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=46",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=44",
"results": [
{
"id": "mp-1009078",
"created_at": "2022-09-04T14:46:20.110573Z",
"structure_string": "Co1 N1\n1.0\n0.000000 2.003702 2.003702\n2.003702 0.000000 2.003702\n2.003702 2.003702 0.000000\nCo N\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 7.528090659147261,
"density_atomic": 0.12430843674533089,
"volume": 16.08901255911837,
"volume_molar": 4.844514916020932,
"formula_full": "Co1 N1",
"formula_reduced": "CoN",
"formula_anonymous": "AB",
"energy": -14.84425751,
"energy_per_atom": -7.422128755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.48325751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0141299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.798000Z",
"spacegroup": 225
},
{
"id": "mp-1009079",
"created_at": "2022-09-04T14:48:13.935647Z",
"structure_string": "Cr1 Te1\n1.0\n0.000000 2.860465 2.860465\n2.860465 0.000000 2.860465\n2.860465 2.860465 0.000000\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.37097775568267,
"density_atomic": 0.042725788407219,
"volume": 46.81013679462209,
"volume_molar": 14.094861638603472,
"formula_full": "Cr1 Te1",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy": -13.21722871,
"energy_per_atom": -6.608614355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79522871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:39.128000Z",
"spacegroup": 225
},
{
"id": "mp-1009080",
"created_at": "2022-09-04T14:40:31.976743Z",
"structure_string": "Ho1 Cd2\n1.0\n2.714855 -4.702267 0.000000\n2.714855 4.702267 0.000000\n0.000000 0.000000 3.244331\nHo Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.951257 Cd\n0.333333 0.666667 0.048743 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho",
"density": 7.813196202984641,
"density_atomic": 0.036216975439272256,
"volume": 82.83408439311359,
"volume_molar": 16.62795053136831,
"formula_full": "Ho1 Cd2",
"formula_reduced": "HoCd2",
"formula_anonymous": "AB2",
"energy": -6.050043820000001,
"energy_per_atom": -2.0166812733333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.050043820000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.784000Z",
"spacegroup": 164
},
{
"id": "mp-1009082",
"created_at": "2022-09-04T14:46:17.410035Z",
"structure_string": "Mg2 Sn2 As4\n1.0\n-3.080649 3.080649 6.026012\n3.080649 -3.080649 6.026012\n3.080649 3.080649 -6.026012\nMg Sn As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.125601 0.125000 0.500601 As\n0.375000 0.874399 0.999399 As\n0.624399 0.625000 0.499399 As\n0.875000 0.375601 0.000601 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"As"
],
"chemical_system": "As-Mg-Sn",
"density": 4.251694590361433,
"density_atomic": 0.03497160509835188,
"volume": 228.75701522710546,
"volume_molar": 17.22008681918866,
"formula_full": "Mg2 Sn2 As4",
"formula_reduced": "MgSnAs2",
"formula_anonymous": "ABC2",
"energy": -32.35057827,
"energy_per_atom": -4.04382228375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.35057827,
"band_gap": 0.1863999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.937000Z",
"spacegroup": 122
},
{
"id": "mp-1009083",
"created_at": "2022-09-04T14:43:18.278993Z",
"structure_string": "Mg2 Sn2 P4\n1.0\n-2.961089 2.961089 5.824974\n2.961089 -2.961089 5.824974\n2.961089 2.961089 -5.824974\nMg Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.627512 0.625000 0.502512 P\n0.875000 0.372488 0.997488 P\n0.375000 0.877512 0.002512 P\n0.122488 0.125000 0.497488 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"P"
],
"chemical_system": "Mg-P-Sn",
"density": 3.331935987196626,
"density_atomic": 0.03915913433060926,
"volume": 204.29460805896042,
"volume_molar": 15.378636078001126,
"formula_full": "Mg2 Sn2 P4",
"formula_reduced": "MgSnP2",
"formula_anonymous": "ABC2",
"energy": -35.35035735,
"energy_per_atom": -4.41879466875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.35035735,
"band_gap": 1.2147000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.962000Z",
"spacegroup": 122
},
{
"id": "mp-1009084",
"created_at": "2022-09-04T14:39:49.220477Z",
"structure_string": "Be2 Sn2 As4\n1.0\n-2.827892 2.827892 5.679598\n2.827892 -2.827892 5.679598\n2.827892 2.827892 -5.679598\nBe Sn As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Sn\n0.750000 0.250000 0.500000 Sn\n0.180405 0.125000 0.555405 As\n0.375000 0.819595 0.944595 As\n0.569595 0.625000 0.444595 As\n0.875000 0.430405 0.055405 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Sn",
"As"
],
"chemical_system": "As-Be-Sn",
"density": 5.073891376727238,
"density_atomic": 0.044033860219875695,
"volume": 181.6783711455989,
"volume_molar": 13.676159051078988,
"formula_full": "Be2 Sn2 As4",
"formula_reduced": "BeSnAs2",
"formula_anonymous": "ABC2",
"energy": -35.53628484,
"energy_per_atom": -4.442035605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.53628484,
"band_gap": 0.6936999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002288,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.497000Z",
"spacegroup": 122
},
{
"id": "mp-1009085",
"created_at": "2022-09-04T14:41:58.479809Z",
"structure_string": "Be2 Si2 P4\n1.0\n-2.569560 2.569560 5.096813\n2.569560 -2.569560 5.096813\n2.569560 2.569560 -5.096813\nBe Si P\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.640025 0.125000 0.015025 P\n0.875000 0.890025 0.515025 P\n0.375000 0.359975 0.484975 P\n0.109975 0.625000 0.984975 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 2.443634992369747,
"density_atomic": 0.059431100159245055,
"volume": 134.6096568726488,
"volume_molar": 10.132978766779907,
"formula_full": "Be2 Si2 P4",
"formula_reduced": "BeSiP2",
"formula_anonymous": "ABC2",
"energy": -42.97211944,
"energy_per_atom": -5.37151493,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.97211944,
"band_gap": 0.8007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.233000Z",
"spacegroup": 122
},
{
"id": "mp-1009086",
"created_at": "2022-09-04T14:42:21.752394Z",
"structure_string": "Be2 Sn2 P4\n1.0\n-2.721167 2.721167 5.438788\n2.721167 -2.721167 5.438788\n2.721167 2.721167 -5.438788\nBe Sn P\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.570757 0.625000 0.445757 P\n0.875000 0.429243 0.054243 P\n0.375000 0.820757 0.945757 P\n0.179243 0.125000 0.554243 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Sn",
"P"
],
"chemical_system": "Be-P-Sn",
"density": 3.910250237028765,
"density_atomic": 0.04966123022798022,
"volume": 161.09145833227115,
"volume_molar": 12.126442966382646,
"formula_full": "Be2 Sn2 P4",
"formula_reduced": "BeSnP2",
"formula_anonymous": "ABC2",
"energy": -38.90087157,
"energy_per_atom": -4.86260894625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.90087157,
"band_gap": 0.9223000000000008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003396,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.577000Z",
"spacegroup": 122
},
{
"id": "mp-1009087",
"created_at": "2022-09-04T14:46:26.073115Z",
"structure_string": "Be2 Si2 As4\n1.0\n-2.692154 2.692154 5.348304\n2.692154 -2.692154 5.348304\n2.692154 2.692154 -5.348304\nBe Si As\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.375000 0.855981 0.980981 As\n0.605981 0.625000 0.480981 As\n0.144019 0.125000 0.519019 As\n0.875000 0.394019 0.019019 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Si",
"As"
],
"chemical_system": "As-Be-Si",
"density": 4.004123884544469,
"density_atomic": 0.051595771676176974,
"volume": 155.05146526752685,
"volume_molar": 11.67177186106622,
"formula_full": "Be2 Si2 As4",
"formula_reduced": "BeSiAs2",
"formula_anonymous": "ABC2",
"energy": -38.65259517,
"energy_per_atom": -4.83157439625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.65259517,
"band_gap": 0.4005999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001779,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.683000Z",
"spacegroup": 122
},
{
"id": "mp-1009088",
"created_at": "2022-09-04T14:46:13.316549Z",
"structure_string": "Be2 Ge2 As4\n1.0\n-2.726610 2.726610 5.465808\n2.726610 -2.726610 5.465808\n2.726610 2.726610 -5.465808\nBe Ge As\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.875000 0.343279 0.968278 As\n0.656721 0.625000 0.531721 As\n0.375000 0.906721 0.031721 As\n0.093279 0.125000 0.468278 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"Ge",
"As"
],
"chemical_system": "As-Be-Ge",
"density": 4.729998634658272,
"density_atomic": 0.04921863639139659,
"volume": 162.54005772086768,
"volume_molar": 12.235488834169873,
"formula_full": "Be2 Ge2 As4",
"formula_reduced": "BeGeAs2",
"formula_anonymous": "ABC2",
"energy": -36.75634731,
"energy_per_atom": -4.59454341375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.75634731,
"band_gap": 0.4035999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.362000Z",
"spacegroup": 122
},
{
"id": "mp-10091",
"created_at": "2022-09-04T14:47:46.444507Z",
"structure_string": "K2 V2 Cu4 Se8\n1.0\n2.805163 -9.392843 0.000000\n2.805163 9.392843 0.000000\n0.000000 0.000000 7.708865\nK V Cu Se\n2 2 4 8\ndirect\n0.170044 0.799975 0.750000 K\n0.799975 0.170044 0.250000 K\n0.642006 0.857782 0.750000 V\n0.857782 0.642006 0.250000 V\n0.734261 0.734261 0.500000 Cu\n0.734261 0.734261 0.000000 Cu\n0.359109 0.142049 0.250000 Cu\n0.142049 0.359109 0.750000 Cu\n0.622166 0.402203 0.001030 Se\n0.402203 0.622167 0.501030 Se\n0.989928 0.999168 0.750000 Se\n0.402203 0.622167 0.998970 Se\n0.191988 0.774049 0.250000 Se\n0.774049 0.191988 0.750000 Se\n0.999168 0.989928 0.250000 Se\n0.622166 0.402203 0.498970 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se-V",
"density": 4.3572022858497625,
"density_atomic": 0.03938622718012307,
"volume": 406.23337510414484,
"volume_molar": 15.289966039293999,
"formula_full": "K2 V2 Cu4 Se8",
"formula_reduced": "KV(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -79.66150463,
"energy_per_atom": -4.978844039375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.88550463,
"band_gap": 0.5844999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002934,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.795000Z",
"spacegroup": 40
},
{
"id": "mp-1009113",
"created_at": "2022-09-04T14:40:14.063839Z",
"structure_string": "Ho1 Hg2\n1.0\n2.665864 -4.617412 0.000000\n2.665864 4.617412 0.000000\n0.000000 0.000000 3.384258\nHo Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.917383 Hg\n0.333333 0.666667 0.082617 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"Hg"
],
"chemical_system": "Hg-Ho",
"density": 11.282883199780782,
"density_atomic": 0.03600735144584547,
"volume": 83.31631957190619,
"volume_molar": 16.7247534689054,
"formula_full": "Ho1 Hg2",
"formula_reduced": "HoHg2",
"formula_anonymous": "AB2",
"energy": -5.36596057,
"energy_per_atom": -1.7886535233333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.36596057,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.026876,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.732000Z",
"spacegroup": 164
}
]
}