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=10252",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10250",
"results": [
{
"id": "mp-1193237",
"created_at": "2022-09-04T14:42:16.054753Z",
"structure_string": "Ba2 Al10 O18\n1.0\n2.853603 -4.942585 0.000000\n2.853603 4.942585 0.000000\n0.000000 0.000000 13.495697\nBa Al O\n2 10 18\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.120506 Al\n0.000000 0.000000 0.879494 Al\n0.000000 0.000000 0.620506 Al\n0.000000 0.000000 0.379494 Al\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.171526 0.828474 0.080207 O\n0.171526 0.343052 0.080207 O\n0.656948 0.828474 0.080207 O\n0.828474 0.171526 0.919793 O\n0.828474 0.656948 0.919793 O\n0.343052 0.171526 0.919793 O\n0.828474 0.171526 0.580207 O\n0.828474 0.656948 0.580207 O\n0.343052 0.171526 0.580207 O\n0.171526 0.828474 0.419793 O\n0.171526 0.343052 0.419793 O\n0.656948 0.828474 0.419793 O\n0.333333 0.666667 0.933666 O\n0.666667 0.333333 0.066334 O\n0.666667 0.333333 0.433666 O\n0.333333 0.666667 0.566334 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Al",
"O"
],
"chemical_system": "Al-Ba-O",
"density": 3.6311042681912955,
"density_atomic": 0.07880399599184944,
"volume": 380.69135482803244,
"volume_molar": 7.641923082965057,
"formula_full": "Ba2 Al10 O18",
"formula_reduced": "BaAl5O9",
"formula_anonymous": "AB5C9",
"energy": -228.87282547,
"energy_per_atom": -7.629094182333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.50682547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9995162,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.573000Z",
"spacegroup": 194
},
{
"id": "mp-7940",
"created_at": "2022-09-04T14:42:16.083874Z",
"structure_string": "K2 Nb2 Se4\n1.0\n1.818516 -3.149762 0.000000\n1.818516 3.149762 0.000000\n0.000000 0.000000 16.368432\nK Nb Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.333333 0.666667 0.150441 Se\n0.333333 0.666667 0.349559 Se\n0.666667 0.333333 0.650441 Se\n0.666667 0.333333 0.849559 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Nb",
"Se"
],
"chemical_system": "K-Nb-Se",
"density": 5.134904131363613,
"density_atomic": 0.04266365385501307,
"volume": 187.5132408299338,
"volume_molar": 14.115389133020509,
"formula_full": "K2 Nb2 Se4",
"formula_reduced": "KNbSe2",
"formula_anonymous": "ABC2",
"energy": -46.16629667,
"energy_per_atom": -5.77078708375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.27829667,
"band_gap": 0.6854999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.350000Z",
"spacegroup": 194
},
{
"id": "mp-1184504",
"created_at": "2022-09-04T14:42:24.800228Z",
"structure_string": "Eu6 W2\n1.0\n3.725786 -6.453250 0.000000\n3.725786 6.453250 0.000000\n0.000000 0.000000 5.614689\nEu W\n6 2\ndirect\n0.179342 0.358685 0.250000 Eu\n0.641315 0.820658 0.250000 Eu\n0.179342 0.820658 0.250000 Eu\n0.820658 0.641315 0.750000 Eu\n0.358685 0.179342 0.750000 Eu\n0.820658 0.179342 0.750000 Eu\n0.333333 0.666667 0.750000 W\n0.666667 0.333333 0.250000 W\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"W"
],
"chemical_system": "Eu-W",
"density": 7.8691001117020205,
"density_atomic": 0.029630425580447973,
"volume": 269.99274709300516,
"volume_molar": 20.324179089664472,
"formula_full": "Eu6 W2",
"formula_reduced": "Eu3W",
"formula_anonymous": "AB3",
"energy": -81.18268514,
"energy_per_atom": -10.1478356425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.18268514,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.956054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.913000Z",
"spacegroup": 194
},
{
"id": "mp-1079266",
"created_at": "2022-09-04T14:42:16.220196Z",
"structure_string": "Pr6 Al2\n1.0\n3.579887 -6.200546 0.000000\n3.579887 6.200546 0.000000\n0.000000 0.000000 5.472552\nPr Al\n6 2\ndirect\n0.821709 0.178291 0.250000 Pr\n0.821709 0.643418 0.250000 Pr\n0.356582 0.178291 0.250000 Pr\n0.178291 0.821709 0.750000 Pr\n0.178291 0.356582 0.750000 Pr\n0.643418 0.821709 0.750000 Pr\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pr",
"Al"
],
"chemical_system": "Al-Pr",
"density": 6.147339108035884,
"density_atomic": 0.032928416201570734,
"volume": 242.95125374473332,
"volume_molar": 18.288583098365763,
"formula_full": "Pr6 Al2",
"formula_reduced": "Pr3Al",
"formula_anonymous": "AB3",
"energy": -37.53049339,
"energy_per_atom": -4.69131167375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.53049339,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0109288,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.942000Z",
"spacegroup": 194
},
{
"id": "mp-1184707",
"created_at": "2022-09-04T14:42:16.260362Z",
"structure_string": "Ho6 Sc2\n1.0\n3.528477 -6.111502 0.000000\n3.528477 6.111502 0.000000\n0.000000 0.000000 5.514023\nHo Sc\n6 2\ndirect\n0.169088 0.338176 0.250000 Ho\n0.661824 0.830912 0.250000 Ho\n0.169088 0.830912 0.250000 Ho\n0.830912 0.661824 0.750000 Ho\n0.338176 0.169088 0.750000 Ho\n0.830912 0.169088 0.750000 Ho\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Sc"
],
"chemical_system": "Ho-Sc",
"density": 7.537640306212432,
"density_atomic": 0.03364001408271063,
"volume": 237.81202886331786,
"volume_molar": 17.90171890295104,
"formula_full": "Ho6 Sc2",
"formula_reduced": "Ho3Sc",
"formula_anonymous": "AB3",
"energy": -39.99996216,
"energy_per_atom": -4.99999527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.99996216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.123000Z",
"spacegroup": 194
},
{
"id": "mp-10394",
"created_at": "2022-09-04T14:42:16.552553Z",
"structure_string": "Cr2 Co2 Ge2\n1.0\n2.050256 -3.551147 0.000000\n2.050256 3.551147 0.000000\n0.000000 0.000000 5.104178\nCr Co Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.250000 Co\n0.666667 0.333333 0.750000 Co\n0.666667 0.333333 0.250000 Ge\n0.333333 0.666667 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Ge"
],
"chemical_system": "Co-Cr-Ge",
"density": 8.20250652110751,
"density_atomic": 0.08072697921294153,
"volume": 74.3245945593134,
"volume_molar": 7.459886172768591,
"formula_full": "Cr2 Co2 Ge2",
"formula_reduced": "CrCoGe",
"formula_anonymous": "ABC",
"energy": -43.29400264,
"energy_per_atom": -7.215667106666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.29400264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8341807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.024000Z",
"spacegroup": 194
},
{
"id": "mp-1184721",
"created_at": "2022-09-04T14:42:16.720713Z",
"structure_string": "Hf2 Co6\n1.0\n2.667011 -4.619399 0.000000\n2.667011 4.619399 0.000000\n0.000000 0.000000 4.240985\nHf Co\n2 6\ndirect\n0.333333 0.666667 0.750000 Hf\n0.666667 0.333333 0.250000 Hf\n0.154939 0.309877 0.250000 Co\n0.690123 0.845061 0.250000 Co\n0.154939 0.845061 0.250000 Co\n0.845061 0.690123 0.750000 Co\n0.309877 0.154939 0.750000 Co\n0.845061 0.154939 0.750000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Hf",
"Co"
],
"chemical_system": "Co-Hf",
"density": 11.291575815017504,
"density_atomic": 0.07655665896735622,
"volume": 104.4977681616331,
"volume_molar": 7.866253362190013,
"formula_full": "Hf2 Co6",
"formula_reduced": "HfCo3",
"formula_anonymous": "AB3",
"energy": -64.22474487,
"energy_per_atom": -8.02809310875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.22474487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4995337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.378000Z",
"spacegroup": 194
},
{
"id": "mp-11816",
"created_at": "2022-09-04T14:42:16.769723Z",
"structure_string": "Ba2 Cd2 Ge2\n1.0\n2.384755 -4.130516 0.000000\n2.384755 4.130516 0.000000\n0.000000 0.000000 9.628855\nBa Cd Ge\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n0.666667 0.333333 0.250000 Ge\n0.333333 0.666667 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ge"
],
"chemical_system": "Ba-Cd-Ge",
"density": 5.644061931203291,
"density_atomic": 0.03162995187600547,
"volume": 189.69361773046543,
"volume_molar": 19.039361120774913,
"formula_full": "Ba2 Cd2 Ge2",
"formula_reduced": "BaCdGe",
"formula_anonymous": "ABC",
"energy": -17.71793863,
"energy_per_atom": -2.9529897716666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.71793863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001098,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.951000Z",
"spacegroup": 194
},
{
"id": "mp-1187772",
"created_at": "2022-09-04T14:42:16.789505Z",
"structure_string": "U6 Ti2\n1.0\n2.944966 -5.100832 0.000000\n2.944966 5.100832 0.000000\n0.000000 0.000000 5.337720\nU Ti\n6 2\ndirect\n0.177911 0.355821 0.250000 U\n0.644179 0.822089 0.250000 U\n0.177911 0.822089 0.250000 U\n0.822089 0.644179 0.750000 U\n0.355821 0.177911 0.750000 U\n0.822089 0.177911 0.750000 U\n0.333333 0.666667 0.750000 Ti\n0.666667 0.333333 0.250000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Ti"
],
"chemical_system": "Ti-U",
"density": 15.779767625104247,
"density_atomic": 0.04988648422591662,
"volume": 160.36407704682273,
"volume_molar": 12.071688060293146,
"formula_full": "U6 Ti2",
"formula_reduced": "U3Ti",
"formula_anonymous": "AB3",
"energy": -81.36499391,
"energy_per_atom": -10.17062423875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.36499391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.107000Z",
"spacegroup": 194
},
{
"id": "mp-1186314",
"created_at": "2022-09-04T14:42:17.038064Z",
"structure_string": "Nd2 Hg6\n1.0\n3.392861 -5.876608 0.000000\n3.392861 5.876608 0.000000\n0.000000 0.000000 5.108232\nNd Hg\n2 6\ndirect\n0.333333 0.666667 0.750000 Nd\n0.666667 0.333333 0.250000 Nd\n0.835913 0.164087 0.750000 Hg\n0.328173 0.164087 0.750000 Hg\n0.835913 0.671827 0.750000 Hg\n0.164087 0.835913 0.250000 Hg\n0.671827 0.835913 0.250000 Hg\n0.164087 0.328173 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 12.162742374967966,
"density_atomic": 0.03927322704459765,
"volume": 203.7011114700457,
"volume_molar": 15.333959578013323,
"formula_full": "Nd2 Hg6",
"formula_reduced": "NdHg3",
"formula_anonymous": "AB3",
"energy": -14.54686015,
"energy_per_atom": -1.81835751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.54686015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.355000Z",
"spacegroup": 194
},
{
"id": "mp-975612",
"created_at": "2022-09-04T14:42:17.420558Z",
"structure_string": "Gd2 Er6\n1.0\n3.584658 -6.208810 0.000000\n3.584658 6.208810 0.000000\n0.000000 0.000000 5.650202\nGd Er\n2 6\ndirect\n0.333333 0.666667 0.750000 Gd\n0.666667 0.333333 0.250000 Gd\n0.166109 0.332219 0.250000 Er\n0.667781 0.833891 0.250000 Er\n0.166109 0.833891 0.250000 Er\n0.833891 0.667781 0.750000 Er\n0.332219 0.166109 0.750000 Er\n0.833891 0.166109 0.750000 Er\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Gd",
"Er"
],
"chemical_system": "Er-Gd",
"density": 8.702263580473264,
"density_atomic": 0.0318082604993981,
"volume": 251.50699454789054,
"volume_molar": 18.932631541149366,
"formula_full": "Gd2 Er6",
"formula_reduced": "GdEr3",
"formula_anonymous": "AB3",
"energy": -55.54560775,
"energy_per_atom": -6.94320096875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.54560775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.7034667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.641000Z",
"spacegroup": 194
},
{
"id": "mp-1186013",
"created_at": "2022-09-04T14:42:17.665263Z",
"structure_string": "Mn2 Pd6\n1.0\n2.792574 -4.836880 0.000000\n2.792574 4.836880 0.000000\n0.000000 0.000000 4.529462\nMn Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Mn\n0.333333 0.666667 0.750000 Mn\n0.664298 0.832149 0.250000 Pd\n0.167851 0.335702 0.250000 Pd\n0.167851 0.832149 0.250000 Pd\n0.832149 0.664298 0.750000 Pd\n0.335702 0.167851 0.750000 Pd\n0.832149 0.167851 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Pd"
],
"chemical_system": "Mn-Pd",
"density": 10.156264155896826,
"density_atomic": 0.06537976687044393,
"volume": 122.36201477825306,
"volume_molar": 9.211015958398,
"formula_full": "Mn2 Pd6",
"formula_reduced": "MnPd3",
"formula_anonymous": "AB3",
"energy": -51.0828627,
"energy_per_atom": -6.3853578375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.0828627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.1517201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.182000Z",
"spacegroup": 194
}
]
}