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=11503",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=11501",
"results": [
{
"id": "mp-866077",
"created_at": "2022-09-04T14:43:52.053896Z",
"structure_string": "Mg1 Sc2 Cd1\n1.0\n0.000000 3.561246 3.561246\n3.561246 0.000000 3.561246\n3.561246 3.561246 0.000000\nMg Sc Cd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Cd"
],
"chemical_system": "Cd-Mg-Sc",
"density": 4.166068507916979,
"density_atomic": 0.04428167827997911,
"volume": 90.33081299921064,
"volume_molar": 13.599621771162106,
"formula_full": "Mg1 Sc2 Cd1",
"formula_reduced": "MgSc2Cd",
"formula_anonymous": "ABC2",
"energy": -15.86369318,
"energy_per_atom": -3.965923295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.86369318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011368,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.598000Z",
"spacegroup": 225
},
{
"id": "mp-754545",
"created_at": "2022-09-04T14:43:09.833565Z",
"structure_string": "Nd1 O1\n1.0\n0.000000 2.525817 2.525817\n2.525817 0.000000 2.525817\n2.525817 2.525817 0.000000\nNd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 8.25635173982916,
"density_atomic": 0.06205751117814071,
"volume": 32.22816967729903,
"volume_molar": 9.704128711692926,
"formula_full": "Nd1 O1",
"formula_reduced": "NdO",
"formula_anonymous": "AB",
"energy": -15.86277422,
"energy_per_atom": -7.93138711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.17577422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.135000Z",
"spacegroup": 225
},
{
"id": "mp-1018089",
"created_at": "2022-09-04T14:41:15.263485Z",
"structure_string": "Ca1 Zn1 Se2\n1.0\n4.286203 0.000000 0.000000\n0.000000 4.286203 0.000000\n0.000000 0.000000 6.383764\nCa Zn Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.711034 Se\n0.500000 0.000000 0.288966 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Se"
],
"chemical_system": "Ca-Se-Zn",
"density": 3.7295300812909122,
"density_atomic": 0.03410654253827685,
"volume": 117.27955114508919,
"volume_molar": 17.656849131633656,
"formula_full": "Ca1 Zn1 Se2",
"formula_reduced": "CaZnSe2",
"formula_anonymous": "ABC2",
"energy": -15.86274694,
"energy_per_atom": -3.965686735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.91874694,
"band_gap": 2.0547,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.959000Z",
"spacegroup": 115
},
{
"id": "mp-1013716",
"created_at": "2022-09-04T14:40:17.941997Z",
"structure_string": "Ba3 Bi1 As1\n1.0\n6.577443 0.000000 0.000000\n0.000000 6.577443 0.000000\n0.000000 0.000000 6.577443\nBa Bi As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"As"
],
"chemical_system": "As-Ba-Bi",
"density": 4.060822857577817,
"density_atomic": 0.01757109087174864,
"volume": 284.5583143639169,
"volume_molar": 34.27300447055675,
"formula_full": "Ba3 Bi1 As1",
"formula_reduced": "Ba3BiAs",
"formula_anonymous": "ABC3",
"energy": -15.862041950000002,
"energy_per_atom": -3.17240839,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.862041950000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.189000Z",
"spacegroup": 221
},
{
"id": "mp-1226027",
"created_at": "2022-09-04T14:44:06.419566Z",
"structure_string": "Co1 Ir1\n1.0\n4.234367 -1.324212 0.000000\n4.234367 1.324212 0.000000\n3.820247 0.000000 2.255907\nCo Ir\n1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Co",
"Ir"
],
"chemical_system": "Co-Ir",
"density": 16.48486572963533,
"density_atomic": 0.07905562794237217,
"volume": 25.2986416281192,
"volume_molar": 7.617599046066469,
"formula_full": "Co1 Ir1",
"formula_reduced": "CoIr",
"formula_anonymous": "AB",
"energy": -15.86163785,
"energy_per_atom": -7.930818925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.86163785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5020714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.312000Z",
"spacegroup": 166
},
{
"id": "mp-1183985",
"created_at": "2022-09-04T14:41:54.419976Z",
"structure_string": "Ga1 Ge3\n1.0\n0.000000 3.387167 3.387167\n3.387167 0.000000 3.387167\n3.387167 3.387167 0.000000\nGa Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Ge\n0.750000 0.750000 0.750000 Ge\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge",
"density": 6.145582920846778,
"density_atomic": 0.051465970545962796,
"volume": 77.72125848530756,
"volume_molar": 11.701208966071663,
"formula_full": "Ga1 Ge3",
"formula_reduced": "GaGe3",
"formula_anonymous": "AB3",
"energy": -15.85942321,
"energy_per_atom": -3.9648558025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85942321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.644000Z",
"spacegroup": 225
},
{
"id": "mp-1077925",
"created_at": "2022-09-04T14:43:04.235122Z",
"structure_string": "Na5 Sn2\n1.0\n7.745495 -2.737538 0.000000\n7.745495 2.737538 0.000000\n6.777950 0.000000 4.641789\nNa Sn\n5 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.647392 0.647392 0.647392 Na\n0.352608 0.352608 0.352608 Na\n0.787265 0.787265 0.787265 Na\n0.212735 0.212735 0.212735 Na\n0.933794 0.933794 0.933794 Sn\n0.066206 0.066206 0.066206 Sn\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Na",
"Sn"
],
"chemical_system": "Na-Sn",
"density": 2.9725000947232236,
"density_atomic": 0.035560946769345014,
"volume": 196.8451527852539,
"volume_molar": 16.934703114235788,
"formula_full": "Na5 Sn2",
"formula_reduced": "Na5Sn2",
"formula_anonymous": "A2B5",
"energy": -15.857092949999998,
"energy_per_atom": -2.2652989928571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.857092949999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.441000Z",
"spacegroup": 166
},
{
"id": "mp-1185066",
"created_at": "2022-09-04T14:46:03.361553Z",
"structure_string": "La3 Hg1\n1.0\n-2.459129 2.459129 5.315329\n2.459129 -2.459129 5.315329\n2.459129 2.459129 -5.315329\nLa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 7.972547566036982,
"density_atomic": 0.031110516850172968,
"volume": 128.5738844926249,
"volume_molar": 19.35725076186421,
"formula_full": "La3 Hg1",
"formula_reduced": "La3Hg",
"formula_anonymous": "AB3",
"energy": -15.85578083,
"energy_per_atom": -3.9639452075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85578083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.140000Z",
"spacegroup": 139
},
{
"id": "mp-1096322",
"created_at": "2022-09-04T14:46:37.245813Z",
"structure_string": "Sc2 Ag1 Rh1\n1.0\n-5.079058 5.781341 8.300991\n5.079058 -5.781341 8.300991\n5.079058 5.781341 -8.300991\nSc Ag Rh\n2 1 1\ndirect\n0.000000 0.220703 0.220703 Sc\n0.000000 0.779297 0.779297 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh-Sc",
"density": 0.5121060717534336,
"density_atomic": 0.004102591715343893,
"volume": 974.9934376944714,
"volume_molar": 146.78869304680993,
"formula_full": "Sc2 Ag1 Rh1",
"formula_reduced": "Sc2AgRh",
"formula_anonymous": "ABC2",
"energy": -15.85535923,
"energy_per_atom": -3.9638398075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85535923,
"band_gap": 0.3464,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5943369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.957000Z",
"spacegroup": 71
},
{
"id": "mp-975896",
"created_at": "2022-09-04T14:47:57.524876Z",
"structure_string": "Pr1 Nd1 Tl2\n1.0\n0.000000 3.928276 3.928276\n3.928276 0.000000 3.928276\n3.928276 3.928276 0.000000\nPr Nd Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Nd",
"Tl"
],
"chemical_system": "Nd-Pr-Tl",
"density": 9.504300930013576,
"density_atomic": 0.032993167717700965,
"volume": 121.237222028062,
"volume_molar": 18.252690410109054,
"formula_full": "Pr1 Nd1 Tl2",
"formula_reduced": "PrNdTl2",
"formula_anonymous": "ABC2",
"energy": -15.85428866,
"energy_per_atom": -3.963572165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85428866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.796000Z",
"spacegroup": 225
},
{
"id": "mp-861664",
"created_at": "2022-09-04T14:45:00.784653Z",
"structure_string": "Li1 Tm1 Au2\n1.0\n0.000000 3.405163 3.405163\n3.405163 0.000000 3.405163\n3.405163 3.405163 0.000000\nLi Tm Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tm",
"Au"
],
"chemical_system": "Au-Li-Tm",
"density": 11.982134550891654,
"density_atomic": 0.05065429536014114,
"volume": 78.96664974926333,
"volume_molar": 11.888707003392062,
"formula_full": "Li1 Tm1 Au2",
"formula_reduced": "LiTmAu2",
"formula_anonymous": "ABC2",
"energy": -15.85293425,
"energy_per_atom": -3.9632335625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85293425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.900000Z",
"spacegroup": 225
},
{
"id": "mp-972504",
"created_at": "2022-09-04T14:46:34.480828Z",
"structure_string": "Sm2 Al1 Zn1\n1.0\n0.000000 3.675914 3.675914\n3.675914 0.000000 3.675914\n3.675914 3.675914 0.000000\nSm Al Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Sm\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Al",
"Zn"
],
"chemical_system": "Al-Sm-Zn",
"density": 6.571095237080794,
"density_atomic": 0.04026558089200142,
"volume": 99.34042701950892,
"volume_molar": 14.95605086674975,
"formula_full": "Sm2 Al1 Zn1",
"formula_reduced": "Sm2AlZn",
"formula_anonymous": "ABC2",
"energy": -15.85261102,
"energy_per_atom": -3.963152755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85261102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.270000Z",
"spacegroup": 225
}
]
}