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=10395",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10393",
"results": [
{
"id": "mp-989530",
"created_at": "2022-09-04T14:41:54.559934Z",
"structure_string": "Sr2 Tc2 N6\n1.0\n1.886390 6.273527 0.000000\n-1.886390 6.273527 0.000000\n0.000000 1.737942 6.479931\nSr Tc N\n2 2 6\ndirect\n0.616080 0.616080 0.670140 Sr\n0.383920 0.383920 0.329860 Sr\n0.157260 0.157260 0.140600 Tc\n0.842740 0.842740 0.859400 Tc\n0.318080 0.318080 0.987770 N\n0.006800 0.006800 0.091440 N\n0.993200 0.993200 0.908560 N\n0.156320 0.156320 0.404200 N\n0.681920 0.681920 0.012230 N\n0.843680 0.843680 0.595800 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Tc",
"N"
],
"chemical_system": "N-Sr-Tc",
"density": 4.929288382537843,
"density_atomic": 0.06520131667604712,
"volume": 153.37113588802234,
"volume_molar": 9.23622568838758,
"formula_full": "Sr2 Tc2 N6",
"formula_reduced": "SrTcN3",
"formula_anonymous": "ABC3",
"energy": -79.74125774,
"energy_per_atom": -7.974125773999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.57525774,
"band_gap": 0.5244,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.078000Z",
"spacegroup": 12
},
{
"id": "mp-973613",
"created_at": "2022-09-04T14:41:55.670319Z",
"structure_string": "Li1 Ce1 O3\n1.0\n3.683360 0.000000 0.000000\n0.000000 3.683360 0.000000\n0.000000 0.000000 3.683360\nLi Ce O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\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": [
"Li",
"Ce",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 6.481479140444835,
"density_atomic": 0.10005470177224539,
"volume": 49.97266406711705,
"volume_molar": 6.018848343287459,
"formula_full": "Li1 Ce1 O3",
"formula_reduced": "LiCeO3",
"formula_anonymous": "ABC3",
"energy": -35.41605705,
"energy_per_atom": -7.08321141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.35505705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0025296,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.492000Z",
"spacegroup": 221
},
{
"id": "mp-981934",
"created_at": "2022-09-04T14:41:56.866601Z",
"structure_string": "La1 Be1 O3\n1.0\n3.707597 0.000000 0.000000\n0.000000 3.707597 0.000000\n0.000000 0.000000 3.707597\nLa Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Be\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": [
"La",
"Be",
"O"
],
"chemical_system": "Be-La-O",
"density": 6.383239042690798,
"density_atomic": 0.09810529275879101,
"volume": 50.965649858396255,
"volume_molar": 6.138446347442726,
"formula_full": "La1 Be1 O3",
"formula_reduced": "LaBeO3",
"formula_anonymous": "ABC3",
"energy": -38.11753576,
"energy_per_atom": -7.623507152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.05653576,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9987437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.062000Z",
"spacegroup": 221
},
{
"id": "mp-1105280",
"created_at": "2022-09-04T14:41:56.997587Z",
"structure_string": "Li4 Ta4 O12\n1.0\n4.749778 0.000000 0.000000\n0.000000 5.117239 0.000000\n0.000000 0.000000 8.834571\nLi Ta O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.558241 0.551081 0.250000 Ta\n0.941759 0.051081 0.250000 Ta\n0.441759 0.448919 0.750000 Ta\n0.058241 0.948919 0.750000 Ta\n0.301469 0.879701 0.250000 O\n0.198531 0.379701 0.250000 O\n0.698531 0.120299 0.750000 O\n0.801469 0.620299 0.750000 O\n0.788988 0.793163 0.105918 O\n0.711012 0.293163 0.394082 O\n0.211012 0.206837 0.605918 O\n0.288988 0.706837 0.894082 O\n0.211012 0.206837 0.894082 O\n0.288988 0.706837 0.605918 O\n0.788988 0.793163 0.394082 O\n0.711012 0.293163 0.105918 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Ta",
"O"
],
"chemical_system": "Li-O-Ta",
"density": 7.296570199160666,
"density_atomic": 0.09313984644634167,
"volume": 214.7308672182759,
"volume_molar": 6.465697539526636,
"formula_full": "Li4 Ta4 O12",
"formula_reduced": "LiTaO3",
"formula_anonymous": "ABC3",
"energy": -174.77702886999998,
"energy_per_atom": -8.7388514435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.53302887,
"band_gap": 2.4709,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.492000Z",
"spacegroup": 62
},
{
"id": "mp-1207932",
"created_at": "2022-09-04T14:41:57.533145Z",
"structure_string": "Tm3 Ga9 Os3\n1.0\n6.397716 0.000000 0.000000\n0.000000 6.397716 0.000000\n0.000000 0.000000 6.397716\nTm Ga Os\n3 9 3\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.286429 0.286429 0.286429 Ga\n0.713571 0.713571 0.713571 Ga\n0.713571 0.713571 0.286429 Ga\n0.713571 0.286429 0.713571 Ga\n0.286429 0.286429 0.713571 Ga\n0.286429 0.713571 0.286429 Ga\n0.286429 0.713571 0.713571 Ga\n0.713571 0.286429 0.286429 Ga\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"Os"
],
"chemical_system": "Ga-Os-Tm",
"density": 10.81181271454358,
"density_atomic": 0.05728176438980212,
"volume": 261.86344222788034,
"volume_molar": 10.513190059962826,
"formula_full": "Tm3 Ga9 Os3",
"formula_reduced": "TmGa3Os",
"formula_anonymous": "ABC3",
"energy": -81.58315675,
"energy_per_atom": -5.438877116666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.58315675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.004000Z",
"spacegroup": 221
},
{
"id": "mp-989534",
"created_at": "2022-09-04T14:41:54.444824Z",
"structure_string": "La2 Mo2 N6\n1.0\n3.890390 0.000000 0.000000\n0.000000 5.835590 0.000000\n0.000000 2.588093 7.556888\nLa Mo N\n2 2 6\ndirect\n0.750000 0.258250 0.689480 La\n0.250000 0.741750 0.310520 La\n0.750000 0.355210 0.169170 Mo\n0.250000 0.644790 0.830830 Mo\n0.750000 0.458510 0.366890 N\n0.750000 0.031270 0.237020 N\n0.250000 0.541490 0.633110 N\n0.750000 0.520140 0.890260 N\n0.250000 0.479860 0.109740 N\n0.250000 0.968730 0.762980 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Mo",
"N"
],
"chemical_system": "La-Mo-N",
"density": 5.359535447880464,
"density_atomic": 0.05828799313417638,
"volume": 171.56191974186592,
"volume_molar": 10.331700297413393,
"formula_full": "La2 Mo2 N6",
"formula_reduced": "LaMoN3",
"formula_anonymous": "ABC3",
"energy": -92.50023062,
"energy_per_atom": -9.250023062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.33423062,
"band_gap": 1.2237999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.938000Z",
"spacegroup": 11
},
{
"id": "mp-1188609",
"created_at": "2022-09-04T14:41:57.712390Z",
"structure_string": "Ho4 Co4 O12\n1.0\n0.000000 0.000000 3.851742\n5.685668 0.000000 0.000000\n0.000000 12.251152 0.000000\nHo Co O\n4 4 12\ndirect\n0.584575 0.664207 0.250000 Ho\n0.915425 0.164207 0.250000 Ho\n0.415425 0.335793 0.750000 Ho\n0.084575 0.835793 0.750000 Ho\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.391698 0.002623 0.250000 O\n0.108302 0.502623 0.250000 O\n0.608302 0.997377 0.750000 O\n0.891698 0.497377 0.750000 O\n0.745213 0.748171 0.072868 O\n0.754787 0.248171 0.427132 O\n0.254787 0.251829 0.572868 O\n0.245213 0.751829 0.927132 O\n0.254787 0.251829 0.927132 O\n0.245213 0.751829 0.572868 O\n0.745213 0.748171 0.427132 O\n0.754787 0.248171 0.072868 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Co",
"O"
],
"chemical_system": "Co-Ho-O",
"density": 6.730410091104782,
"density_atomic": 0.07454428983346227,
"volume": 268.29687484690714,
"volume_molar": 8.078607728980893,
"formula_full": "Ho4 Co4 O12",
"formula_reduced": "HoCoO3",
"formula_anonymous": "ABC3",
"energy": -150.51569651,
"energy_per_atom": -7.5257848255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.71969651,
"band_gap": 0.1620000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.398000Z",
"spacegroup": 62
},
{
"id": "mp-1184359",
"created_at": "2022-09-04T14:41:51.542887Z",
"structure_string": "Eu1 Hg1 O3\n1.0\n4.240331 0.000000 0.000000\n0.000000 4.240331 0.000000\n0.000000 0.000000 4.240331\nEu Hg O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Hg\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": [
"Eu",
"Hg",
"O"
],
"chemical_system": "Eu-Hg-O",
"density": 8.723865115951115,
"density_atomic": 0.06557989659982742,
"volume": 76.2428771504522,
"volume_molar": 9.182906762948218,
"formula_full": "Eu1 Hg1 O3",
"formula_reduced": "EuHgO3",
"formula_anonymous": "ABC3",
"energy": -32.46552991,
"energy_per_atom": -6.493105982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.40452991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5805648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.187000Z",
"spacegroup": 221
},
{
"id": "mp-1180714",
"created_at": "2022-09-04T14:41:54.250885Z",
"structure_string": "K2 Sb2 O6\n1.0\n3.745254 0.000000 0.000000\n-1.401478 -5.930159 0.000000\n-1.291723 0.029404 -8.241655\nK Sb O\n2 2 6\ndirect\n0.141662 0.299105 0.858446 K\n0.858338 0.700895 0.141554 K\n0.703864 0.772780 0.635339 Sb\n0.296136 0.227220 0.364661 Sb\n0.262166 0.393693 0.169786 O\n0.732422 0.061088 0.347129 O\n0.180432 0.475327 0.528237 O\n0.737834 0.606307 0.830214 O\n0.267578 0.938912 0.652871 O\n0.819568 0.524673 0.471763 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sb",
"O"
],
"chemical_system": "K-O-Sb",
"density": 3.789352822327881,
"density_atomic": 0.054630849634193526,
"volume": 183.04675960486958,
"volume_molar": 11.023333520024066,
"formula_full": "K2 Sb2 O6",
"formula_reduced": "KSbO3",
"formula_anonymous": "ABC3",
"energy": -52.54579815,
"energy_per_atom": -5.2545798150000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.57979815,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2772321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.367000Z",
"spacegroup": 2
},
{
"id": "mp-1016884",
"created_at": "2022-09-04T14:41:59.375527Z",
"structure_string": "Ca1 Ge1 O3\n1.0\n3.783237 0.000000 0.000000\n0.000000 3.783237 0.000000\n0.000000 0.000000 3.783237\nCa Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ge\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": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 4.928537978810958,
"density_atomic": 0.09233776514023595,
"volume": 54.1490255087543,
"volume_molar": 6.52186107261098,
"formula_full": "Ca1 Ge1 O3",
"formula_reduced": "CaGeO3",
"formula_anonymous": "ABC3",
"energy": -34.36856047,
"energy_per_atom": -6.873712094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30756047,
"band_gap": 0.5017000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.331000Z",
"spacegroup": 221
},
{
"id": "mp-978987",
"created_at": "2022-09-04T14:41:51.968362Z",
"structure_string": "Sr1 Ge3 Pd1\n1.0\n-2.255226 2.255226 5.213573\n2.255226 -2.255226 5.213573\n2.255226 2.255226 -5.213573\nSr Ge Pd\n1 3 1\ndirect\n0.999942 0.999942 0.000000 Sr\n0.399825 0.399825 0.000000 Ge\n0.753516 0.253516 0.500000 Ge\n0.253516 0.753516 0.500000 Ge\n0.640898 0.640898 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sr",
"density": 6.449537276273672,
"density_atomic": 0.047140524963600036,
"volume": 106.06585318811773,
"volume_molar": 12.774869954566794,
"formula_full": "Sr1 Ge3 Pd1",
"formula_reduced": "SrGe3Pd",
"formula_anonymous": "ABC3",
"energy": -23.5031058,
"energy_per_atom": -4.70062116,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.5031058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.271000Z",
"spacegroup": 107
},
{
"id": "mp-989641",
"created_at": "2022-09-04T14:42:02.357572Z",
"structure_string": "La2 Os2 N6\n1.0\n4.766719 0.000000 0.000000\n0.000000 3.836983 0.000000\n0.000000 0.917647 7.351475\nLa Os N\n2 2 6\ndirect\n0.250000 0.919474 0.287207 La\n0.750000 0.080526 0.712793 La\n0.750000 0.483679 0.094029 Os\n0.250000 0.516321 0.905971 Os\n0.250000 0.538625 0.631605 N\n0.750000 0.461375 0.368395 N\n0.750000 0.985431 0.092785 N\n0.250000 0.297327 0.534752 N\n0.750000 0.702673 0.465248 N\n0.250000 0.014569 0.907215 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Os",
"N"
],
"chemical_system": "La-N-Os",
"density": 9.167505201574674,
"density_atomic": 0.07437313518020701,
"volume": 134.4571527846699,
"volume_molar": 8.09719900258108,
"formula_full": "La2 Os2 N6",
"formula_reduced": "LaOsN3",
"formula_anonymous": "ABC3",
"energy": -88.23106173,
"energy_per_atom": -8.823106173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.06506173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.828000Z",
"spacegroup": 11
}
]
}