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=11512",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11510",
"results": [
{
"id": "mp-1097655",
"created_at": "2022-09-04T14:40:54.610960Z",
"structure_string": "Sc2 Cd1 Os1\n1.0\n-5.403097 5.999952 8.303886\n5.403097 -5.999952 8.303886\n5.403097 5.999952 -8.303886\nSc Cd Os\n2 1 1\ndirect\n0.000000 0.292677 0.292677 Sc\n0.000000 0.707323 0.707323 Sc\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Os"
],
"chemical_system": "Cd-Os-Sc",
"density": 0.6053621918664731,
"density_atomic": 0.0037147370836001035,
"volume": 1076.7922224319134,
"volume_molar": 162.11485831895527,
"formula_full": "Sc2 Cd1 Os1",
"formula_reduced": "Sc2CdOs",
"formula_anonymous": "ABC2",
"energy": -15.73779547,
"energy_per_atom": -3.9344488675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.73779547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.230995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.558000Z",
"spacegroup": 71
},
{
"id": "mp-676113",
"created_at": "2022-09-04T14:45:08.486419Z",
"structure_string": "In1 Ag1 S2\n1.0\n2.280616 -3.950142 0.000000\n2.280616 3.950142 0.000000\n0.000000 0.000000 5.393810\nIn Ag S\n1 1 2\ndirect\n0.333333 0.666667 0.431368 In\n0.666667 0.333333 0.938685 Ag\n0.333333 0.666667 0.938003 S\n0.666667 0.333333 0.441944 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 4.9007467485664575,
"density_atomic": 0.04115944184349224,
"volume": 97.1830477004499,
"volume_molar": 14.63124981844759,
"formula_full": "In1 Ag1 S2",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy": -15.73639326,
"energy_per_atom": -3.934098315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.73039326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.727000Z",
"spacegroup": 156
},
{
"id": "mp-1096119",
"created_at": "2022-09-04T14:41:34.031101Z",
"structure_string": "Al2 Cr1 Fe1\n1.0\n-5.017187 5.022267 7.203889\n5.017187 -5.022267 7.203889\n5.017187 5.022267 -7.203889\nAl Cr Fe\n2 1 1\ndirect\n0.261479 0.000000 0.261479 Al\n0.738521 0.000000 0.738521 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Fe"
],
"chemical_system": "Al-Cr-Fe",
"density": 0.37004261149917667,
"density_atomic": 0.005509001641315205,
"volume": 726.084372529802,
"volume_molar": 109.31455737526862,
"formula_full": "Al2 Cr1 Fe1",
"formula_reduced": "Al2CrFe",
"formula_anonymous": "ABC2",
"energy": -15.7297727,
"energy_per_atom": -3.932443175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.7297727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1283167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.272000Z",
"spacegroup": 71
},
{
"id": "mp-861993",
"created_at": "2022-09-04T14:41:24.960674Z",
"structure_string": "Ho2 Tl1 Ag1\n1.0\n0.000000 3.711060 3.711060\n3.711060 0.000000 3.711060\n3.711060 3.711060 0.000000\nHo Tl Ag\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Tl",
"Ag"
],
"chemical_system": "Ag-Ho-Tl",
"density": 10.431242808949095,
"density_atomic": 0.03913236246798757,
"volume": 102.21718668971802,
"volume_molar": 15.389157158417008,
"formula_full": "Ho2 Tl1 Ag1",
"formula_reduced": "Ho2TlAg",
"formula_anonymous": "ABC2",
"energy": -15.72932086,
"energy_per_atom": -3.932330215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72932086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.995000Z",
"spacegroup": 225
},
{
"id": "mp-1186736",
"created_at": "2022-09-04T14:40:34.775831Z",
"structure_string": "Pr3 Zn1\n1.0\n-2.432313 2.432313 5.069576\n2.432313 -2.432313 5.069576\n2.432313 2.432313 -5.069576\nPr Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Zn"
],
"chemical_system": "Pr-Zn",
"density": 6.756406650982174,
"density_atomic": 0.033341830542398025,
"volume": 119.9694178432565,
"volume_molar": 18.061818028683657,
"formula_full": "Pr3 Zn1",
"formula_reduced": "Pr3Zn",
"formula_anonymous": "AB3",
"energy": -15.72852695,
"energy_per_atom": -3.9321317375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72852695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.019301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.069000Z",
"spacegroup": 139
},
{
"id": "mp-1067817",
"created_at": "2022-09-04T14:43:53.391932Z",
"structure_string": "Sr2 U1 Co1\n1.0\n0.000000 4.008522 4.008522\n4.008522 0.000000 4.008522\n4.008522 4.008522 0.000000\nSr U Co\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"U",
"Co"
],
"chemical_system": "Co-Sr-U",
"density": 6.0868725184035695,
"density_atomic": 0.03105111368079947,
"volume": 128.81985622542774,
"volume_molar": 19.394282671812206,
"formula_full": "Sr2 U1 Co1",
"formula_reduced": "Sr2UCo",
"formula_anonymous": "ABC2",
"energy": -15.72816381,
"energy_per_atom": -3.9320409525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72816381,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1218663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.943000Z",
"spacegroup": 225
},
{
"id": "mp-30593",
"created_at": "2022-09-04T14:42:58.149377Z",
"structure_string": "Zn1 Cu2 Ni1\n1.0\n3.595075 0.000000 0.000000\n0.000000 3.595075 0.000000\n0.000000 0.000000 3.690629\nZn Cu Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Zn",
"density": 8.744656421738975,
"density_atomic": 0.08385784378592634,
"volume": 47.69977165417304,
"volume_molar": 7.181368478032203,
"formula_full": "Zn1 Cu2 Ni1",
"formula_reduced": "ZnCu2Ni",
"formula_anonymous": "ABC2",
"energy": -15.72799494,
"energy_per_atom": -3.931998735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72799494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.017000Z",
"spacegroup": 123
},
{
"id": "mp-1019104",
"created_at": "2022-09-04T14:46:18.063961Z",
"structure_string": "Ca2 Sn2 Hg2\n1.0\n2.452109 -4.247177 0.000000\n2.452109 4.247177 0.000000\n0.000000 0.000000 7.821551\nCa Sn Hg\n2 2 2\ndirect\n0.000000 0.000000 0.750885 Ca\n0.000000 0.000000 0.250885 Ca\n0.666667 0.333333 0.962434 Sn\n0.333333 0.666667 0.462434 Sn\n0.666667 0.333333 0.561681 Hg\n0.333333 0.666667 0.061681 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Hg"
],
"chemical_system": "Ca-Hg-Sn",
"density": 7.3260110881567835,
"density_atomic": 0.036828857078714264,
"volume": 162.91572630603793,
"volume_molar": 16.35169059720992,
"formula_full": "Ca2 Sn2 Hg2",
"formula_reduced": "CaSnHg",
"formula_anonymous": "ABC",
"energy": -15.72697483,
"energy_per_atom": -2.6211624716666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72697483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.227000Z",
"spacegroup": 186
},
{
"id": "mp-866185",
"created_at": "2022-09-04T14:42:15.644997Z",
"structure_string": "Ce1 Cd1 Au2\n1.0\n0.000000 3.557867 3.557867\n3.557867 0.000000 3.557867\n3.557867 3.557867 0.000000\nCe Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Ce",
"density": 11.917680123414375,
"density_atomic": 0.0444079645700646,
"volume": 90.07393242914806,
"volume_molar": 13.56094749737646,
"formula_full": "Ce1 Cd1 Au2",
"formula_reduced": "CeCdAu2",
"formula_anonymous": "ABC2",
"energy": -15.72486236,
"energy_per_atom": -3.93121559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72486236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0761404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.691000Z",
"spacegroup": 225
},
{
"id": "mp-1219916",
"created_at": "2022-09-04T14:40:42.161132Z",
"structure_string": "Pr1 Zn2 Ga2\n1.0\n4.293572 0.000000 0.000000\n0.000000 4.293572 0.000000\n2.146786 2.146786 5.347596\nPr Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.385730 0.385730 0.228539 Zn\n0.614270 0.614270 0.771461 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Ga"
],
"chemical_system": "Ga-Pr-Zn",
"density": 6.925899259441365,
"density_atomic": 0.050719377472096275,
"volume": 98.58165161334631,
"volume_molar": 11.87345164737705,
"formula_full": "Pr1 Zn2 Ga2",
"formula_reduced": "Pr(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -15.72485323,
"energy_per_atom": -3.144970646,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72485323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.435000Z",
"spacegroup": 139
},
{
"id": "mp-1411545",
"created_at": "2022-09-04T14:45:53.051491Z",
"structure_string": "Ni1 S2\n1.0\n7.157173 -1.671522 0.000000\n7.157173 1.671522 0.000000\n6.766798 0.000000 2.868722\nNi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ni\n0.388852 0.388852 0.388852 S\n0.611148 0.611148 0.611148 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 2.9713796264774164,
"density_atomic": 0.043706817352948305,
"volume": 68.63917763157905,
"volume_molar": 13.778492978267082,
"formula_full": "Ni1 S2",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy": -15.724573889999998,
"energy_per_atom": -5.24152463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.718573890000002,
"band_gap": 0.5278999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.235000Z",
"spacegroup": 166
},
{
"id": "mp-1219174",
"created_at": "2022-09-04T14:41:07.125052Z",
"structure_string": "Sm1 Zn2 Ga2\n1.0\n-2.091593 2.091593 5.399298\n2.091593 -2.091593 5.399298\n2.091593 2.091593 -5.399298\nSm Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.613859 0.613859 0.000000 Ga\n0.386141 0.386141 0.000000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Zn",
"Ga"
],
"chemical_system": "Ga-Sm-Zn",
"density": 7.392502804371425,
"density_atomic": 0.05291981968694626,
"volume": 94.48255926755077,
"volume_molar": 11.379745425484664,
"formula_full": "Sm1 Zn2 Ga2",
"formula_reduced": "Sm(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -15.72306035,
"energy_per_atom": -3.14461207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72306035,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.517000Z",
"spacegroup": 139
}
]
}