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=12186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=12184",
"results": [
{
"id": "mp-999201",
"created_at": "2022-09-04T14:42:51.228621Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n0.000000 3.189633 3.189633\n3.189633 0.000000 3.189633\n3.189633 3.189633 0.000000\nSc Mn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Si"
],
"chemical_system": "Mn-Sc-Si",
"density": 4.424668912555123,
"density_atomic": 0.06163222519740622,
"volume": 64.90111280564861,
"volume_molar": 9.77109091990636,
"formula_full": "Sc2 Mn1 Si1",
"formula_reduced": "Sc2MnSi",
"formula_anonymous": "ABC2",
"energy": -27.98251908,
"energy_per_atom": -6.99562977,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.05351908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0008547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.278000Z",
"spacegroup": 216
},
{
"id": "mp-999203",
"created_at": "2022-09-04T14:45:53.113518Z",
"structure_string": "Sc2 C2\n1.0\n1.608451 -2.785919 0.000000\n1.608451 2.785919 0.000000\n0.000000 0.000000 5.954552\nSc C\n2 2\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.545227228559419,
"density_atomic": 0.07495568598654793,
"volume": 53.36486415077127,
"volume_molar": 8.03426808885556,
"formula_full": "Sc2 C2",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -30.50698174,
"energy_per_atom": -7.626745435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.50698174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1185736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.097000Z",
"spacegroup": 194
},
{
"id": "mp-999204",
"created_at": "2022-09-04T14:46:24.150785Z",
"structure_string": "Sc1 Al3\n1.0\n-2.012795 2.012795 4.423196\n2.012795 -2.012795 4.423196\n2.012795 2.012795 -4.423196\nSc Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 2.9166302973646685,
"density_atomic": 0.05580392237777594,
"volume": 71.67954920661653,
"volume_molar": 10.791608373389776,
"formula_full": "Sc1 Al3",
"formula_reduced": "ScAl3",
"formula_anonymous": "AB3",
"energy": -19.01617892,
"energy_per_atom": -4.75404473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.01617892,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000114,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.740000Z",
"spacegroup": 139
},
{
"id": "mp-999205",
"created_at": "2022-09-04T14:42:15.617190Z",
"structure_string": "Sc2 C2\n1.0\n1.979444 -3.428498 0.000000\n1.979444 3.428498 0.000000\n0.000000 0.000000 4.578002\nSc C\n2 2\ndirect\n0.666667 0.333333 0.250000 Sc\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.250000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.0447132026516175,
"density_atomic": 0.06437346664230224,
"volume": 62.13740239012464,
"volume_molar": 9.355004591352277,
"formula_full": "Sc2 C2",
"formula_reduced": "ScC",
"formula_anonymous": "AB",
"energy": -30.5917588,
"energy_per_atom": -7.6479397,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.5917588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.622000Z",
"spacegroup": 194
},
{
"id": "mp-999206",
"created_at": "2022-09-04T14:40:10.123640Z",
"structure_string": "Sc2 Al2\n1.0\n2.163399 -5.250219 0.000000\n2.163399 5.250219 0.000000\n0.000000 0.000000 3.771292\nSc Al\n2 2\ndirect\n0.864681 0.135319 0.250000 Sc\n0.135319 0.864681 0.750000 Sc\n0.584505 0.415495 0.250000 Al\n0.415495 0.584505 0.750000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Al"
],
"chemical_system": "Al-Sc",
"density": 2.7886880549093656,
"density_atomic": 0.04669020619476446,
"volume": 85.67107164432558,
"volume_molar": 12.898081312554332,
"formula_full": "Sc2 Al2",
"formula_reduced": "ScAl",
"formula_anonymous": "AB",
"energy": -21.49789683,
"energy_per_atom": -5.3744742075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.49789683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0112711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.580000Z",
"spacegroup": 63
},
{
"id": "mp-999207",
"created_at": "2022-09-04T14:40:34.592164Z",
"structure_string": "Sc2 Mn1 Sn1\n1.0\n0.000000 3.372686 3.372686\n3.372686 0.000000 3.372686\n3.372686 3.372686 0.000000\nSc Mn Sn\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sc-Sn",
"density": 5.703883612611752,
"density_atomic": 0.05213174545275824,
"volume": 76.72867971828792,
"volume_molar": 11.551772739812176,
"formula_full": "Sc2 Mn1 Sn1",
"formula_reduced": "Sc2MnSn",
"formula_anonymous": "ABC2",
"energy": -26.55009701,
"energy_per_atom": -6.6375242525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.55009701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.479000Z",
"spacegroup": 216
},
{
"id": "mp-999208",
"created_at": "2022-09-04T14:46:15.658004Z",
"structure_string": "Sc2 Mn1 Si1\n1.0\n0.000000 3.196771 3.196771\n3.196771 0.000000 3.196771\n3.196771 3.196771 0.000000\nSc Mn Si\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Si"
],
"chemical_system": "Mn-Sc-Si",
"density": 4.395095804981639,
"density_atomic": 0.06122029461869463,
"volume": 65.33781036033325,
"volume_molar": 9.836837273502828,
"formula_full": "Sc2 Mn1 Si1",
"formula_reduced": "Sc2MnSi",
"formula_anonymous": "ABC2",
"energy": -28.32924649,
"energy_per_atom": -7.0823116225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.40024649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.375598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.194000Z",
"spacegroup": 225
},
{
"id": "mp-999249",
"created_at": "2022-09-04T14:39:39.375656Z",
"structure_string": "Sc2 Mn1 Ge1\n1.0\n0.000000 3.228577 3.228577\n3.228577 0.000000 3.228577\n3.228577 3.228577 0.000000\nSc Mn Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sc",
"density": 5.365679001972899,
"density_atomic": 0.05942874375270097,
"volume": 67.30749713716108,
"volume_molar": 10.133380549082027,
"formula_full": "Sc2 Mn1 Ge1",
"formula_reduced": "Sc2MnGe",
"formula_anonymous": "ABC2",
"energy": -27.19543929,
"energy_per_atom": -6.7988598225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.19543929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0010671,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.364000Z",
"spacegroup": 216
},
{
"id": "mp-999256",
"created_at": "2022-09-04T14:40:21.111448Z",
"structure_string": "Sc2 Mn1 C1\n1.0\n0.000000 2.958773 2.958773\n2.958773 0.000000 2.958773\n2.958773 2.958773 0.000000\nSc Mn C\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"C"
],
"chemical_system": "C-Mn-Sc",
"density": 5.0280310047031564,
"density_atomic": 0.07721382284780717,
"volume": 51.80419583530046,
"volume_molar": 7.799303981969628,
"formula_full": "Sc2 Mn1 C1",
"formula_reduced": "Sc2MnC",
"formula_anonymous": "ABC2",
"energy": -27.75709542,
"energy_per_atom": -6.939273855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.75709542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0006921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.267000Z",
"spacegroup": 216
},
{
"id": "mp-999257",
"created_at": "2022-09-04T14:42:42.024721Z",
"structure_string": "Sc2 Mn1 C1\n1.0\n0.000000 3.015000 3.015000\n3.015000 0.000000 3.015000\n3.015000 3.015000 0.000000\nSc Mn C\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"C"
],
"chemical_system": "C-Mn-Sc",
"density": 4.75193989055745,
"density_atomic": 0.072973982171097,
"volume": 54.814056750000006,
"volume_molar": 8.252449134378205,
"formula_full": "Sc2 Mn1 C1",
"formula_reduced": "Sc2MnC",
"formula_anonymous": "ABC2",
"energy": -28.93761651,
"energy_per_atom": -7.2344041275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.93761651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5851196,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.598000Z",
"spacegroup": 225
},
{
"id": "mp-999258",
"created_at": "2022-09-04T14:47:03.979233Z",
"structure_string": "Sc2 Mn1 Ge1\n1.0\n0.000000 3.310930 3.310930\n3.310930 0.000000 3.310930\n3.310930 3.310930 0.000000\nSc Mn Ge\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Sc",
"density": 4.975172423817386,
"density_atomic": 0.05510360328894699,
"volume": 72.59053421652271,
"volume_molar": 10.928760372387403,
"formula_full": "Sc2 Mn1 Ge1",
"formula_reduced": "Sc2MnGe",
"formula_anonymous": "ABC2",
"energy": -27.69924297,
"energy_per_atom": -6.9248107425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.69924297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5960569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.129000Z",
"spacegroup": 225
},
{
"id": "mp-999259",
"created_at": "2022-09-04T14:39:33.880304Z",
"structure_string": "Ru2 C2\n1.0\n6.336574 -1.392756 0.000000\n6.336574 1.392756 0.000000\n6.030451 0.000000 2.392821\nRu C\n2 2\ndirect\n0.228947 0.228947 0.228947 Ru\n0.771053 0.771053 0.771053 Ru\n0.037124 0.037124 0.037124 C\n0.962876 0.962876 0.962876 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ru",
"C"
],
"chemical_system": "C-Ru",
"density": 8.89196664776632,
"density_atomic": 0.09470877842917387,
"volume": 42.234733319798046,
"volume_molar": 6.358587725322148,
"formula_full": "Ru2 C2",
"formula_reduced": "RuC",
"formula_anonymous": "AB",
"energy": -35.54160397,
"energy_per_atom": -8.8854009925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.54160397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.96e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.807000Z",
"spacegroup": 166
}
]
}