n0.496411 0.960427 0.571316 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"F"
],
"chemical_system": "F-Rb-Sn",
"density": 3.863580122379641,
"density_atomic": 0.04454331513463712,
"volume": 112.25028907001969,
"volume_molar": 13.51974082260696,
"formula_full": "Rb1 Sn1 F3",
"formula_reduced": "RbSnF3",
"formula_anonymous": "ABC3",
"energy": -24.443498850000005,
"energy_per_atom": -4.8886997700000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.05749885,
"band_gap": 3.4052999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.592000Z",
"spacegroup": 1
},
{
"id": "mp-998176",
"created_at": "2022-09-04T14:48:26.640780Z",
"structure_string": "Rb1 Pb1 Br3\n1.0\n4.234594 4.229592 0.000000\n-4.234594 4.229592 0.000000\n0.000000 0.008477 5.980418\nRb Pb Br\n1 1 3\ndirect\n0.002956 0.002956 0.999805 Rb\n0.505275 0.505275 0.483568 Pb\n0.504066 0.002769 0.485275 Br\n0.491389 0.491389 0.984151 Br\n0.002769 0.504066 0.485275 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.126661790570243,
"density_atomic": 0.02333985829319195,
"volume": 214.22580793725126,
"volume_molar": 25.801959396457043,
"formula_full": "Rb1 Pb1 Br3",
"formula_reduced": "RbPbBr3",
"formula_anonymous": "ABC3",
"energy": -17.46913796,
"energy_per_atom": -3.493827592,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.86713796,
"band_gap": 1.7508,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.705000Z",
"spacegroup": 8
},
{
"id": "mp-998174",
"created_at": "2022-09-04T14:42:37.983362Z",
"structure_string": "Rb1 Pd1 Br3\n1.0\n-5.296201 -0.000406 0.001915\n-0.000899 -0.000220 -5.292232\n-0.001511 -5.289075 0.004186\nRb Pd Br\n1 1 3\ndirect\n0.000698 0.001017 0.993667 Rb\n0.499401 0.495891 0.484919 Pd\n0.999374 0.496024 0.487299 Br\n0.501959 0.501046 0.985331 Br\n0.498568 0.996020 0.488781 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Br"
],
"chemical_system": "Br-Pd-Rb",
"density": 4.834451881087653,
"density_atomic": 0.03372771458121357,
"volume": 148.24603629636422,
"volume_molar": 17.85516995377549,
"formula_full": "Rb1 Pd1 Br3",
"formula_reduced": "RbPdBr3",
"formula_anonymous": "ABC3",
"energy": -17.17670274,
"energy_per_atom": -3.435340548,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.57470274,
"band_gap": 0.3800000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.38e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.980000Z",
"spacegroup": 6
},
{
"id": "mp-998173",
"created_at": "2022-09-04T14:44:26.815782Z",
"structure_string": "Rb1 Pd1 Cl3\n1.0\n5.006532 0.000000 0.000000\n0.000000 5.006532 0.000000\n0.000000 0.000000 5.006532\nRb Pd Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Rb",
"density": 3.946516301287615,
"density_atomic": 0.039843640713331664,
"volume": 125.490540284061,
"volume_molar": 15.114433952781315,
"formula_full": "Rb1 Pd1 Cl3",
"formula_reduced": "RbPdCl3",
"formula_anonymous": "ABC3",
"energy": -18.89185215,
"energy_per_atom": -3.77837043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.04985215,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.828000Z",
"spacegroup": 221
},
{
"id": "mp-998160",
"created_at": "2022-09-04T14:46:14.517348Z",
"structure_string": "Tl1 Co1 F3\n1.0\n4.200322 0.000000 0.000000\n0.000000 4.200322 0.000000\n0.000000 0.000000 4.200322\nTl Co F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Co",
"F"
],
"chemical_system": "Co-F-Tl",
"density": 7.177515697688809,
"density_atomic": 0.06747179268317144,
"volume": 74.10504154645177,
"volume_molar": 8.925419824367612,
"formula_full": "Tl1 Co1 F3",
"formula_reduced": "TlCoF3",
"formula_anonymous": "ABC3",
"energy": -25.21152007000001,
"energy_per_atom": -5.042304014000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.18752007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.000163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.347000Z",
"spacegroup": 221
},
{
"id": "mp-998159",
"created_at": "2022-09-04T14:40:07.757681Z",
"structure_string": "Tl1 Fe1 F3\n1.0\n4.254436 0.000000 0.000000\n0.000000 4.254436 0.000000\n0.000000 0.000000 4.254436\nTl Fe F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"F"
],
"chemical_system": "F-Fe-Tl",
"density": 6.8405099414663955,
"density_atomic": 0.0649297931982875,
"volume": 77.00625173301604,
"volume_molar": 9.274849746724332,
"formula_full": "Tl1 Fe1 F3",
"formula_reduced": "TlFeF3",
"formula_anonymous": "ABC3",
"energy": -26.920476449999995,
"energy_per_atom": -5.384095289999999,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.27847645,
"band_gap": 3.4393,
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"is_magnetic": true,
"total_magnetization": 3.999646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.315000Z",
"spacegroup": 221
},
{
"id": "mp-998157",
"created_at": "2022-09-04T14:45:09.376614Z",
"structure_string": "Rb1 Sn1 Br3\n1.0\n5.864902 0.000000 0.000000\n0.015008 5.868123 0.000000\n0.047941 0.042661 5.870412\nRb Sn Br\n1 1 3\ndirect\n0.005249 0.007600 0.014231 Rb\n0.494069 0.489511 0.485067 Sn\n0.498577 0.493807 0.981877 Br\n0.481927 0.986008 0.480806 Br\n0.990177 0.473073 0.468018 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Br"
],
"chemical_system": "Br-Rb-Sn",
"density": 3.648343428426828,
"density_atomic": 0.024748076746075258,
"volume": 202.03590167033641,
"volume_molar": 24.3337727686457,
"formula_full": "Rb1 Sn1 Br3",
"formula_reduced": "RbSnBr3",
"formula_anonymous": "ABC3",
"energy": -17.46337566,
"energy_per_atom": -3.492675132,
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"energy_uncorrected": -15.86137566,
"band_gap": 0.6010000000000002,
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"updated_at": "2021-11-28T01:36:54.269000Z",
"spacegroup": 1
},
{
"id": "mp-998156",
"created_at": "2022-09-04T14:46:58.116418Z",
"structure_string": "Rb1 Sn1 Cl3\n1.0\n3.960248 3.957567 0.000000\n-3.960248 3.957567 0.000000\n0.000000 0.082460 5.612300\nRb Sn Cl\n1 1 3\ndirect\n0.009667 0.009667 0.018062 Rb\n0.491213 0.491213 0.479390 Sn\n0.495323 0.495323 0.992469 Cl\n0.990958 0.485430 0.475227 Cl\n0.485430 0.990958 0.475227 Cl\n",
"nsites": 5,
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"elements": [
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"Sn",
"Cl"
],
"chemical_system": "Cl-Rb-Sn",
"density": 2.931167509622487,
"density_atomic": 0.028421596635544315,
"volume": 175.92255861329596,
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"formula_full": "Rb1 Sn1 Cl3",
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"formula_anonymous": "ABC3",
"energy": -19.3359703,
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"energy_above_hull": null,
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"energy_uncorrected": -17.4939703,
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"updated_at": "2021-11-28T01:37:49.258000Z",
"spacegroup": 8
},
{
"id": "mp-998155",
"created_at": "2022-09-04T14:45:53.322847Z",
"structure_string": "Rb1 Sr1 Cl3\n1.0\n4.034603 4.030016 0.000000\n-4.034603 4.030016 0.000000\n0.000000 0.010572 5.698582\nRb Sr Cl\n1 1 3\ndirect\n0.997384 0.997384 0.001233 Rb\n0.497822 0.497822 0.515229 Sr\n0.998911 0.497980 0.516385 Cl\n0.511071 0.511071 0.015261 Cl\n0.497980 0.998911 0.516385 Cl\n",
"nsites": 5,
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"elements": [
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"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.5040549970421497,
"density_atomic": 0.026981471371617875,
"volume": 185.31235495405778,
"volume_molar": 22.319541722008385,
"formula_full": "Rb1 Sr1 Cl3",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy": -21.21771562,
"energy_per_atom": -4.243543124,
"energy_above_hull": null,
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"energy_uncorrected": -19.37571562,
"band_gap": 4.621,
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"updated_at": "2021-11-28T01:37:12.363000Z",
"spacegroup": 8
},
{
"id": "mp-998154",
"created_at": "2022-09-04T14:40:31.884848Z",
"structure_string": "Tl1 Ag1 Br3\n1.0\n3.821209 3.827653 0.000000\n-3.821209 3.827653 0.000000\n0.000000 0.015282 5.406504\nTl Ag Br\n1 1 3\ndirect\n0.002343 0.002343 0.998567 Tl\n0.501433 0.501433 0.514905 Ag\n0.000114 0.505453 0.517814 Br\n0.493719 0.493719 0.015043 Br\n0.505453 0.000114 0.517814 Br\n",
"nsites": 5,
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"elements": [
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Tl",
"density": 5.795348826320991,
"density_atomic": 0.031614777424111055,
"volume": 158.15388901605056,
"volume_molar": 19.04849962792149,
"formula_full": "Tl1 Ag1 Br3",
"formula_reduced": "TlAgBr3",
"formula_anonymous": "ABC3",
"energy": -14.19369753,
"energy_per_atom": -2.838739506,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -12.59169753,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.309000Z",
"spacegroup": 8
}
]
}