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=nsites&page=78",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=76",
"results": [
{
"id": "mp-1059462",
"created_at": "2022-09-04T14:40:15.771187Z",
"structure_string": "Mo1 N1\n1.0\n1.452514 -2.515827 0.000000\n1.452514 2.515827 0.000000\n0.000000 0.000000 3.825158\nMo N\n1 1\ndirect\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 6.530565974552215,
"density_atomic": 0.07154009634634041,
"volume": 27.95635038451145,
"volume_molar": 8.417853857570405,
"formula_full": "Mo1 N1",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy": -17.762358900000002,
"energy_per_atom": -8.881179450000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.4013589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.021823,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.943000Z",
"spacegroup": 191
},
{
"id": "mp-1002228",
"created_at": "2022-09-04T14:40:01.842251Z",
"structure_string": "Pt1 C1\n1.0\n2.816051 0.000000 0.000000\n0.000000 2.816051 0.000000\n0.000000 0.000000 2.816051\nPt C\n1 1\ndirect\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pt",
"C"
],
"chemical_system": "C-Pt",
"density": 15.399142381539908,
"density_atomic": 0.08955883761096974,
"volume": 22.331687785941376,
"volume_molar": 6.724228362765586,
"formula_full": "Pt1 C1",
"formula_reduced": "PtC",
"formula_anonymous": "AB",
"energy": -11.28162044,
"energy_per_atom": -5.64081022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.28162044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.59e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.229000Z",
"spacegroup": 221
},
{
"id": "mp-1002122",
"created_at": "2022-09-04T14:40:16.125795Z",
"structure_string": "Hf1 Ir1\n1.0\n3.284961 0.000000 0.000000\n0.000000 3.284961 0.000000\n0.000000 0.000000 3.284961\nHf Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Ir"
],
"chemical_system": "Hf-Ir",
"density": 17.3655775067149,
"density_atomic": 0.05642081328934543,
"volume": 35.447911566664395,
"volume_molar": 10.673615655124255,
"formula_full": "Hf1 Ir1",
"formula_reduced": "HfIr",
"formula_anonymous": "AB",
"energy": -20.60674136,
"energy_per_atom": -10.30337068,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.60674136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024081,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.630000Z",
"spacegroup": 221
},
{
"id": "mp-1216634",
"created_at": "2022-09-04T14:40:10.934862Z",
"structure_string": "Ti1 Nb1\n1.0\n1.639802 -2.321295 0.000000\n1.639802 2.321295 0.000000\n0.000000 0.000000 4.639391\nTi Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Nb"
],
"chemical_system": "Nb-Ti",
"density": 6.618459515539193,
"density_atomic": 0.056626181499246885,
"volume": 35.31935135033959,
"volume_molar": 10.634905269182054,
"formula_full": "Ti1 Nb1",
"formula_reduced": "TiNb",
"formula_anonymous": "AB",
"energy": -17.92708094,
"energy_per_atom": -8.96354047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.92708094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0224333,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.950000Z",
"spacegroup": 65
},
{
"id": "mp-1009601",
"created_at": "2022-09-04T14:40:15.916502Z",
"structure_string": "Pd1 N1\n1.0\n1.508369 -2.612571 0.000000\n1.508369 2.612571 0.000000\n0.000000 0.000000 2.879205\nPd N\n1 1\ndirect\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pd",
"N"
],
"chemical_system": "N-Pd",
"density": 8.812387782457836,
"density_atomic": 0.0881356703721102,
"volume": 22.69228782802659,
"volume_molar": 6.832807573340539,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -11.23825131,
"energy_per_atom": -5.619125655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.87725131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.949000Z",
"spacegroup": 187
},
{
"id": "mp-1018157",
"created_at": "2022-09-04T14:40:11.166870Z",
"structure_string": "Cr1 N1\n1.0\n0.000000 2.200042 2.200042\n2.200042 0.000000 2.200042\n2.200042 2.200042 0.000000\nCr N\n1 1\ndirect\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 5.146222344134499,
"density_atomic": 0.09390897158709945,
"volume": 21.29721970328494,
"volume_molar": 6.412742742491368,
"formula_full": "Cr1 N1",
"formula_reduced": "CrN",
"formula_anonymous": "AB",
"energy": -19.31514477,
"energy_per_atom": -9.657572385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.95414477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8438667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.754000Z",
"spacegroup": 216
},
{
"id": "mp-2283",
"created_at": "2022-09-04T14:46:42.719361Z",
"structure_string": "Zr1 Co1\n1.0\n3.194368 0.000000 0.000000\n0.000000 3.194368 0.000000\n0.000000 0.000000 3.194368\nZr Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 7.649629559253404,
"density_atomic": 0.06135855958630631,
"volume": 32.595289287826596,
"volume_molar": 9.814671010210597,
"formula_full": "Zr1 Co1",
"formula_reduced": "ZrCo",
"formula_anonymous": "AB",
"energy": -16.23938799,
"energy_per_atom": -8.119693995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.23938799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8974058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.274000Z",
"spacegroup": 221
},
{
"id": "mp-2195",
"created_at": "2022-09-04T14:46:56.714812Z",
"structure_string": "Lu1 Mg1\n1.0\n3.727945 0.000000 0.000000\n0.000000 3.727945 0.000000\n0.000000 0.000000 3.727945\nLu Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Mg"
],
"chemical_system": "Lu-Mg",
"density": 6.386852520311816,
"density_atomic": 0.03860303996945918,
"volume": 51.80939121847143,
"volume_molar": 15.600172330377143,
"formula_full": "Lu1 Mg1",
"formula_reduced": "LuMg",
"formula_anonymous": "AB",
"energy": -6.2133547,
"energy_per_atom": -3.10667735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.2133547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0127457,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.872000Z",
"spacegroup": 221
},
{
"id": "mp-569593",
"created_at": "2022-09-04T14:46:42.627810Z",
"structure_string": "Pm1 Mg1\n1.0\n3.862158 0.000000 0.000000\n0.000000 3.862158 0.000000\n0.000000 0.000000 3.862158\nPm Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"Mg"
],
"chemical_system": "Mg-Pm",
"density": 4.880100562881528,
"density_atomic": 0.03471681583270888,
"volume": 57.60896994809285,
"volume_molar": 17.346466303301252,
"formula_full": "Pm1 Mg1",
"formula_reduced": "PmMg",
"formula_anonymous": "AB",
"energy": -6.56116217,
"energy_per_atom": -3.280581085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.56116217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0994209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.527000Z",
"spacegroup": 221
},
{
"id": "mp-1206750",
"created_at": "2022-09-04T14:46:52.360323Z",
"structure_string": "Cr1 Pt1\n1.0\n2.669490 0.000000 0.000000\n0.000000 2.669490 0.000000\n0.000000 0.000000 3.856506\nCr Pt\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Pt"
],
"chemical_system": "Cr-Pt",
"density": 14.929190435287646,
"density_atomic": 0.07277452637036924,
"volume": 27.482143818036814,
"volume_molar": 8.275066922939077,
"formula_full": "Cr1 Pt1",
"formula_reduced": "CrPt",
"formula_anonymous": "AB",
"energy": -15.97120115,
"energy_per_atom": -7.985600575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97120115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7930749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.654000Z",
"spacegroup": 123
},
{
"id": "mp-607540",
"created_at": "2022-09-04T14:46:58.045403Z",
"structure_string": "O2\n1.0\n0.000000 1.889885 3.898837\n1.501773 0.000000 3.898837\n1.501773 1.889885 0.000000\nO\n2\ndirect\n0.421098 0.421098 0.578902 O\n0.578902 0.578902 0.421098 O\n",
"nsites": 2,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.4009219653451197,
"density_atomic": 0.09037020159556464,
"volume": 22.13118887297204,
"volume_molar": 6.6638567289591695,
"formula_full": "O2",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -9.64872816,
"energy_per_atom": -4.82436408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.64872816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010728,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.451000Z",
"spacegroup": 69
},
{
"id": "mp-2773",
"created_at": "2022-09-04T14:46:55.333258Z",
"structure_string": "Be1 Co1\n1.0\n2.591899 0.000000 0.000000\n0.000000 2.591899 0.000000\n0.000000 0.000000 2.591899\nBe Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Co"
],
"chemical_system": "Be-Co",
"density": 6.479698337891547,
"density_atomic": 0.1148618411127691,
"volume": 17.41222307272995,
"volume_molar": 5.242942914424973,
"formula_full": "Be1 Co1",
"formula_reduced": "BeCo",
"formula_anonymous": "AB",
"energy": -11.45948122,
"energy_per_atom": -5.72974061,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.45948122,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4027209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.974000Z",
"spacegroup": 221
}
]
}