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=formula_anonymous&page=32",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=30",
"results": [
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
},
{
"id": "mp-146",
"created_at": "2022-09-04T14:46:42.215982Z",
"structure_string": "V1\n1.0\n-1.496272 1.496272 1.496272\n1.496272 -1.496272 1.496272\n1.496272 1.496272 -1.496272\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.312904042916114,
"density_atomic": 0.07462912706526477,
"volume": 13.399593956465264,
"volume_molar": 8.069424093267912,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -9.08390607,
"energy_per_atom": -9.08390607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.08390607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135813,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.718000Z",
"spacegroup": 229
},
{
"id": "mp-998864",
"created_at": "2022-09-04T14:44:20.031647Z",
"structure_string": "Br1\n1.0\n-1.280514 1.941999 3.896745\n1.280514 -1.941999 3.896745\n1.280514 1.941999 -3.896745\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 3.423121443241446,
"density_atomic": 0.025799107900603573,
"volume": 38.76103018184613,
"volume_molar": 23.342437975768583,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -1.55302833,
"energy_per_atom": -1.55302833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.55302833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.553000Z",
"spacegroup": 71
},
{
"id": "mp-1183144",
"created_at": "2022-09-04T14:42:52.372727Z",
"structure_string": "Al4\n1.0\n1.428573 -2.474362 0.000000\n1.428573 2.474362 0.000000\n0.000000 0.000000 9.296985\nAl\n4\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.726704024337018,
"density_atomic": 0.060858632617380067,
"volume": 65.7260905802487,
"volume_molar": 9.895294226969193,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -14.93651943,
"energy_per_atom": -3.7341298575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.93651943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.115000Z",
"spacegroup": 194
},
{
"id": "mp-8632",
"created_at": "2022-09-04T14:42:47.362829Z",
"structure_string": "V1\n1.0\n0.000000 1.909544 1.909544\n1.909544 0.000000 1.909544\n1.909544 1.909544 0.000000\nV\n1\ndirect\n0.000000 0.000000 0.000000 V\n",
"nsites": 1,
"nelements": 1,
"elements": [
"V"
],
"chemical_system": "V",
"density": 6.0743780976875925,
"density_atomic": 0.07180934983535475,
"volume": 13.92576318115692,
"volume_molar": 8.386290606735237,
"formula_full": "V1",
"formula_reduced": "V",
"formula_anonymous": "A",
"energy": -8.83676567,
"energy_per_atom": -8.83676567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.83676567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.043000Z",
"spacegroup": 225
},
{
"id": "mp-1183542",
"created_at": "2022-09-04T14:40:41.057935Z",
"structure_string": "Cd1\n1.0\n2.639985 -1.643321 0.000000\n2.639985 1.643321 0.000000\n1.617061 0.000000 2.656151\nCd\n1\ndirect\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.099370911607961,
"density_atomic": 0.04339037257386594,
"volume": 23.046587080985354,
"volume_molar": 13.878979143929135,
"formula_full": "Cd1",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -0.90473076,
"energy_per_atom": -0.90473076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.90473076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.623000Z",
"spacegroup": 166
},
{
"id": "mp-1180050",
"created_at": "2022-09-04T14:42:15.429650Z",
"structure_string": "O8\n1.0\n4.230595 3.406919 0.000000\n-4.230595 3.406919 0.000000\n0.000000 1.349883 3.127495\nO\n8\ndirect\n0.774957 0.113939 0.647086 O\n0.886061 0.225043 0.852914 O\n0.225043 0.886061 0.352914 O\n0.113939 0.774957 0.147086 O\n0.717711 0.753319 0.827685 O\n0.246681 0.282289 0.672315 O\n0.282289 0.246681 0.172315 O\n0.753319 0.717711 0.327685 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 2.3575065117612257,
"density_atomic": 0.08873605298541794,
"volume": 90.15501288202042,
"volume_molar": 6.786577222439253,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -33.4314924,
"energy_per_atom": -4.17893655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.4314924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.64e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.829000Z",
"spacegroup": 15
},
{
"id": "mp-1008283",
"created_at": "2022-09-04T14:48:16.076003Z",
"structure_string": "Ba2\n1.0\n3.698491 -6.405974 0.000000\n3.698491 6.405974 0.000000\n0.000000 0.000000 4.071332\nBa\n2\ndirect\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 2.364061517729881,
"density_atomic": 0.01036701539390541,
"volume": 192.91955534046622,
"volume_molar": 58.08943588084487,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -2.38228657,
"energy_per_atom": -1.191143285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38228657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5713263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.180000Z",
"spacegroup": 191
},
{
"id": "mp-1187761",
"created_at": "2022-09-04T14:45:12.740042Z",
"structure_string": "Xe4\n1.0\n2.418309 -4.188633 0.000000\n2.418309 4.188633 0.000000\n0.000000 0.000000 15.642784\nXe\n4\ndirect\n0.000000 0.000000 0.000000 Xe\n0.333333 0.666667 0.250000 Xe\n0.000000 0.000000 0.500000 Xe\n0.666667 0.333333 0.750000 Xe\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Xe"
],
"chemical_system": "Xe",
"density": 2.7518357881595743,
"density_atomic": 0.012622106639675694,
"volume": 316.9043103650069,
"volume_molar": 47.71105911171997,
"formula_full": "Xe4",
"formula_reduced": "Xe",
"formula_anonymous": "A",
"energy": -0.13871869,
"energy_per_atom": -0.0346796725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.13871869,
"band_gap": 6.1951,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.482000Z",
"spacegroup": 194
},
{
"id": "mp-570002",
"created_at": "2022-09-04T14:48:03.128865Z",
"structure_string": "C8\n1.0\n-2.438465 2.438465 2.438465\n2.438465 -2.438465 2.438465\n2.438465 2.438465 -2.438465\nC\n8\ndirect\n0.325233 0.000000 0.000000 C\n0.674767 0.674767 0.674767 C\n0.000000 0.325233 0.000000 C\n0.000000 0.000000 0.325233 C\n0.000000 0.674767 0.000000 C\n0.325233 0.325233 0.325233 C\n0.674767 0.000000 0.000000 C\n0.000000 0.000000 0.674767 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.751045879921811,
"density_atomic": 0.13793688570884688,
"volume": 57.99753966380077,
"volume_molar": 4.365866844863641,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -67.70499972,
"energy_per_atom": -8.463124965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70499972,
"band_gap": 3.0059000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001004,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:24.443000Z",
"spacegroup": 229
},
{
"id": "mp-89",
"created_at": "2022-09-04T14:40:19.328949Z",
"structure_string": "Cr2\n1.0\n1.245318 -2.156954 0.000000\n1.245318 2.156954 0.000000\n0.000000 0.000000 4.449632\nCr\n2\ndirect\n0.333333 0.666667 0.250000 Cr\n0.666667 0.333333 0.750000 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.223948217395726,
"density_atomic": 0.08366710776989442,
"volume": 23.90425644329075,
"volume_molar": 7.197739853231693,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -18.46538637,
"energy_per_atom": -9.232693185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.46538637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028305,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.540000Z",
"spacegroup": 194
},
{
"id": "mp-674158",
"created_at": "2022-09-04T14:41:51.266078Z",
"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.42149548918761226,
"density_atomic": 0.00819501733909508,
"volume": 122.02536719835948,
"volume_molar": 73.48539375592077,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -1.89552785,
"energy_per_atom": -1.89552785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.89552785,
"band_gap": 2.0034,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
}
]
}