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=elements&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=36",
"results": [
{
"id": "mp-1057818",
"created_at": "2022-09-04T14:42:24.625342Z",
"structure_string": "O2\n1.0\n0.000000 2.142855 2.142855\n2.142855 0.000000 2.142855\n2.142855 2.142855 0.000000\nO\n2\ndirect\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.7000663693942357,
"density_atomic": 0.1016299345191283,
"volume": 19.679241253703353,
"volume_molar": 5.925558043990024,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.13423966,
"energy_per_atom": -3.06711983,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13423966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.200000Z",
"spacegroup": 227
},
{
"id": "mp-1058623",
"created_at": "2022-09-04T14:42:01.369682Z",
"structure_string": "O2\n1.0\n0.766099 -2.307710 0.000000\n0.766099 2.307710 0.000000\n0.000000 0.000000 5.701631\nO\n2\ndirect\n0.166302 0.833698 0.250000 O\n0.833698 0.166302 0.750000 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.635648916454226,
"density_atomic": 0.09920527503727601,
"volume": 20.16021828726857,
"volume_molar": 6.070383613912872,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -6.75460832,
"energy_per_atom": -3.37730416,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.75460832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.355000Z",
"spacegroup": 63
},
{
"id": "mp-1180050",
"created_at": "2022-09-04T14:42:15.429650Z",
"structure_string": "O8\n1.0\n4.230595 3.406919 0.000000\n-4.230595 3.406919 0.000000\n0.000000 1.349883 3.127495\nO\n8\ndirect\n0.774957 0.113939 0.647086 O\n0.886061 0.225043 0.852914 O\n0.225043 0.886061 0.352914 O\n0.113939 0.774957 0.147086 O\n0.717711 0.753319 0.827685 O\n0.246681 0.282289 0.672315 O\n0.282289 0.246681 0.172315 O\n0.753319 0.717711 0.327685 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.3575065117612257,
"density_atomic": 0.08873605298541794,
"volume": 90.15501288202042,
"volume_molar": 6.786577222439253,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -33.4314924,
"energy_per_atom": -4.17893655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.4314924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.829000Z",
"spacegroup": 15
},
{
"id": "mp-1066100",
"created_at": "2022-09-04T14:47:10.476931Z",
"structure_string": "O4\n1.0\n1.262238 -2.186261 0.000000\n1.262238 2.186261 0.000000\n0.000000 0.000000 7.969360\nO\n4\ndirect\n0.333333 0.666667 0.327109 O\n0.666667 0.333333 0.672891 O\n0.666667 0.333333 0.827109 O\n0.333333 0.666667 0.172891 O\n",
"nsites": 4,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.416106566021988,
"density_atomic": 0.0909417467953352,
"volume": 43.984200226569406,
"volume_molar": 6.6219761245106215,
"formula_full": "O4",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -19.28900299,
"energy_per_atom": -4.8222507475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.28900299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.239000Z",
"spacegroup": 194
},
{
"id": "mp-1056831",
"created_at": "2022-09-04T14:42:05.634261Z",
"structure_string": "O1\n1.0\n1.520366 0.000000 0.000000\n0.000000 3.095662 0.000000\n0.000000 1.031631 4.600127\nO\n1\ndirect\n0.500000 0.000000 0.500000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.227103760216571,
"density_atomic": 0.046187929382997074,
"volume": 21.65067829102824,
"volume_molar": 13.03834322180483,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.63686277,
"energy_per_atom": -3.63686277,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.63686277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014534,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.778000Z",
"spacegroup": 10
},
{
"id": "mp-1180064",
"created_at": "2022-09-04T14:48:06.363050Z",
"structure_string": "O10\n1.0\n5.160296 0.000000 0.000000\n-0.023517 5.240192 0.000000\n-0.051073 -0.024406 5.889941\nO\n10\ndirect\n0.866281 0.499618 0.988550 O\n0.094882 0.426418 0.980897 O\n0.374634 0.988089 0.511237 O\n0.601607 0.067239 0.523596 O\n0.500982 0.870895 0.014881 O\n0.427240 0.096182 0.018788 O\n0.925787 0.414374 0.482834 O\n0.986453 0.643905 0.486987 O\n0.610868 0.378399 0.500543 O\n0.111266 0.114881 0.991685 O\n",
"nsites": 10,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.668092138618401,
"density_atomic": 0.06278663989200188,
"volume": 159.2695518855733,
"volume_molar": 9.591436602370457,
"formula_full": "O10",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -45.60947433,
"energy_per_atom": -4.560947433,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.60947433,
"band_gap": 0.0423,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9993086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.037000Z",
"spacegroup": 1
},
{
"id": "mp-1180036",
"created_at": "2022-09-04T14:43:50.462061Z",
"structure_string": "O4\n1.0\n3.789457 0.000000 0.000000\n0.000000 3.117047 0.000000\n0.000000 1.244525 3.687930\nO\n4\ndirect\n0.305877 0.318705 0.332966 O\n0.305877 0.181295 0.667034 O\n0.694123 0.681295 0.667034 O\n0.694123 0.818705 0.332966 O\n",
"nsites": 4,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4395503263764504,
"density_atomic": 0.0918241650413136,
"volume": 43.56151780090041,
"volume_molar": 6.558339797906698,
"formula_full": "O4",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -19.67194765,
"energy_per_atom": -4.9179869125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.67194765,
"band_gap": 0.4642999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.780000Z",
"spacegroup": 13
},
{
"id": "mp-1102442",
"created_at": "2022-09-04T14:40:42.227787Z",
"structure_string": "O12\n1.0\n4.706001 0.000000 0.000000\n0.000000 4.706001 0.000000\n0.000000 0.000000 4.988869\nO\n12\ndirect\n0.595569 0.264971 0.507117 O\n0.404431 0.735029 0.007117 O\n0.764971 0.904431 0.257117 O\n0.235029 0.095569 0.757117 O\n0.735029 0.404431 0.992883 O\n0.264971 0.595569 0.492883 O\n0.904431 0.764971 0.742883 O\n0.095569 0.235029 0.242883 O\n0.969350 0.030650 0.750000 O\n0.030650 0.969350 0.250000 O\n0.530650 0.530650 0.500000 O\n0.469350 0.469350 0.000000 O\n",
"nsites": 12,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.885545384530622,
"density_atomic": 0.1086113259310781,
"volume": 110.485714976124,
"volume_molar": 5.5446710629621565,
"formula_full": "O12",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -50.50069568000001,
"energy_per_atom": -4.208391306666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.50069568000001,
"band_gap": 0.7723,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.922000Z",
"spacegroup": 92
},
{
"id": "mp-723285",
"created_at": "2022-09-04T14:47:57.169127Z",
"structure_string": "O8\n1.0\n4.262510 0.000000 0.000000\n0.000000 4.262510 0.000000\n0.000000 0.000000 8.980318\nO\n8\ndirect\n0.547471 0.363461 0.529930 O\n0.452529 0.636539 0.029930 O\n0.863461 0.952529 0.279930 O\n0.136539 0.047471 0.779930 O\n0.636539 0.452529 0.970070 O\n0.363461 0.547471 0.470070 O\n0.952529 0.863461 0.720070 O\n0.047471 0.136539 0.220070 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.3026275029235828,
"density_atomic": 0.049030627293298844,
"volume": 163.16332141019504,
"volume_molar": 12.282406105016452,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.57350969,
"energy_per_atom": -4.94668871125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.57350969,
"band_gap": 1.4592,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.023000Z",
"spacegroup": 92
},
{
"id": "mp-1009490",
"created_at": "2022-09-04T14:45:20.147462Z",
"structure_string": "O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.1409697618155776,
"density_atomic": 0.042945863663209745,
"volume": 46.57025914496468,
"volume_molar": 14.022632790032727,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.89248683,
"energy_per_atom": -4.946243415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.89248683,
"band_gap": 1.6288,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9990628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.049000Z",
"spacegroup": 12
},
{
"id": "mp-560602",
"created_at": "2022-09-04T14:41:05.721641Z",
"structure_string": "O24\n1.0\n6.859829 0.000000 0.000000\n0.000000 7.128355 0.000000\n0.000000 0.000000 7.983573\nO\n24\ndirect\n0.757307 0.362980 0.003180 O\n0.446246 0.938678 0.698541 O\n0.257307 0.137020 0.996820 O\n0.742693 0.637020 0.503180 O\n0.257307 0.362980 0.496820 O\n0.155617 0.187281 0.123934 O\n0.655617 0.187281 0.376066 O\n0.053754 0.061322 0.198541 O\n0.946246 0.561322 0.301459 O\n0.053754 0.438678 0.698541 O\n0.553754 0.061322 0.301459 O\n0.757307 0.137020 0.503180 O\n0.242693 0.637020 0.996820 O\n0.946246 0.938678 0.801459 O\n0.446246 0.561322 0.198541 O\n0.655617 0.312719 0.876066 O\n0.344383 0.812719 0.623934 O\n0.742693 0.862980 0.003180 O\n0.844383 0.687281 0.376066 O\n0.155617 0.312719 0.623934 O\n0.242693 0.862980 0.496820 O\n0.553754 0.438678 0.801459 O\n0.844383 0.812719 0.876066 O\n0.344383 0.687281 0.123934 O\n",
"nsites": 24,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.6332930910367458,
"density_atomic": 0.06147681100514933,
"volume": 390.39110206919725,
"volume_molar": 9.795792367134306,
"formula_full": "O24",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -108.87989591000002,
"energy_per_atom": -4.536662329583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.87989591000002,
"band_gap": 1.3241,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.789000Z",
"spacegroup": 61
},
{
"id": "mp-1087546",
"created_at": "2022-09-04T14:47:34.137712Z",
"structure_string": "O8\n1.0\n4.565600 3.970196 0.000000\n-4.565600 3.970196 0.000000\n0.000000 2.164898 3.946012\nO\n8\ndirect\n0.711206 0.006915 0.606040 O\n0.993085 0.288794 0.893960 O\n0.288794 0.993085 0.393960 O\n0.006915 0.711206 0.106040 O\n0.598692 0.822027 0.860867 O\n0.177973 0.401308 0.639133 O\n0.401308 0.177973 0.139133 O\n0.822027 0.598692 0.360867 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.4857460231158937,
"density_atomic": 0.05592317016829473,
"volume": 143.05340659202378,
"volume_molar": 10.768596883683488,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.43974671,
"energy_per_atom": -4.92996833875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.43974671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0015409,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.661000Z",
"spacegroup": 15
}
]
}