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=formula_anonymous&page=10234",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10232",
"results": [
{
"id": "mp-13641",
"created_at": "2022-09-04T14:43:04.709242Z",
"structure_string": "Ti2 Cd2 O6\n1.0\n5.262634 -2.653261 0.000000\n5.262634 2.653261 0.000000\n3.924940 0.000000 4.396585\nTi Cd O\n2 2 6\ndirect\n0.149239 0.149239 0.149239 Ti\n0.850761 0.850761 0.850761 Ti\n0.363268 0.363268 0.363268 Cd\n0.636732 0.636732 0.636732 Cd\n0.562912 0.963324 0.194546 O\n0.963324 0.194546 0.562912 O\n0.194546 0.562912 0.963324 O\n0.437088 0.036676 0.805454 O\n0.805454 0.437088 0.036676 O\n0.036676 0.805454 0.437088 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"O"
],
"chemical_system": "Cd-O-Ti",
"density": 5.633653451955924,
"density_atomic": 0.08144630565677402,
"volume": 122.7802773785883,
"volume_molar": 7.394001129257025,
"formula_full": "Ti2 Cd2 O6",
"formula_reduced": "TiCdO3",
"formula_anonymous": "ABC3",
"energy": -74.11338015,
"energy_per_atom": -7.411338015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.99138015,
"band_gap": 2.9057000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.46e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.609000Z",
"spacegroup": 148
},
{
"id": "mp-1016880",
"created_at": "2022-09-04T14:42:53.440835Z",
"structure_string": "Zn1 Rh1 O3\n1.0\n3.891291 0.000000 0.000000\n0.000000 3.891291 0.000000\n0.000000 0.000000 3.891291\nZn Rh O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Rh",
"O"
],
"chemical_system": "O-Rh-Zn",
"density": 6.096070583751542,
"density_atomic": 0.08485723480621765,
"volume": 58.92249507561895,
"volume_molar": 7.096791185515682,
"formula_full": "Zn1 Rh1 O3",
"formula_reduced": "ZnRhO3",
"formula_anonymous": "ABC3",
"energy": -26.89454682,
"energy_per_atom": -5.378909364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.83354682,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2274483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.392000Z",
"spacegroup": 221
},
{
"id": "mp-1184215",
"created_at": "2022-09-04T14:43:06.004131Z",
"structure_string": "Fe1 As1 O3\n1.0\n3.799462 0.000000 0.000000\n0.000000 3.799462 0.000000\n0.000000 0.000000 3.799462\nFe As O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 As\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 5.412087243894191,
"density_atomic": 0.09115986816027119,
"volume": 54.84869713950589,
"volume_molar": 6.606131493534277,
"formula_full": "Fe1 As1 O3",
"formula_reduced": "FeAsO3",
"formula_anonymous": "ABC3",
"energy": -32.41380145,
"energy_per_atom": -6.48276029,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.09680145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.6312272,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.249000Z",
"spacegroup": 221
},
{
"id": "mp-770779",
"created_at": "2022-09-04T14:42:54.434189Z",
"structure_string": "V4 Cr4 O12\n1.0\n5.106262 0.000586 0.000495\n-2.552508 1.473504 4.639973\n2.552736 -7.373022 4.641781\nV Cr O\n4 4 12\ndirect\n0.148071 0.871356 0.575162 V\n0.351578 0.876478 0.174162 V\n0.850336 0.125503 0.427157 V\n0.851536 0.629164 0.923329 V\n0.150189 0.375747 0.074753 Cr\n0.347380 0.370432 0.674781 Cr\n0.652811 0.627293 0.324173 Cr\n0.648664 0.127466 0.826899 Cr\n0.052572 0.524362 0.722806 O\n0.053157 0.026854 0.223199 O\n0.447384 0.873273 0.375095 O\n0.554029 0.623904 0.124429 O\n0.251522 0.776675 0.973225 O\n0.253008 0.279191 0.472668 O\n0.748310 0.719316 0.526453 O\n0.751644 0.225447 0.026479 O\n0.444989 0.373723 0.874699 O\n0.551287 0.125159 0.627608 O\n0.945726 0.977001 0.776547 O\n0.945807 0.471653 0.276377 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.78230918458953,
"density_atomic": 0.09540393689698383,
"volume": 209.63495480900113,
"volume_molar": 6.31225603038022,
"formula_full": "V4 Cr4 O12",
"formula_reduced": "VCrO3",
"formula_anonymous": "ABC3",
"energy": -183.14707197,
"energy_per_atom": -9.1573535985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.10707197,
"band_gap": 1.6807,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.093000Z",
"spacegroup": 1
},
{
"id": "mp-1105591",
"created_at": "2022-09-04T14:42:55.881677Z",
"structure_string": "Cd4 N4 Cl12\n1.0\n3.775054 0.000000 0.000000\n0.000000 9.826511 0.000000\n0.000000 0.000000 16.867689\nCd N Cl\n4 4 12\ndirect\n0.750000 0.661551 0.534914 Cd\n0.750000 0.161551 0.965086 Cd\n0.250000 0.338449 0.465086 Cd\n0.250000 0.838449 0.034914 Cd\n0.250000 0.717094 0.737087 N\n0.250000 0.217094 0.762913 N\n0.750000 0.282906 0.262913 N\n0.750000 0.782906 0.237087 N\n0.750000 0.692263 0.761635 Cl\n0.750000 0.192263 0.738365 Cl\n0.250000 0.307737 0.238365 Cl\n0.250000 0.807737 0.261635 Cl\n0.250000 0.491107 0.593861 Cl\n0.250000 0.991107 0.906139 Cl\n0.750000 0.508893 0.406139 Cl\n0.750000 0.008893 0.093861 Cl\n0.250000 0.829622 0.521904 Cl\n0.250000 0.329622 0.978096 Cl\n0.750000 0.170378 0.478096 Cl\n0.750000 0.670378 0.021904 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"N",
"Cl"
],
"chemical_system": "Cd-Cl-N",
"density": 2.4709872117892444,
"density_atomic": 0.03196332109420141,
"volume": 625.7172069528243,
"volume_molar": 18.84078548111979,
"formula_full": "Cd4 N4 Cl12",
"formula_reduced": "CdNCl3",
"formula_anonymous": "ABC3",
"energy": -61.86121788999999,
"energy_per_atom": -3.0930608944999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.49321789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0043463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.187000Z",
"spacegroup": 62
},
{
"id": "mp-505212",
"created_at": "2022-09-04T14:42:54.214227Z",
"structure_string": "Cs6 Au2 O2\n1.0\n4.049081 -7.013214 0.000000\n4.049081 7.013214 0.000000\n0.000000 0.000000 7.187854\nCs Au O\n6 2 2\ndirect\n0.157959 0.315917 0.250000 Cs\n0.842041 0.157959 0.750000 Cs\n0.315917 0.157959 0.750000 Cs\n0.684083 0.842041 0.250000 Cs\n0.157959 0.842041 0.250000 Cs\n0.842041 0.684083 0.750000 Cs\n0.666667 0.333333 0.250000 Au\n0.333333 0.666667 0.750000 Au\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Au",
"O"
],
"chemical_system": "Au-Cs-O",
"density": 4.976250402934344,
"density_atomic": 0.024496114391184338,
"volume": 408.2280087489631,
"volume_molar": 24.584065308607673,
"formula_full": "Cs6 Au2 O2",
"formula_reduced": "Cs3AuO",
"formula_anonymous": "ABC3",
"energy": -30.553040600000003,
"energy_per_atom": -3.05530406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.1790406,
"band_gap": 1.3261000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.655000Z",
"spacegroup": 194
},
{
"id": "mp-1179184",
"created_at": "2022-09-04T14:42:54.255403Z",
"structure_string": "Tl1 Br1 O3\n1.0\n3.095930 1.275239 1.473789\n-4.309927 3.978774 3.963915\n-1.667013 -3.378424 1.884745\nTl Br O\n1 1 3\ndirect\n0.889021 0.006612 0.000000 Tl\n0.243610 0.557479 0.000000 Br\n0.366221 0.819570 0.000000 O\n0.233170 0.185169 0.457192 O\n0.775978 0.185169 0.542808 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Br",
"O"
],
"chemical_system": "Br-O-Tl",
"density": 5.639358262881194,
"density_atomic": 0.05110215351990357,
"volume": 97.84323468975863,
"volume_molar": 11.78451463430883,
"formula_full": "Tl1 Br1 O3",
"formula_reduced": "TlBrO3",
"formula_anonymous": "ABC3",
"energy": -19.65327412,
"energy_per_atom": -3.930654824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59227412,
"band_gap": 0.0542,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.784000Z",
"spacegroup": 8
},
{
"id": "mp-998147",
"created_at": "2022-09-04T14:42:57.947668Z",
"structure_string": "Tl1 Cu1 Cl3\n1.0\n4.866705 0.000000 0.000000\n0.000000 4.866705 0.000000\n0.000000 0.000000 4.866705\nTl Cu Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cu\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": [
"Tl",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Tl",
"density": 5.3920049652162465,
"density_atomic": 0.043377541978165714,
"volume": 115.26702002886132,
"volume_molar": 13.883084391990844,
"formula_full": "Tl1 Cu1 Cl3",
"formula_reduced": "TlCuCl3",
"formula_anonymous": "ABC3",
"energy": -17.32434824,
"energy_per_atom": -3.4648696479999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.48234824,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.068000Z",
"spacegroup": 221
},
{
"id": "mp-27815",
"created_at": "2022-09-04T14:42:57.731366Z",
"structure_string": "Nb4 Cl12 O4\n1.0\n11.807750 0.000000 0.000000\n0.000000 11.807750 0.000000\n0.000000 0.000000 3.870291\nNb Cl O\n4 12 4\ndirect\n0.879801 0.879801 0.000000 Nb\n0.379801 0.620199 0.500000 Nb\n0.620199 0.379801 0.500000 Nb\n0.120199 0.120199 0.000000 Nb\n0.902316 0.097684 0.000000 Cl\n0.597684 0.597684 0.500000 Cl\n0.402316 0.402316 0.500000 Cl\n0.097684 0.902316 0.000000 Cl\n0.099515 0.313761 0.000000 Cl\n0.813761 0.400485 0.500000 Cl\n0.186239 0.599515 0.500000 Cl\n0.900485 0.686239 0.000000 Cl\n0.400485 0.813761 0.500000 Cl\n0.599515 0.186239 0.500000 Cl\n0.313761 0.099515 0.000000 Cl\n0.686239 0.900485 0.000000 Cl\n0.391301 0.608699 0.000000 O\n0.108699 0.108699 0.500000 O\n0.891301 0.891301 0.500000 O\n0.608699 0.391301 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Cl",
"O"
],
"chemical_system": "Cl-Nb-O",
"density": 2.649745415801568,
"density_atomic": 0.037063982035603356,
"volume": 539.6074275232533,
"volume_molar": 16.247959418432647,
"formula_full": "Nb4 Cl12 O4",
"formula_reduced": "NbCl3O",
"formula_anonymous": "ABC3",
"energy": -124.80401423,
"energy_per_atom": -6.2402007115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.68801423,
"band_gap": 2.4018,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.76e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.136000Z",
"spacegroup": 136
},
{
"id": "mp-757023",
"created_at": "2022-09-04T14:42:57.728880Z",
"structure_string": "V4 Cr4 O12\n1.0\n5.133697 0.000000 0.000000\n-0.010389 5.493019 0.000000\n-0.002177 -0.717782 7.459915\nV Cr O\n4 4 12\ndirect\n0.501446 0.797474 0.849311 V\n0.999640 0.298279 0.852771 V\n0.001590 0.702122 0.147886 V\n0.000038 0.297035 0.354176 V\n0.999227 0.699619 0.648510 Cr\n0.500039 0.800180 0.348971 Cr\n0.499869 0.199535 0.650280 Cr\n0.499365 0.199875 0.152175 Cr\n0.696737 0.499198 0.747184 O\n0.148148 0.655133 0.899990 O\n0.346544 0.849939 0.597492 O\n0.805316 0.999680 0.747109 O\n0.848080 0.653698 0.401212 O\n0.350876 0.154651 0.902610 O\n0.154678 0.350064 0.599324 O\n0.649687 0.849719 0.098272 O\n0.649492 0.149333 0.402856 O\n0.845694 0.347302 0.100424 O\n0.305034 0.498254 0.250145 O\n0.198501 0.998914 0.249303 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.765693823434238,
"density_atomic": 0.09507247132125567,
"volume": 210.36583694578405,
"volume_molar": 6.3342634059136005,
"formula_full": "V4 Cr4 O12",
"formula_reduced": "VCrO3",
"formula_anonymous": "ABC3",
"energy": -183.06962861,
"energy_per_atom": -9.1534814305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.02962861,
"band_gap": 1.3454999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9999964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.575000Z",
"spacegroup": 1
},
{
"id": "mp-753025",
"created_at": "2022-09-04T14:43:42.903079Z",
"structure_string": "Li4 Mn4 F12\n1.0\n2.712935 -4.698941 0.000000\n2.712935 4.698941 0.000000\n0.000000 0.000000 10.485407\nLi Mn F\n4 4 12\ndirect\n0.333333 0.666667 0.917194 Li\n0.333333 0.666667 0.582806 Li\n0.666667 0.333333 0.417194 Li\n0.666667 0.333333 0.082806 Li\n0.333333 0.666667 0.250000 Mn\n0.000000 0.000000 0.250000 Mn\n0.000000 0.000000 0.750000 Mn\n0.666667 0.333333 0.750000 Mn\n0.995587 0.663336 0.638759 F\n0.336664 0.004413 0.861241 F\n0.995587 0.332251 0.861241 F\n0.336664 0.332251 0.638759 F\n0.667749 0.004413 0.638759 F\n0.332251 0.336664 0.361241 F\n0.667749 0.663336 0.861241 F\n0.332251 0.995587 0.138759 F\n0.663336 0.667749 0.138759 F\n0.004413 0.667749 0.361241 F\n0.663336 0.995587 0.361241 F\n0.004413 0.336664 0.138759 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.953535713779442,
"density_atomic": 0.07481269966345405,
"volume": 267.3342907015824,
"volume_molar": 8.049623642898442,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -126.48062082,
"energy_per_atom": -6.324031041,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.26462082,
"band_gap": 3.5423,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.615000Z",
"spacegroup": 182
},
{
"id": "mp-1542758",
"created_at": "2022-09-04T14:43:35.719176Z",
"structure_string": "Sr2 Mo2 O6\n1.0\n5.732706 -0.017989 -0.035081\n2.862199 -4.077538 2.856674\n2.897868 -4.096763 -2.919938\nSr Mo O\n2 2 6\ndirect\n0.752572 0.743350 0.757428 Sr\n0.247428 0.256650 0.242572 Sr\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.764237 0.182526 0.328190 O\n0.235763 0.817474 0.671810 O\n0.220368 0.279418 0.782280 O\n0.294052 0.708271 0.195788 O\n0.705948 0.291729 0.804212 O\n0.779632 0.720582 0.217720 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sr",
"density": 5.694668839870292,
"density_atomic": 0.07405070808793665,
"volume": 135.04259794686644,
"volume_molar": 8.132455334321167,
"formula_full": "Sr2 Mo2 O6",
"formula_reduced": "SrMoO3",
"formula_anonymous": "ABC3",
"energy": -80.73330959,
"energy_per_atom": -8.073330959,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.20730959,
"band_gap": 1.3088000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.293000Z",
"spacegroup": 12
}
]
}