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=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12148",
"results": [
{
"id": "mp-1009133",
"created_at": "2022-09-04T14:43:18.399457Z",
"structure_string": "Mn1 Co1\n1.0\n2.853600 0.000000 0.000000\n0.000000 2.853600 0.000000\n0.000000 0.000000 2.853600\nMn Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 8.137366157288561,
"density_atomic": 0.08606978273317631,
"volume": 23.236958854656006,
"volume_molar": 6.996811852853342,
"formula_full": "Mn1 Co1",
"formula_reduced": "MnCo",
"formula_anonymous": "AB",
"energy": -16.32204805,
"energy_per_atom": -8.161024025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.32204805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0277908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.992000Z",
"spacegroup": 221
},
{
"id": "mp-1009132",
"created_at": "2022-09-04T14:44:13.100287Z",
"structure_string": "Ho1 Bi1 Pd1\n1.0\n0.000000 3.356096 3.356096\n3.356096 0.000000 3.356096\n3.356096 3.356096 0.000000\nHo Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ho",
"Bi",
"Pd"
],
"chemical_system": "Bi-Ho-Pd",
"density": 10.550094250962204,
"density_atomic": 0.039681504838489534,
"volume": 75.60197155351113,
"volume_molar": 15.176190480958665,
"formula_full": "Ho1 Bi1 Pd1",
"formula_reduced": "HoBiPd",
"formula_anonymous": "ABC",
"energy": -16.44904695,
"energy_per_atom": -5.48301565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.44904695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008909,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.117000Z",
"spacegroup": 216
},
{
"id": "mp-1009131",
"created_at": "2022-09-04T14:47:56.902049Z",
"structure_string": "Mn1 As1\n1.0\n0.000000 2.844045 2.844045\n2.844045 0.000000 2.844045\n2.844045 2.844045 0.000000\nMn As\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 4.6868809452854014,
"density_atomic": 0.04347009694601356,
"volume": 46.00863905327478,
"volume_molar": 13.853525027742693,
"formula_full": "Mn1 As1",
"formula_reduced": "MnAs",
"formula_anonymous": "AB",
"energy": -13.47209557,
"energy_per_atom": -6.736047785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.47209557,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8505385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.175000Z",
"spacegroup": 216
},
{
"id": "mp-1009130",
"created_at": "2022-09-04T14:44:24.254354Z",
"structure_string": "Mn1 N1\n1.0\n0.000000 2.130127 2.130127\n2.130127 0.000000 2.130127\n2.130127 2.130127 0.000000\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 5.922482413592238,
"density_atomic": 0.10346262867634773,
"volume": 19.330651323932713,
"volume_molar": 5.820595162760157,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -18.45486119,
"energy_per_atom": -9.227430595,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.09386119,
"band_gap": 0.0838999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.785000Z",
"spacegroup": 216
},
{
"id": "mp-1009129",
"created_at": "2022-09-04T14:43:05.535841Z",
"structure_string": "Mg1 O1\n1.0\n1.469010 -2.544401 0.000000\n1.469010 2.544401 0.000000\n0.000000 0.000000 2.679680\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.34101416919779,
"density_atomic": 0.09984050185595919,
"volume": 20.031950589405273,
"volume_molar": 6.031761307338177,
"formula_full": "Mg1 O1",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy": -11.98005565,
"energy_per_atom": -5.990027825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.29305565,
"band_gap": 3.0483,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.328000Z",
"spacegroup": 187
},
{
"id": "mp-1009128",
"created_at": "2022-09-04T14:48:00.417015Z",
"structure_string": "Mn1 N1\n1.0\n2.530699 0.000000 0.000000\n0.000000 2.530699 0.000000\n0.000000 0.000000 2.530699\nMn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 7.063643732316814,
"density_atomic": 0.12339811206555025,
"volume": 16.20770339612312,
"volume_molar": 4.880253562389173,
"formula_full": "Mn1 N1",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -17.00893264,
"energy_per_atom": -8.50446632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.64793264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8231097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.153000Z",
"spacegroup": 221
},
{
"id": "mp-1009127",
"created_at": "2022-09-04T14:41:22.247816Z",
"structure_string": "Mg1 O1\n1.0\n2.661370 0.000000 0.000000\n0.000000 2.661370 0.000000\n0.000000 0.000000 2.661370\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"O"
],
"chemical_system": "Mg-O",
"density": 3.550469503673345,
"density_atomic": 0.10609971676837858,
"volume": 18.85019169623335,
"volume_molar": 5.6759253873850195,
"formula_full": "Mg1 O1",
"formula_reduced": "MgO",
"formula_anonymous": "AB",
"energy": -11.15817355,
"energy_per_atom": -5.579086775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.47117355,
"band_gap": 2.2579,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.700000Z",
"spacegroup": 221
},
{
"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
},
{
"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-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-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-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
}
]
}