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=spacegroup&page=10267",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10265",
"results": [
{
"id": "mp-862984",
"created_at": "2022-09-04T14:42:46.811449Z",
"structure_string": "Pm2 B6\n1.0\n2.790532 -4.833343 0.000000\n2.790532 4.833343 0.000000\n0.000000 0.000000 3.441500\nPm B\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.892907 0.107093 0.750000 B\n0.214186 0.107093 0.750000 B\n0.892907 0.785814 0.750000 B\n0.107093 0.892907 0.250000 B\n0.785814 0.892907 0.250000 B\n0.107093 0.214186 0.250000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"B"
],
"chemical_system": "B-Pm",
"density": 6.34747641633839,
"density_atomic": 0.08617426625978264,
"volume": 92.8351391572403,
"volume_molar": 6.988328443488611,
"formula_full": "Pm2 B6",
"formula_reduced": "PmB3",
"formula_anonymous": "AB3",
"energy": -50.38970586,
"energy_per_atom": -6.2987132325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.38970586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.749000Z",
"spacegroup": 194
},
{
"id": "mp-1207954",
"created_at": "2022-09-04T14:42:46.842952Z",
"structure_string": "U4 Mn6 Si2\n1.0\n-2.577967 -4.465168 0.000000\n-2.577967 4.465168 0.000000\n0.000000 0.000000 -7.757756\nU Mn Si\n4 6 2\ndirect\n0.666667 0.333333 0.425172 U\n0.333333 0.666667 0.574828 U\n0.333333 0.666667 0.925172 U\n0.666667 0.333333 0.074828 U\n0.831020 0.168980 0.750000 Mn\n0.168980 0.831020 0.250000 Mn\n0.337961 0.168980 0.750000 Mn\n0.662039 0.831020 0.250000 Mn\n0.831020 0.662039 0.750000 Mn\n0.168980 0.337961 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-U",
"density": 12.439310891751719,
"density_atomic": 0.06718927843333568,
"volume": 178.5999236754156,
"volume_molar": 8.962949000821743,
"formula_full": "U4 Mn6 Si2",
"formula_reduced": "U2Mn3Si",
"formula_anonymous": "AB2C3",
"energy": -114.47260612000002,
"energy_per_atom": -9.539383843333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.61460612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.4781879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.700000Z",
"spacegroup": 194
},
{
"id": "mp-30672",
"created_at": "2022-09-04T14:42:51.210037Z",
"structure_string": "Ti6 Ga2\n1.0\n2.849224 -4.935001 0.000000\n2.849224 4.935001 0.000000\n0.000000 0.000000 4.651062\nTi Ga\n6 2\ndirect\n0.169797 0.339594 0.750000 Ti\n0.830203 0.169797 0.250000 Ti\n0.830203 0.660406 0.250000 Ti\n0.169797 0.830203 0.750000 Ti\n0.660406 0.830203 0.750000 Ti\n0.339594 0.169797 0.250000 Ti\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Ga"
],
"chemical_system": "Ga-Ti",
"density": 5.416551144187925,
"density_atomic": 0.061163738604772554,
"volume": 130.79645199084948,
"volume_molar": 9.845933059968472,
"formula_full": "Ti6 Ga2",
"formula_reduced": "Ti3Ga",
"formula_anonymous": "AB3",
"energy": -56.00010115,
"energy_per_atom": -7.00001264375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.00010115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0170084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.320000Z",
"spacegroup": 194
},
{
"id": "mp-997180",
"created_at": "2022-09-04T14:42:45.735100Z",
"structure_string": "V2 Cu2 O4\n1.0\n1.524931 -2.641257 0.000000\n1.524931 2.641257 0.000000\n0.000000 0.000000 11.588147\nV Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.590553 O\n0.666667 0.333333 0.909447 O\n0.333333 0.666667 0.090553 O\n0.333333 0.666667 0.409447 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-V",
"density": 5.211602179724571,
"density_atomic": 0.08570085235894462,
"volume": 93.3479630575114,
"volume_molar": 7.02693216489517,
"formula_full": "V2 Cu2 O4",
"formula_reduced": "VCuO2",
"formula_anonymous": "ABC2",
"energy": -60.93396058,
"energy_per_atom": -7.6167450725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.78596058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0007359,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.423000Z",
"spacegroup": 194
},
{
"id": "mp-1215796",
"created_at": "2022-09-04T14:42:47.450619Z",
"structure_string": "Zr4 Co6 Mo2\n1.0\n2.527486 -4.377735 0.000000\n2.527486 4.377735 0.000000\n0.000000 0.000000 8.039456\nZr Co Mo\n4 6 2\ndirect\n0.333333 0.666667 0.437289 Zr\n0.666667 0.333333 0.562711 Zr\n0.666667 0.333333 0.937289 Zr\n0.333333 0.666667 0.062711 Zr\n0.828220 0.171780 0.250000 Co\n0.828220 0.656439 0.250000 Co\n0.343561 0.171780 0.250000 Co\n0.171780 0.828220 0.750000 Co\n0.171780 0.343561 0.750000 Co\n0.656439 0.828220 0.750000 Co\n0.000000 0.000000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"Mo"
],
"chemical_system": "Co-Mo-Zr",
"density": 8.49717604162762,
"density_atomic": 0.06745068436284107,
"volume": 177.9077575469473,
"volume_molar": 8.928212985363908,
"formula_full": "Zr4 Co6 Mo2",
"formula_reduced": "Zr2Co3Mo",
"formula_anonymous": "AB2C3",
"energy": -101.61782121,
"energy_per_atom": -8.4681517675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.61782121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.022859,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.500000Z",
"spacegroup": 194
},
{
"id": "mp-1213428",
"created_at": "2022-09-04T14:42:45.794718Z",
"structure_string": "Dy4 Mn34 C6\n1.0\n0.000000 0.000000 -8.323825\n-4.273589 -7.402074 0.000000\n-4.273589 7.402074 0.000000\nDy Mn C\n4 34 6\ndirect\n0.750000 0.666667 0.333333 Dy\n0.250000 0.333333 0.666667 Dy\n0.750000 0.000000 0.000000 Dy\n0.250000 0.000000 0.000000 Dy\n0.750000 0.614393 0.672227 Mn\n0.250000 0.385607 0.327773 Mn\n0.750000 0.057834 0.385607 Mn\n0.250000 0.942166 0.327773 Mn\n0.250000 0.942166 0.614393 Mn\n0.750000 0.057834 0.672227 Mn\n0.750000 0.327773 0.942166 Mn\n0.250000 0.672227 0.614393 Mn\n0.250000 0.672227 0.057834 Mn\n0.750000 0.327773 0.385607 Mn\n0.250000 0.385607 0.057834 Mn\n0.750000 0.614393 0.942166 Mn\n0.388949 0.666667 0.333333 Mn\n0.611051 0.333333 0.666667 Mn\n0.888949 0.333333 0.666667 Mn\n0.111051 0.666667 0.333333 Mn\n0.976520 0.827397 0.172603 Mn\n0.023480 0.172603 0.827397 Mn\n0.976520 0.345207 0.172603 Mn\n0.476520 0.172603 0.827397 Mn\n0.023480 0.654793 0.827397 Mn\n0.523480 0.827397 0.172603 Mn\n0.976520 0.827397 0.654793 Mn\n0.476520 0.654793 0.827397 Mn\n0.023480 0.172603 0.345207 Mn\n0.523480 0.345207 0.172603 Mn\n0.476520 0.172603 0.345207 Mn\n0.523480 0.827397 0.654793 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.750000 0.836127 0.163873 C\n0.250000 0.163873 0.836127 C\n0.750000 0.327746 0.163873 C\n0.250000 0.672254 0.836127 C\n0.750000 0.836127 0.672254 C\n0.250000 0.163873 0.327746 C\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"C"
],
"chemical_system": "C-Dy-Mn",
"density": 8.166625897285941,
"density_atomic": 0.08355136788303381,
"volume": 526.6221381509514,
"volume_molar": 7.207710552902717,
"formula_full": "Dy4 Mn34 C6",
"formula_reduced": "Dy2Mn17C3",
"formula_anonymous": "A2B3C17",
"energy": -389.35224534,
"energy_per_atom": -8.848914666818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -389.35224534,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0430411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.412000Z",
"spacegroup": 194
},
{
"id": "mp-12735",
"created_at": "2022-09-04T14:42:46.260413Z",
"structure_string": "K4 Ag8\n1.0\n2.956080 -5.120081 0.000000\n2.956080 5.120081 0.000000\n0.000000 0.000000 10.066260\nK Ag\n4 8\ndirect\n0.333333 0.666667 0.061356 K\n0.666667 0.333333 0.561356 K\n0.666667 0.333333 0.938644 K\n0.333333 0.666667 0.438644 K\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.834883 0.669766 0.250000 Ag\n0.165117 0.834883 0.750000 Ag\n0.669766 0.834883 0.750000 Ag\n0.330234 0.165117 0.250000 Ag\n0.834883 0.165117 0.250000 Ag\n0.165117 0.330234 0.750000 Ag\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 5.55490324719371,
"density_atomic": 0.03938130396803344,
"volume": 304.71311995510945,
"volume_molar": 15.29187749823695,
"formula_full": "K4 Ag8",
"formula_reduced": "KAg2",
"formula_anonymous": "AB2",
"energy": -27.28157569,
"energy_per_atom": -2.273464640833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.28157569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.811000Z",
"spacegroup": 194
},
{
"id": "mp-1186752",
"created_at": "2022-09-04T14:42:46.141580Z",
"structure_string": "Pr2 Ir6\n1.0\n3.022639 -5.235365 0.000000\n3.022639 5.235365 0.000000\n0.000000 0.000000 4.670051\nPr Ir\n2 6\ndirect\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.149072 0.298144 0.250000 Ir\n0.701856 0.850928 0.250000 Ir\n0.149072 0.850928 0.250000 Ir\n0.850928 0.701856 0.750000 Ir\n0.298144 0.149072 0.750000 Ir\n0.850928 0.149072 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Ir"
],
"chemical_system": "Ir-Pr",
"density": 16.12321448356526,
"density_atomic": 0.05412589878597663,
"volume": 147.80355023079457,
"volume_molar": 11.12617230396969,
"formula_full": "Pr2 Ir6",
"formula_reduced": "PrIr3",
"formula_anonymous": "AB3",
"energy": -63.45490968,
"energy_per_atom": -7.93186371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.45490968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.580000Z",
"spacegroup": 194
},
{
"id": "mp-862655",
"created_at": "2022-09-04T14:42:46.194043Z",
"structure_string": "Ru6 W2\n1.0\n2.759070 -4.778850 0.000000\n2.759070 4.778850 0.000000\n0.000000 0.000000 4.382490\nRu W\n6 2\ndirect\n0.166743 0.333486 0.250000 Ru\n0.666514 0.833257 0.250000 Ru\n0.166743 0.833257 0.250000 Ru\n0.833257 0.666514 0.750000 Ru\n0.333486 0.166743 0.750000 Ru\n0.833257 0.166743 0.750000 Ru\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ru",
"W"
],
"chemical_system": "Ru-W",
"density": 13.996375756533814,
"density_atomic": 0.06922340208588548,
"volume": 115.56785362953411,
"volume_molar": 8.699573523601641,
"formula_full": "Ru6 W2",
"formula_reduced": "Ru3W",
"formula_anonymous": "AB3",
"energy": -82.11860344,
"energy_per_atom": -10.26482543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.11860344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.536000Z",
"spacegroup": 194
},
{
"id": "mp-1191857",
"created_at": "2022-09-04T14:42:46.182864Z",
"structure_string": "Pr6 Al2 Ni16\n1.0\n5.162369 0.000000 0.000000\n-2.581185 4.470743 0.000000\n0.000000 0.000000 16.248416\nPr Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.953773 Pr\n0.666667 0.333333 0.046227 Pr\n0.666667 0.333333 0.453773 Pr\n0.333333 0.666667 0.546227 Pr\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.167882 0.832118 0.372548 Ni\n0.167882 0.335764 0.372548 Ni\n0.664236 0.832118 0.372548 Ni\n0.832118 0.167882 0.627452 Ni\n0.832118 0.664236 0.627452 Ni\n0.335764 0.167882 0.627452 Ni\n0.832118 0.167882 0.872548 Ni\n0.832118 0.664236 0.872548 Ni\n0.335764 0.167882 0.872548 Ni\n0.167882 0.832118 0.127452 Ni\n0.167882 0.335764 0.127452 Ni\n0.664236 0.832118 0.127452 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Pr",
"density": 8.14092493895792,
"density_atomic": 0.063998745750174,
"volume": 375.0073492641025,
"volume_molar": 9.40977934709545,
"formula_full": "Pr6 Al2 Ni16",
"formula_reduced": "Pr3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -136.32337775,
"energy_per_atom": -5.680140739583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.32337775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.134132,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.273000Z",
"spacegroup": 194
},
{
"id": "mp-1185333",
"created_at": "2022-09-04T14:42:46.208690Z",
"structure_string": "Li2 Au6\n1.0\n2.838855 -4.917041 0.000000\n2.838855 4.917041 0.000000\n0.000000 0.000000 4.881886\nLi Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Li\n0.333333 0.666667 0.750000 Li\n0.831486 0.168514 0.750000 Au\n0.662971 0.831486 0.250000 Au\n0.168514 0.337029 0.250000 Au\n0.168514 0.831486 0.250000 Au\n0.831486 0.662971 0.750000 Au\n0.337029 0.168514 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"Au"
],
"chemical_system": "Au-Li",
"density": 14.567999112294606,
"density_atomic": 0.05869827213094806,
"volume": 136.29021280478344,
"volume_molar": 10.259485571509503,
"formula_full": "Li2 Au6",
"formula_reduced": "LiAu3",
"formula_anonymous": "AB3",
"energy": -26.26199591,
"energy_per_atom": -3.28274948875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.26199591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032559,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.361000Z",
"spacegroup": 194
},
{
"id": "mp-1187009",
"created_at": "2022-09-04T14:42:46.332584Z",
"structure_string": "Sc2 Pb6\n1.0\n6.575451 0.000000 0.000000\n-3.287726 5.694508 0.000000\n0.000000 0.000000 6.030236\nSc Pb\n2 6\ndirect\n0.333333 0.666666 0.750001 Sc\n0.666667 0.333332 0.250001 Sc\n0.169796 0.339592 0.250001 Pb\n0.660408 0.830203 0.250001 Pb\n0.169795 0.830203 0.250001 Pb\n0.830203 0.660408 0.750001 Pb\n0.339592 0.169795 0.750001 Pb\n0.830203 0.169795 0.750001 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Pb"
],
"chemical_system": "Pb-Sc",
"density": 9.803916768836075,
"density_atomic": 0.035430226175329996,
"volume": 225.79590546250552,
"volume_molar": 16.997184071585764,
"formula_full": "Sc2 Pb6",
"formula_reduced": "ScPb3",
"formula_anonymous": "AB3",
"energy": -35.71235061,
"energy_per_atom": -4.46404382625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.71235061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.836000Z",
"spacegroup": 194
}
]
}