HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=12166",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=12164",
"results": [
{
"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-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,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.828000Z",
"spacegroup": 221
},
{
"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-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-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-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,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.873507170713019,
"density_atomic": 0.026507865976789426,
"volume": 188.62325637145042,
"volume_molar": 22.718316009568824,
"formula_full": "Rb1 In1 Br3",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy": -16.065105629999998,
"energy_per_atom": -3.2130211259999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.46310563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.098000Z",
"spacegroup": 8
},
{
"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,
"nelements": 3,
"elements": [
"Rb",
"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",
"formula_anonymous": "ABC3",
"energy": -17.948112589999997,
"energy_per_atom": -3.5896225179999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.10611259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.601000Z",
"spacegroup": 8
},
{
"id": "mp-998196",
"created_at": "2022-09-04T14:40:36.497493Z",
"structure_string": "Rb1 Cu1 Br3\n1.0\n5.186562 0.000000 0.000000\n0.000000 5.186562 0.000000\n0.000000 0.000000 5.186562\nRb Cu Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.500000 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-Rb",
"density": 4.626512523133676,
"density_atomic": 0.035836969982236955,
"volume": 139.52072405893446,
"volume_molar": 16.80426878440044,
"formula_full": "Rb1 Cu1 Br3",
"formula_reduced": "RbCuBr3",
"formula_anonymous": "ABC3",
"energy": -15.99451428,
"energy_per_atom": -3.198902856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.39251428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.663000Z",
"spacegroup": 221
},
{
"id": "mp-998197",
"created_at": "2022-09-04T14:43:59.353978Z",
"structure_string": "Rb1 Ca1 Cl3\n1.0\n3.838466 3.834983 0.000000\n-3.838466 3.834983 0.000000\n0.000000 0.009170 5.424248\nRb Ca Cl\n1 1 3\ndirect\n0.003013 0.003013 0.996572 Rb\n0.503302 0.503302 0.485299 Ca\n0.505363 0.001693 0.484499 Cl\n0.494536 0.494535 0.985503 Cl\n0.001693 0.505363 0.484499 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl-Rb",
"density": 2.4113939161668676,
"density_atomic": 0.031309730535941736,
"volume": 159.69476307885475,
"volume_molar": 19.234086837914287,
"formula_full": "Rb1 Ca1 Cl3",
"formula_reduced": "RbCaCl3",
"formula_anonymous": "ABC3",
"energy": -21.5456795,
"energy_per_atom": -4.309135899999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.7036795,
"band_gap": 4.6234,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.799000Z",
"spacegroup": 8
},
{
"id": "mp-998198",
"created_at": "2022-09-04T14:42:52.628182Z",
"structure_string": "Rb1 Ca1 Br3\n1.0\n4.061888 4.060041 0.000000\n-4.061888 4.060041 0.000000\n0.000000 0.008830 5.740419\nRb Ca Br\n1 1 3\ndirect\n0.001636 0.001636 0.998102 Rb\n0.504852 0.504852 0.483013 Ca\n0.504395 0.001539 0.485819 Br\n0.492299 0.492299 0.983957 Br\n0.001539 0.504395 0.485819 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Br"
],
"chemical_system": "Br-Ca-Rb",
"density": 3.203440367813513,
"density_atomic": 0.02640815448418337,
"volume": 189.3354570837068,
"volume_molar": 22.80409546834043,
"formula_full": "Rb1 Ca1 Br3",
"formula_reduced": "RbCaBr3",
"formula_anonymous": "ABC3",
"energy": -19.19678369,
"energy_per_atom": -3.839356738,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59478369,
"band_gap": 4.0722,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.562000Z",
"spacegroup": 8
},
{
"id": "mp-998201",
"created_at": "2022-09-04T14:41:22.392466Z",
"structure_string": "Rb1 Ag1 Cl3\n1.0\n5.165475 0.000000 0.000000\n0.000000 5.167096 0.000000\n0.000000 0.005706 5.169280\nRb Ag Cl\n1 1 3\ndirect\n0.000000 0.999932 0.994995 Rb\n0.500000 0.503336 0.485566 Ag\n0.000000 0.505495 0.485547 Cl\n0.500000 0.497975 0.985590 Cl\n0.500000 0.003260 0.488303 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb",
"density": 3.606963466959938,
"density_atomic": 0.03623957977563337,
"volume": 137.97069477505036,
"volume_molar": 16.617578893806996,
"formula_full": "Rb1 Ag1 Cl3",
"formula_reduced": "RbAgCl3",
"formula_anonymous": "ABC3",
"energy": -16.4630948,
"energy_per_atom": -3.29261896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.621094800000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.370000Z",
"spacegroup": 6
},
{
"id": "mp-998204",
"created_at": "2022-09-04T14:41:21.192932Z",
"structure_string": "Rb1 In1 Cl3\n1.0\n3.860062 3.850696 0.000000\n-3.860062 3.850696 0.000000\n0.000000 0.021833 5.452916\nRb In Cl\n1 1 3\ndirect\n0.998308 0.998308 0.002864 Rb\n0.498450 0.498450 0.514237 In\n0.999907 0.495830 0.515894 Cl\n0.504657 0.504657 0.014376 Cl\n0.495830 0.999907 0.515894 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"In",
"Cl"
],
"chemical_system": "Cl-In-Rb",
"density": 3.14117682370784,
"density_atomic": 0.03084449661457734,
"volume": 162.1034722167248,
"volume_molar": 19.52419854747732,
"formula_full": "Rb1 In1 Cl3",
"formula_reduced": "RbInCl3",
"formula_anonymous": "ABC3",
"energy": -17.94815475,
"energy_per_atom": -3.58963095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.10615475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.365000Z",
"spacegroup": 99
}
]
}