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=energy&page=12111",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12109",
"results": [
{
"id": "mp-973334",
"created_at": "2022-09-04T14:48:12.373812Z",
"structure_string": "Na2 Mg2\n1.0\n3.290952 0.000000 0.000000\n0.000000 5.530791 0.000000\n0.000000 0.000000 6.202480\nNa Mg\n2 2\ndirect\n0.500000 0.750000 0.349190 Na\n0.500000 0.250000 0.650810 Na\n0.000000 0.250000 0.134950 Mg\n0.000000 0.750000 0.865050 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.3912911939665598,
"density_atomic": 0.03543119688990069,
"volume": 112.89485964670192,
"volume_molar": 16.996718396822068,
"formula_full": "Na2 Mg2",
"formula_reduced": "NaMg",
"formula_anonymous": "AB",
"energy": -5.40005619,
"energy_per_atom": -1.3500140475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.40005619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044096,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.792000Z",
"spacegroup": 51
},
{
"id": "mp-865100",
"created_at": "2022-09-04T14:43:58.445381Z",
"structure_string": "Na1 In1 Hg2\n1.0\n0.000000 3.711129 3.711129\n3.711129 0.000000 3.711129\n3.711129 3.711129 0.000000\nNa In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"In",
"Hg"
],
"chemical_system": "Hg-In-Na",
"density": 8.755477969828611,
"density_atomic": 0.03913017977683796,
"volume": 102.22288838978682,
"volume_molar": 15.39001556942665,
"formula_full": "Na1 In1 Hg2",
"formula_reduced": "NaInHg2",
"formula_anonymous": "ABC2",
"energy": -5.39793804,
"energy_per_atom": -1.34948451,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.39793804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.005000Z",
"spacegroup": 225
},
{
"id": "mp-1093578",
"created_at": "2022-09-04T14:46:12.865612Z",
"structure_string": "Ca2 Hg1 Bi1\n1.0\n-6.110811 6.598313 9.302533\n6.110811 -6.598313 9.302533\n6.110811 6.598313 -9.302533\nCa Hg Bi\n2 1 1\ndirect\n0.000000 0.267416 0.267416 Ca\n0.000000 0.732584 0.732584 Ca\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Bi"
],
"chemical_system": "Bi-Ca-Hg",
"density": 0.542012919395413,
"density_atomic": 0.002666042178216822,
"volume": 1500.3513570349414,
"volume_molar": 225.88317653803583,
"formula_full": "Ca2 Hg1 Bi1",
"formula_reduced": "Ca2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.39313568,
"energy_per_atom": -1.34828392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.39313568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.958000Z",
"spacegroup": 71
},
{
"id": "mp-1096762",
"created_at": "2022-09-04T14:46:54.153108Z",
"structure_string": "Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Si"
],
"chemical_system": "Li-Si-Sr",
"density": 0.15677753805597824,
"density_atomic": 0.0029142823266306737,
"volume": 1372.5506151027485,
"volume_molar": 206.64232510933334,
"formula_full": "Sr1 Li2 Si1",
"formula_reduced": "SrLi2Si",
"formula_anonymous": "ABC2",
"energy": -5.389250580000001,
"energy_per_atom": -1.3473126450000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.46025058,
"band_gap": 0.1927000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9958472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.383000Z",
"spacegroup": 71
},
{
"id": "mp-1093670",
"created_at": "2022-09-04T14:46:16.121800Z",
"structure_string": "Li1 Hg2 Rh1\n1.0\n-5.340191 5.688039 7.784648\n5.340191 -5.688039 7.784648\n5.340191 5.688039 -7.784648\nLi Hg Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251017 0.251017 Hg\n0.000000 0.748983 0.748983 Hg\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Rh"
],
"chemical_system": "Hg-Li-Rh",
"density": 0.8971688618652377,
"density_atomic": 0.004229038747312381,
"volume": 945.8414166912188,
"volume_molar": 142.39975369880833,
"formula_full": "Li1 Hg2 Rh1",
"formula_reduced": "LiHg2Rh",
"formula_anonymous": "ABC2",
"energy": -5.38885191,
"energy_per_atom": -1.3472129775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38885191,
"band_gap": 0.2458,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.656000Z",
"spacegroup": 71
},
{
"id": "mp-567903",
"created_at": "2022-09-04T14:40:59.019161Z",
"structure_string": "Zn1 Ni1\n1.0\n0.000000 2.673065 2.673065\n2.673065 0.000000 2.673065\n2.673065 2.673065 0.000000\nZn Ni\n1 1\ndirect\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn",
"density": 5.394742547252879,
"density_atomic": 0.0523566006696807,
"volume": 38.19957702407109,
"volume_molar": 11.5021614905709,
"formula_full": "Zn1 Ni1",
"formula_reduced": "ZnNi",
"formula_anonymous": "AB",
"energy": -5.38428647,
"energy_per_atom": -2.692143235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38428647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.263000Z",
"spacegroup": 216
},
{
"id": "mp-1097151",
"created_at": "2022-09-04T14:43:18.120841Z",
"structure_string": "Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Bi"
],
"chemical_system": "Bi-Hg-Li",
"density": 0.6761878913004904,
"density_atomic": 0.003846570394241585,
"volume": 1039.887377594364,
"volume_molar": 156.55870406051326,
"formula_full": "Li2 Hg1 Bi1",
"formula_reduced": "Li2HgBi",
"formula_anonymous": "ABC2",
"energy": -5.38115097,
"energy_per_atom": -1.3452877425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38115097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.4351344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.045000Z",
"spacegroup": 71
},
{
"id": "mp-1211065",
"created_at": "2022-09-04T14:42:47.191795Z",
"structure_string": "Mg2 Cu1 As2\n1.0\n9.960882 0.000000 0.000000\n0.000000 9.960882 0.000000\n0.000000 0.000000 31.266334\nMg Cu As\n2 1 2\ndirect\n0.500000 0.500000 0.250085 Mg\n0.500000 0.500000 0.749915 Mg\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.665107 As\n0.500000 0.500000 0.334893 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"As"
],
"chemical_system": "As-Cu-Mg",
"density": 0.14024148737149794,
"density_atomic": 0.0016117491534989095,
"volume": 3102.2197152364647,
"volume_molar": 373.6400758720221,
"formula_full": "Mg2 Cu1 As2",
"formula_reduced": "Mg2CuAs2",
"formula_anonymous": "AB2C2",
"energy": -5.3804974,
"energy_per_atom": -1.07609948,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.3804974,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7948773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.165000Z",
"spacegroup": 123
},
{
"id": "mp-1187152",
"created_at": "2022-09-04T14:40:20.332686Z",
"structure_string": "Sr1 Cd3\n1.0\n0.000000 3.762230 3.762230\n3.762230 0.000000 3.762230\n3.762230 3.762230 0.000000\nSr Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 6.624021975535018,
"density_atomic": 0.03755726592283973,
"volume": 106.50402529880316,
"volume_molar": 16.03455579639984,
"formula_full": "Sr1 Cd3",
"formula_reduced": "SrCd3",
"formula_anonymous": "AB3",
"energy": -5.37606295,
"energy_per_atom": -1.3440157375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37606295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.235000Z",
"spacegroup": 225
},
{
"id": "mp-1095016",
"created_at": "2022-09-04T14:47:14.132986Z",
"structure_string": "Ca1 Mg2\n1.0\n-1.945551 1.945551 5.627645\n1.945551 -1.945551 5.627645\n1.945551 1.945551 -5.627645\nCa Mg\n1 2\ndirect\n0.500000 0.500000 0.000000 Ca\n0.816972 0.816972 0.000000 Mg\n0.183028 0.183028 0.000000 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7283911512672003,
"density_atomic": 0.035208646507531555,
"volume": 85.2063426908008,
"volume_molar": 17.10415297762665,
"formula_full": "Ca1 Mg2",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -5.37266544,
"energy_per_atom": -1.7908884799999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37266544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.958000Z",
"spacegroup": 139
},
{
"id": "mp-1246134",
"created_at": "2022-09-04T14:47:14.470580Z",
"structure_string": "Ni1\n1.0\n0.000000 0.000000 -2.338222\n-1.199048 -2.076812 0.000000\n-1.199048 2.076812 0.000000\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.369294959089133,
"density_atomic": 0.0858717885196815,
"volume": 11.645268105377864,
"volume_molar": 7.012944371852401,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.37022588,
"energy_per_atom": -5.37022588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.37022588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4577781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.220000Z",
"spacegroup": 191
},
{
"id": "mp-1096094",
"created_at": "2022-09-04T14:39:23.278107Z",
"structure_string": "Li1 Mg1 Ag2\n1.0\n-5.276264 5.764068 8.154382\n5.276264 -5.764068 8.154382\n5.276264 5.764068 -8.154382\nLi Mg Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.250976 0.250976 Ag\n0.000000 0.749024 0.749024 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Ag"
],
"chemical_system": "Ag-Li-Mg",
"density": 0.41343614919256366,
"density_atomic": 0.004032304628298033,
"volume": 991.9885446969149,
"volume_molar": 149.34736621180932,
"formula_full": "Li1 Mg1 Ag2",
"formula_reduced": "LiMgAg2",
"formula_anonymous": "ABC2",
"energy": -5.36997387,
"energy_per_atom": -1.3424934675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.36997387,
"band_gap": 0.7697999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
}
]
}