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=is_stable&page=12116",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12114",
"results": [
{
"id": "mp-850986",
"created_at": "2022-09-04T14:42:44.066210Z",
"structure_string": "Li6 Co6 O5 F11\n1.0\n2.972125 5.250240 0.000000\n-2.972125 5.250240 0.000000\n0.000000 3.569278 9.883987\nLi Co O F\n6 6 5 11\ndirect\n0.376255 0.376255 0.873817 Li\n0.194728 0.194728 0.445327 Li\n0.502368 0.502368 0.506235 Li\n0.868313 0.868313 0.375410 Li\n0.440511 0.440511 0.190533 Li\n0.008849 0.008849 0.993269 Li\n0.930358 0.930358 0.687891 Co\n0.694047 0.694047 0.917145 Co\n0.970163 0.424894 0.183490 Co\n0.475595 0.921007 0.688982 Co\n0.921007 0.475595 0.688982 Co\n0.424894 0.970163 0.183490 Co\n0.575217 0.575217 0.812735 O\n0.571114 0.042936 0.812137 O\n0.042936 0.571114 0.812137 O\n0.306854 0.306854 0.077699 O\n0.812207 0.812207 0.568831 O\n0.072536 0.072536 0.796249 F\n0.304172 0.839986 0.569521 F\n0.839986 0.304172 0.569521 F\n0.070070 0.542321 0.308365 F\n0.542321 0.070070 0.308365 F\n0.068125 0.068125 0.316109 F\n0.805750 0.805750 0.066334 F\n0.585803 0.585803 0.290100 F\n0.302858 0.302858 0.569807 F\n0.804571 0.340616 0.071299 F\n0.340616 0.804571 0.071299 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.6833195381900694,
"density_atomic": 0.0907715273229871,
"volume": 308.46677174847144,
"volume_molar": 6.63439399732888,
"formula_full": "Li6 Co6 O5 F11",
"formula_reduced": "Li6Co6O5F11",
"formula_anonymous": "A5B6C6D11",
"energy": -163.1751705,
"energy_per_atom": -5.827684660714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.8301705,
"band_gap": 0.2401000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.9991611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.024000Z",
"spacegroup": 8
},
{
"id": "mp-1217297",
"created_at": "2022-09-04T14:42:44.071922Z",
"structure_string": "Th2 Co1 Si3\n1.0\n2.048851 -3.548713 0.000000\n2.048851 3.548713 0.000000\n0.000000 0.000000 8.120014\nTh Co Si\n2 1 3\ndirect\n0.666667 0.333333 0.239025 Th\n0.666667 0.333333 0.760975 Th\n0.333333 0.666667 0.000000 Co\n0.333333 0.666667 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Co",
"Si"
],
"chemical_system": "Co-Si-Th",
"density": 8.540039987125098,
"density_atomic": 0.050813981270724555,
"volume": 118.07773864506811,
"volume_molar": 11.851346045718197,
"formula_full": "Th2 Co1 Si3",
"formula_reduced": "Th2CoSi3",
"formula_anonymous": "AB2C3",
"energy": -42.32607319,
"energy_per_atom": -7.054345531666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.53907319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1153831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.699000Z",
"spacegroup": 187
},
{
"id": "mp-1389441",
"created_at": "2022-09-04T14:42:44.073028Z",
"structure_string": "Y1 Cu3 O6\n1.0\n1.741099 6.088390 0.000000\n-1.741099 6.088390 0.000000\n0.000000 4.324810 8.704041\nY Cu O\n1 3 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.664383 0.664383 0.674892 Cu\n0.335617 0.335617 0.325108 Cu\n0.801713 0.801713 0.682131 O\n0.447199 0.447199 0.391543 O\n0.126957 0.126957 0.033067 O\n0.873043 0.873043 0.966933 O\n0.552801 0.552801 0.608457 O\n0.198287 0.198287 0.317869 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 3.3793154564464842,
"density_atomic": 0.0541904985103385,
"volume": 184.5341946446976,
"volume_molar": 11.11290895183607,
"formula_full": "Y1 Cu3 O6",
"formula_reduced": "Y(CuO2)3",
"formula_anonymous": "AB3C6",
"energy": -58.12804782,
"energy_per_atom": -5.812804782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.006047820000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0009082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.431000Z",
"spacegroup": 12
},
{
"id": "mp-1215846",
"created_at": "2022-09-04T14:42:44.080132Z",
"structure_string": "Yb1 Zn2 Ga2\n1.0\n4.165443 0.000000 0.000000\n0.000000 4.165443 0.000000\n2.082722 2.082722 5.499809\nYb Zn Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.389735 0.389735 0.220531 Zn\n0.610265 0.610265 0.779469 Zn\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Ga"
],
"chemical_system": "Ga-Yb-Zn",
"density": 7.714019781411898,
"density_atomic": 0.05239622580118915,
"volume": 95.42672059953073,
"volume_molar": 11.493462874311314,
"formula_full": "Yb1 Zn2 Ga2",
"formula_reduced": "Yb(ZnGa)2",
"formula_anonymous": "AB2C2",
"energy": -11.96710512,
"energy_per_atom": -2.393421024,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.96710512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.659000Z",
"spacegroup": 139
},
{
"id": "mp-35205",
"created_at": "2022-09-04T14:42:44.084846Z",
"structure_string": "Li2 Er2 Se4\n1.0\n-2.824731 2.824731 5.766129\n2.824731 -2.824731 5.766129\n2.824731 2.824731 -5.766129\nLi Er Se\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.745703 0.745703 0.000000 Se\n0.495703 0.995703 0.500000 Se\n0.254297 0.254297 0.000000 Se\n0.004297 0.504297 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Er",
"Se"
],
"chemical_system": "Er-Li-Se",
"density": 5.9934320316433025,
"density_atomic": 0.04347018107012141,
"volume": 184.03420006682884,
"volume_molar": 13.85349821820556,
"formula_full": "Li2 Er2 Se4",
"formula_reduced": "LiErSe2",
"formula_anonymous": "ABC2",
"energy": -42.21721998,
"energy_per_atom": -5.2771524975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.32921998,
"band_gap": 1.6045000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.478000Z",
"spacegroup": 141
},
{
"id": "mp-1078848",
"created_at": "2022-09-04T14:42:44.091680Z",
"structure_string": "Os1 Br1 N5 Cl2 O1\n1.0\n-3.178291 3.178291 4.393042\n3.178291 -3.178291 4.393042\n3.178291 3.178291 -4.393042\nOs Br N Cl O\n1 1 5 2 1\ndirect\n0.966849 0.966849 0.000000 Os\n0.258448 0.258448 0.000000 Br\n0.752416 0.752416 0.000000 N\n0.779251 0.779251 0.572693 N\n0.206558 0.206558 0.427307 N\n0.206558 0.779251 0.000000 N\n0.779251 0.206558 0.000000 N\n0.240642 0.740642 0.500000 Cl\n0.740642 0.240642 0.500000 Cl\n0.622086 0.622086 0.000000 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Os",
"Br",
"N",
"Cl",
"O"
],
"chemical_system": "Br-Cl-N-O-Os",
"density": 3.9951992970536305,
"density_atomic": 0.056336172441343195,
"volume": 177.50584689458492,
"volume_molar": 10.689651957221994,
"formula_full": "Os1 Br1 N5 Cl2 O1",
"formula_reduced": "OsBrN5Cl2O",
"formula_anonymous": "ABCD2E5",
"energy": -50.93281255,
"energy_per_atom": -5.093281255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.21281255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8458956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.474000Z",
"spacegroup": 107
},
{
"id": "mp-3776",
"created_at": "2022-09-04T14:42:44.099780Z",
"structure_string": "Er2 Mo2 C3\n1.0\n1.664276 5.822240 0.000000\n-1.664276 5.822240 0.000000\n0.000000 2.115892 5.280780\nEr Mo C\n2 2 3\ndirect\n0.610591 0.610591 0.173071 Er\n0.389409 0.389409 0.826929 Er\n0.843359 0.843359 0.326586 Mo\n0.156641 0.156641 0.673414 Mo\n0.247655 0.247655 0.264520 C\n0.752345 0.752345 0.735480 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.12586684954528,
"density_atomic": 0.06839975015700625,
"volume": 102.33955509971966,
"volume_molar": 8.804331516089823,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy": -61.15227246,
"energy_per_atom": -8.736038922857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.15227246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002573,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.220000Z",
"spacegroup": 12
},
{
"id": "mp-11383",
"created_at": "2022-09-04T14:42:44.102894Z",
"structure_string": "Np2 Fe4\n1.0\n0.000000 3.421353 3.421353\n3.421353 0.000000 3.421353\n3.421353 3.421353 0.000000\nNp Fe\n2 4\ndirect\n0.750000 0.750000 0.750000 Np\n0.500000 0.500000 0.500000 Np\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n0.625000 0.125000 0.125000 Fe\n0.125000 0.125000 0.125000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Np",
"Fe"
],
"chemical_system": "Fe-Np",
"density": 14.45755771758278,
"density_atomic": 0.07490789611218772,
"volume": 80.09836494425029,
"volume_molar": 8.039393805668748,
"formula_full": "Np2 Fe4",
"formula_reduced": "NpFe2",
"formula_anonymous": "AB2",
"energy": -59.04375279,
"energy_per_atom": -9.840625465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.04375279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6303706,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.240000Z",
"spacegroup": 227
},
{
"id": "mp-20735",
"created_at": "2022-09-04T14:42:44.105536Z",
"structure_string": "Ce3 Sn1\n1.0\n4.792227 0.000000 0.000000\n0.000000 4.792227 0.000000\n0.000000 0.000000 4.792227\nCe Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Sn"
],
"chemical_system": "Ce-Sn",
"density": 8.133405930236963,
"density_atomic": 0.036345265546217545,
"volume": 110.05559981157657,
"volume_molar": 16.56925783728859,
"formula_full": "Ce3 Sn1",
"formula_reduced": "Ce3Sn",
"formula_anonymous": "AB3",
"energy": -23.45774582,
"energy_per_atom": -5.864436455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.45774582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5959497,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.294000Z",
"spacegroup": 221
},
{
"id": "mp-1223094",
"created_at": "2022-09-04T14:42:44.185950Z",
"structure_string": "La3 Y1 Ti4 O14\n1.0\n6.373977 -3.686868 0.000000\n6.373977 3.686868 0.000000\n4.241400 0.000000 6.019228\nLa Y Ti O\n3 1 4 14\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.380078 0.380078 0.380078 O\n0.619922 0.619922 0.619922 O\n0.922369 0.325031 0.325031 O\n0.323912 0.926171 0.926171 O\n0.325031 0.325031 0.922369 O\n0.926171 0.926171 0.323912 O\n0.926171 0.323912 0.926171 O\n0.325031 0.922369 0.325031 O\n0.077631 0.674969 0.674969 O\n0.676088 0.073829 0.073829 O\n0.674969 0.674969 0.077631 O\n0.073829 0.073829 0.676088 O\n0.073829 0.676088 0.073829 O\n0.674969 0.077631 0.674969 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"La",
"Y",
"Ti",
"O"
],
"chemical_system": "La-O-Ti-Y",
"density": 5.406403505323022,
"density_atomic": 0.07776493441794725,
"volume": 282.9038584635217,
"volume_molar": 7.744031169156568,
"formula_full": "La3 Y1 Ti4 O14",
"formula_reduced": "La3YTi4O14",
"formula_anonymous": "AB3C4D14",
"energy": -204.35269607,
"energy_per_atom": -9.288758912272728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.73469607,
"band_gap": 2.8755999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.001712,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.640000Z",
"spacegroup": 166
},
{
"id": "mp-38125",
"created_at": "2022-09-04T14:42:44.106466Z",
"structure_string": "Sm4 Cd2 Se8\n1.0\n-4.387223 4.387223 4.583768\n4.387223 -4.387223 4.583768\n4.387223 4.387223 -4.583768\nSm Cd Se\n4 2 8\ndirect\n0.375000 0.760315 0.885315 Sm\n0.239685 0.125000 0.614685 Sm\n0.875000 0.489685 0.114685 Sm\n0.510315 0.625000 0.385315 Sm\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cd\n0.505696 0.244549 0.124091 Se\n0.994549 0.755696 0.624091 Se\n0.755451 0.879542 0.261147 Se\n0.131605 0.370458 0.375909 Se\n0.244304 0.868395 0.238853 Se\n0.629542 0.005451 0.761147 Se\n0.618395 0.494304 0.738853 Se\n0.120458 0.381605 0.875909 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"Se"
],
"chemical_system": "Cd-Se-Sm",
"density": 6.860050379086335,
"density_atomic": 0.0396703467112932,
"volume": 352.90843566069805,
"volume_molar": 15.180459106715194,
"formula_full": "Sm4 Cd2 Se8",
"formula_reduced": "Sm2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -72.35477655999999,
"energy_per_atom": -5.168198325714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.57877656,
"band_gap": 1.0448000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.493000Z",
"spacegroup": 122
},
{
"id": "mp-30481",
"created_at": "2022-09-04T14:42:44.108945Z",
"structure_string": "Ca1 Pt5\n1.0\n2.699378 -4.675460 0.000000\n2.699378 4.675460 0.000000\n0.000000 0.000000 4.431120\nCa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Pt"
],
"chemical_system": "Ca-Pt",
"density": 15.076363948866549,
"density_atomic": 0.05364381961191823,
"volume": 111.84885870183189,
"volume_molar": 11.226159515796375,
"formula_full": "Ca1 Pt5",
"formula_reduced": "CaPt5",
"formula_anonymous": "AB5",
"energy": -35.44116347,
"energy_per_atom": -5.906860578333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.44116347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.69e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.916000Z",
"spacegroup": 191
}
]
}