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=10164",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=10162",
"results": [
{
"id": "mp-1183863",
"created_at": "2022-09-04T14:39:41.860717Z",
"structure_string": "Ce2 Pm6\n1.0\n3.669424 -6.355629 0.000000\n3.669424 6.355629 0.000000\n0.000000 0.000000 5.982921\nCe Pm\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166877 0.333754 0.250000 Pm\n0.666246 0.833123 0.250000 Pm\n0.166877 0.833123 0.250000 Pm\n0.833123 0.666246 0.750000 Pm\n0.333754 0.166877 0.750000 Pm\n0.833123 0.166877 0.750000 Pm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Pm"
],
"chemical_system": "Ce-Pm",
"density": 6.844391511471545,
"density_atomic": 0.028667530802742282,
"volume": 279.0613553377515,
"volume_molar": 21.006834531503962,
"formula_full": "Ce2 Pm6",
"formula_reduced": "CePm3",
"formula_anonymous": "AB3",
"energy": -39.61517832,
"energy_per_atom": -4.95189729,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61517832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6566956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.329000Z",
"spacegroup": 194
},
{
"id": "mp-541742",
"created_at": "2022-09-04T14:39:41.958725Z",
"structure_string": "Cs6 Mo4 Cl18\n1.0\n3.783544 -6.553291 0.000000\n3.783544 6.553291 0.000000\n0.000000 0.000000 18.258430\nCs Mo Cl\n6 4 18\ndirect\n0.000000 0.000000 0.250000 Cs\n0.000000 0.000000 0.750000 Cs\n0.333333 0.666667 0.070842 Cs\n0.666667 0.333333 0.570842 Cs\n0.666667 0.333333 0.929158 Cs\n0.333333 0.666667 0.429158 Cs\n0.333333 0.666667 0.826472 Mo\n0.666667 0.333333 0.326472 Mo\n0.666667 0.333333 0.173528 Mo\n0.333333 0.666667 0.673528 Mo\n0.508944 0.017887 0.250000 Cl\n0.491056 0.508944 0.750000 Cl\n0.017887 0.508944 0.750000 Cl\n0.982113 0.491056 0.250000 Cl\n0.508944 0.491056 0.250000 Cl\n0.491056 0.982113 0.750000 Cl\n0.817898 0.635795 0.097448 Cl\n0.182102 0.817898 0.597448 Cl\n0.635795 0.817898 0.597448 Cl\n0.364205 0.182102 0.097448 Cl\n0.817898 0.182102 0.097448 Cl\n0.182102 0.364205 0.902552 Cl\n0.182102 0.817898 0.902552 Cl\n0.182102 0.364205 0.597448 Cl\n0.635795 0.817898 0.902552 Cl\n0.364205 0.182102 0.402552 Cl\n0.817898 0.635795 0.402552 Cl\n0.817898 0.182102 0.402552 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cs",
"Mo",
"Cl"
],
"chemical_system": "Cl-Cs-Mo",
"density": 3.336667251499182,
"density_atomic": 0.030924761766830955,
"volume": 905.423304829854,
"volume_molar": 19.473523532392033,
"formula_full": "Cs6 Mo4 Cl18",
"formula_reduced": "Cs3Mo2Cl9",
"formula_anonymous": "A2B3C9",
"energy": -132.68791391,
"energy_per_atom": -4.738854068214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.63591391,
"band_gap": 0.1505,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9988389,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.244000Z",
"spacegroup": 194
},
{
"id": "mp-769119",
"created_at": "2022-09-04T14:39:42.064898Z",
"structure_string": "Yb2 Sc2 O4\n1.0\n1.603898 -2.778033 0.000000\n1.603898 2.778033 0.000000\n0.000000 0.000000 10.817732\nYb Sc O\n2 2 4\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.333333 0.666667 0.114170 O\n0.333333 0.666667 0.385830 O\n0.666667 0.333333 0.614170 O\n0.666667 0.333333 0.885830 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Sc",
"O"
],
"chemical_system": "O-Sc-Yb",
"density": 8.612506360666817,
"density_atomic": 0.08298691632846152,
"volume": 96.4007382601863,
"volume_molar": 7.256735189634492,
"formula_full": "Yb2 Sc2 O4",
"formula_reduced": "YbScO2",
"formula_anonymous": "ABC2",
"energy": -62.82891413,
"energy_per_atom": -7.85361426625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.08091413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0422014,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.309000Z",
"spacegroup": 194
},
{
"id": "mp-1077295",
"created_at": "2022-09-04T14:39:42.089169Z",
"structure_string": "Yb2 Al2 Ga2\n1.0\n2.277965 -3.945550 0.000000\n2.277965 3.945550 0.000000\n0.000000 0.000000 7.152332\nYb Al Ga\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Ga"
],
"chemical_system": "Al-Ga-Yb",
"density": 6.967861249727162,
"density_atomic": 0.046667978681931455,
"volume": 128.567813937119,
"volume_molar": 12.904224545580343,
"formula_full": "Yb2 Al2 Ga2",
"formula_reduced": "YbAlGa",
"formula_anonymous": "ABC",
"energy": -19.1385039,
"energy_per_atom": -3.18975065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.1385039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001469,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.523000Z",
"spacegroup": 194
},
{
"id": "mp-1025087",
"created_at": "2022-09-04T14:39:42.146946Z",
"structure_string": "Nd2 Ni2 Sb2\n1.0\n2.189106 -3.791644 0.000000\n2.189106 3.791644 0.000000\n0.000000 0.000000 8.211873\nNd Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Sb"
],
"chemical_system": "Nd-Ni-Sb",
"density": 7.91022184360104,
"density_atomic": 0.0440133762918609,
"volume": 136.32219351255586,
"volume_molar": 13.682523967409503,
"formula_full": "Nd2 Ni2 Sb2",
"formula_reduced": "NdNiSb",
"formula_anonymous": "ABC",
"energy": -34.69736478,
"energy_per_atom": -5.78289413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.31336478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.879000Z",
"spacegroup": 194
},
{
"id": "mp-973465",
"created_at": "2022-09-04T14:39:42.502663Z",
"structure_string": "Ho6 In2\n1.0\n3.442529 -5.962634 0.000000\n3.442529 5.962634 0.000000\n0.000000 0.000000 5.502093\nHo In\n6 2\ndirect\n0.828719 0.171281 0.750000 Ho\n0.342563 0.171281 0.750000 Ho\n0.828719 0.657437 0.750000 Ho\n0.171281 0.828719 0.250000 Ho\n0.657437 0.828719 0.250000 Ho\n0.171281 0.342563 0.250000 Ho\n0.666667 0.333333 0.250000 In\n0.333333 0.666667 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"In"
],
"chemical_system": "Ho-In",
"density": 8.96306926511091,
"density_atomic": 0.035417369701902617,
"volume": 225.8778691736174,
"volume_molar": 17.00335403415486,
"formula_full": "Ho6 In2",
"formula_reduced": "Ho3In",
"formula_anonymous": "AB3",
"energy": -34.97618968,
"energy_per_atom": -4.37202371,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.97618968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4270129,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.137000Z",
"spacegroup": 194
},
{
"id": "mp-568789",
"created_at": "2022-09-04T14:39:42.643301Z",
"structure_string": "Ti2 Se2\n1.0\n1.710629 -2.962896 0.000000\n1.710629 2.962896 0.000000\n0.000000 0.000000 6.831500\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 6.082365393543836,
"density_atomic": 0.05776192855832264,
"volume": 69.24976537030219,
"volume_molar": 10.42579586642333,
"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy": -28.07564926,
"energy_per_atom": -7.018912315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.13164926,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001018,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.082000Z",
"spacegroup": 194
},
{
"id": "mp-11020",
"created_at": "2022-09-04T14:39:43.935304Z",
"structure_string": "Ga2 Ag2 O4\n1.0\n1.518717 -2.630495 0.000000\n1.518717 2.630495 0.000000\n0.000000 0.000000 12.572118\nGa Ag O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.250000 Ag\n0.333333 0.666667 0.419486 O\n0.666667 0.333333 0.919486 O\n0.333333 0.666667 0.080514 O\n0.666667 0.333333 0.580514 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 6.929419782595487,
"density_atomic": 0.07964109228558537,
"volume": 100.45065644394683,
"volume_molar": 7.5615999067481106,
"formula_full": "Ga2 Ag2 O4",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy": -44.19275526,
"energy_per_atom": -5.5240944075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.44475526,
"band_gap": 0.5832999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.263000Z",
"spacegroup": 194
},
{
"id": "mp-1247277",
"created_at": "2022-09-04T14:39:42.857878Z",
"structure_string": "Mn6 Fe2 N6\n1.0\n6.627190 -0.007377 0.000000\n-3.319892 5.728146 0.000000\n0.000000 0.000000 3.947458\nMn Fe N\n6 2 6\ndirect\n0.828967 0.656144 0.250000 Mn\n0.826961 0.171275 0.250000 Mn\n0.344464 0.173045 0.250000 Mn\n0.171033 0.343856 0.750000 Mn\n0.173039 0.828725 0.750000 Mn\n0.655536 0.826955 0.750000 Mn\n0.667022 0.333860 0.750000 Fe\n0.332978 0.666140 0.250000 Fe\n0.827057 0.652943 0.750000 N\n0.825224 0.173131 0.750000 N\n0.347544 0.175300 0.750000 N\n0.172943 0.347057 0.250000 N\n0.174776 0.826869 0.250000 N\n0.652456 0.824700 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"N"
],
"chemical_system": "Fe-Mn-N",
"density": 5.825377747917233,
"density_atomic": 0.09348615376155213,
"volume": 149.7547972260011,
"volume_molar": 6.441746202715973,
"formula_full": "Mn6 Fe2 N6",
"formula_reduced": "Mn3FeN3",
"formula_anonymous": "AB3C3",
"energy": -126.61567307,
"energy_per_atom": -9.043976647857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.44967307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.722218,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.035000Z",
"spacegroup": 194
},
{
"id": "mp-1193428",
"created_at": "2022-09-04T14:39:42.745881Z",
"structure_string": "Pr4 Ni20 Sn4\n1.0\n2.465652 -4.270634 0.000000\n2.465652 4.270634 0.000000\n0.000000 0.000000 19.748108\nPr Ni Sn\n4 20 4\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.834342 0.165658 0.354017 Ni\n0.834342 0.668684 0.354017 Ni\n0.331316 0.165658 0.354017 Ni\n0.165658 0.834342 0.645983 Ni\n0.165658 0.331316 0.645983 Ni\n0.668684 0.834342 0.645983 Ni\n0.165658 0.834342 0.854017 Ni\n0.165658 0.331316 0.854017 Ni\n0.668684 0.834342 0.854017 Ni\n0.834342 0.165658 0.145983 Ni\n0.834342 0.668684 0.145983 Ni\n0.331316 0.165658 0.145983 Ni\n0.333333 0.666667 0.956553 Ni\n0.666667 0.333333 0.043447 Ni\n0.666667 0.333333 0.456553 Ni\n0.333333 0.666667 0.543447 Ni\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.333333 0.666667 0.412378 Sn\n0.666667 0.333333 0.587622 Sn\n0.666667 0.333333 0.912378 Sn\n0.333333 0.666667 0.087622 Sn\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 8.833261164672098,
"density_atomic": 0.06732531717399139,
"volume": 415.8910967717914,
"volume_molar": 8.94483830568039,
"formula_full": "Pr4 Ni20 Sn4",
"formula_reduced": "PrNi5Sn",
"formula_anonymous": "ABC5",
"energy": -159.7062426,
"energy_per_atom": -5.703794378571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.7062426,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7581793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.313000Z",
"spacegroup": 194
},
{
"id": "mp-30223",
"created_at": "2022-09-04T14:39:42.876583Z",
"structure_string": "La4 Fe4 I2\n1.0\n2.035488 -3.525569 0.000000\n2.035488 3.525569 0.000000\n0.000000 0.000000 18.228543\nLa Fe I\n4 4 2\ndirect\n0.000000 0.000000 0.105666 La\n0.000000 0.000000 0.605666 La\n0.000000 0.000000 0.894334 La\n0.000000 0.000000 0.394334 La\n0.666667 0.333333 0.998207 Fe\n0.333333 0.666667 0.498207 Fe\n0.333333 0.666667 0.001793 Fe\n0.666667 0.333333 0.501793 Fe\n0.666667 0.333333 0.250000 I\n0.333333 0.666667 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Fe",
"I"
],
"chemical_system": "Fe-I-La",
"density": 6.555263575871913,
"density_atomic": 0.0382226049746883,
"volume": 261.62528709443484,
"volume_molar": 15.75544305258098,
"formula_full": "La4 Fe4 I2",
"formula_reduced": "La2Fe2I",
"formula_anonymous": "AB2C2",
"energy": -62.3563653,
"energy_per_atom": -6.23563653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.5983653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7716903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.510000Z",
"spacegroup": 194
},
{
"id": "mp-541899",
"created_at": "2022-09-04T14:39:43.062014Z",
"structure_string": "Cs2 Cd2 Br6\n1.0\n3.938605 -6.821864 0.000000\n3.938605 6.821864 0.000000\n0.000000 0.000000 6.919144\nCs Cd Br\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.163551 0.836449 0.250000 Br\n0.327103 0.163551 0.750000 Br\n0.836449 0.672897 0.750000 Br\n0.163551 0.327103 0.250000 Br\n0.672897 0.836449 0.250000 Br\n0.836449 0.163551 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Cd",
"Br"
],
"chemical_system": "Br-Cd-Cs",
"density": 4.332299359359421,
"density_atomic": 0.0268950372533149,
"volume": 371.81580771997136,
"volume_molar": 22.391271308827623,
"formula_full": "Cs2 Cd2 Br6",
"formula_reduced": "CsCdBr3",
"formula_anonymous": "ABC3",
"energy": -29.41243768,
"energy_per_atom": -2.941243768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.20843768,
"band_gap": 2.901,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.3e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.259000Z",
"spacegroup": 194
}
]
}