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=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12121",
"results": [
{
"id": "mp-1218539",
"created_at": "2022-09-04T14:48:15.018468Z",
"structure_string": "Sr2 Ca2 Nb2 Cr2 O12\n1.0\n-5.580322 -0.000020 0.002254\n0.001813 -0.000002 -7.914351\n-0.000021 -5.629143 -0.000002\nSr Ca Nb Cr O\n2 2 2 2 12\ndirect\n0.504141 0.249686 0.975761 Sr\n0.004130 0.749693 0.524276 Sr\n0.492947 0.751802 0.038905 Ca\n0.992924 0.251817 0.461113 Ca\n0.499966 0.499756 0.501044 Nb\n0.999951 0.999732 0.998870 Nb\n0.999995 0.500280 0.998441 Cr\n0.499992 0.000221 0.501471 Cr\n0.790433 0.460859 0.708341 O\n0.290433 0.960863 0.791677 O\n0.220453 0.529851 0.279526 O\n0.720467 0.029860 0.220493 O\n0.720861 0.467705 0.221462 O\n0.220857 0.967706 0.278554 O\n0.292953 0.540129 0.789527 O\n0.792954 0.040135 0.710495 O\n0.556807 0.749490 0.480465 O\n0.056818 0.249480 0.019564 O\n0.421456 0.250466 0.512100 O\n0.921459 0.750472 0.987916 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Nb",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Nb-O-Sr",
"density": 4.923953464424422,
"density_atomic": 0.08044761764858367,
"volume": 248.60897792356332,
"volume_molar": 7.485791296277155,
"formula_full": "Sr2 Ca2 Nb2 Cr2 O12",
"formula_reduced": "SrCaNbCrO6",
"formula_anonymous": "ABCDE6",
"energy": -168.306124,
"energy_per_atom": -8.4153062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.064124,
"band_gap": 2.084,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.522000Z",
"spacegroup": 7
},
{
"id": "mp-1517949",
"created_at": "2022-09-04T14:48:12.546127Z",
"structure_string": "Ba1 Tb1 In1 W1 O6\n1.0\n0.000000 -4.251031 -4.251031\n4.251031 0.000000 -4.251031\n4.251031 -4.251031 0.000000\nBa Tb In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tb\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 W\n0.731055 0.268945 0.268945 O\n0.268945 0.731055 0.731055 O\n0.731055 0.268945 0.731055 O\n0.268945 0.731055 0.268945 O\n0.731055 0.731055 0.268945 O\n0.268945 0.268945 0.731055 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Tb",
"In",
"W",
"O"
],
"chemical_system": "Ba-In-O-Tb-W",
"density": 7.467164544708563,
"density_atomic": 0.06508594102150018,
"volume": 153.64301173269735,
"volume_molar": 9.25259843444635,
"formula_full": "Ba1 Tb1 In1 W1 O6",
"formula_reduced": "BaTbInWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.24165145,
"energy_per_atom": -7.924165145000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.68165145,
"band_gap": 1.6481,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:34.128000Z",
"spacegroup": 216
},
{
"id": "mp-1516530",
"created_at": "2022-09-04T14:48:10.892644Z",
"structure_string": "Ba1 Ce1 Eu1 Hf1 O6\n1.0\n0.000000 -4.317909 -4.317909\n4.317909 -0.000000 -4.317909\n4.317909 -4.317909 0.000000\nBa Ce Eu Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n-0.000000 -0.000000 -0.000000 Ce\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Hf\n0.741566 0.258434 0.258434 O\n0.258434 0.741566 0.741566 O\n0.741566 0.258434 0.741566 O\n0.258434 0.741566 0.258434 O\n0.741566 0.741566 0.258434 O\n0.258434 0.258434 0.741566 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ce",
"Eu",
"Hf",
"O"
],
"chemical_system": "Ba-Ce-Eu-Hf-O",
"density": 7.259480431373407,
"density_atomic": 0.062108286591839125,
"volume": 161.00911084083867,
"volume_molar": 9.696195291259723,
"formula_full": "Ba1 Ce1 Eu1 Hf1 O6",
"formula_reduced": "BaCeEuHfO6",
"formula_anonymous": "ABCDE6",
"energy": -93.80179404,
"energy_per_atom": -9.380179404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.67979404000002,
"band_gap": 0.1745999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.724000Z",
"spacegroup": 216
},
{
"id": "mp-1522734",
"created_at": "2022-09-04T14:48:04.763932Z",
"structure_string": "Na1 Pr1 Y1 Fe1 O6\n1.0\n0.000000 -4.023055 -4.023055\n4.023055 0.000000 -4.023055\n4.023055 -4.023055 0.000000\nNa Pr Y Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Fe\n0.769329 0.230671 0.230671 O\n0.230671 0.769329 0.769329 O\n0.769329 0.230671 0.769329 O\n0.230671 0.769329 0.230671 O\n0.769329 0.769329 0.230671 O\n0.230671 0.230671 0.769329 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Pr",
"Y",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O-Pr-Y",
"density": 5.159706703213363,
"density_atomic": 0.07678954504230309,
"volume": 130.2260613015878,
"volume_molar": 7.8423967177855065,
"formula_full": "Na1 Pr1 Y1 Fe1 O6",
"formula_reduced": "NaPrYFeO6",
"formula_anonymous": "ABCDE6",
"energy": -75.19350066,
"energy_per_atom": -7.519350065999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.81550066,
"band_gap": 0.3532000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.262000Z",
"spacegroup": 216
},
{
"id": "mp-1521963",
"created_at": "2022-09-04T14:47:56.777886Z",
"structure_string": "Na1 Ca1 Gd1 W1 O6\n1.0\n-0.000000 -4.183877 -4.183877\n4.183877 -0.000000 -4.183877\n4.183877 -4.183877 -0.000000\nNa Ca Gd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n-0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 W\n0.732228 0.267772 0.267772 O\n0.267772 0.732228 0.732228 O\n0.732228 0.267772 0.732228 O\n0.267772 0.732228 0.267772 O\n0.732228 0.732228 0.267772 O\n0.267772 0.267772 0.732228 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Gd",
"W",
"O"
],
"chemical_system": "Ca-Gd-Na-O-W",
"density": 5.670041923278811,
"density_atomic": 0.06827053074063336,
"volume": 146.47608406606668,
"volume_molar": 8.820995962194466,
"formula_full": "Na1 Ca1 Gd1 W1 O6",
"formula_reduced": "NaCaGdWO6",
"formula_anonymous": "ABCDE6",
"energy": -87.98573513000001,
"energy_per_atom": -8.798573513000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.42573513,
"band_gap": 2.8136,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.995000Z",
"spacegroup": 216
},
{
"id": "mp-1518254",
"created_at": "2022-09-04T14:48:00.603622Z",
"structure_string": "Ba1 Sr1 Sm1 Bi1 O6\n1.0\n0.000000 -4.381053 -4.381053\n4.381053 0.000000 -4.381053\n4.381053 -4.381053 0.000000\nBa Sr Sm Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Bi\n0.758375 0.241625 0.241625 O\n0.241625 0.758375 0.758375 O\n0.758375 0.241625 0.758375 O\n0.241625 0.758375 0.241625 O\n0.758375 0.758375 0.241625 O\n0.241625 0.241625 0.758375 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Sm",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-O-Sm-Sr",
"density": 6.716974652826745,
"density_atomic": 0.05946131137424357,
"volume": 168.17658018103563,
"volume_molar": 10.12783038385623,
"formula_full": "Ba1 Sr1 Sm1 Bi1 O6",
"formula_reduced": "BaSrSmBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.20270326,
"energy_per_atom": -6.920270326000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.08070326,
"band_gap": 1.9687,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.048000Z",
"spacegroup": 216
},
{
"id": "mp-1520978",
"created_at": "2022-09-04T14:48:01.714404Z",
"structure_string": "K1 Sr1 Ca1 Mn1 O6\n1.0\n0.000000 -4.159358 -4.159358\n4.159358 -0.000000 -4.159358\n4.159358 -4.159358 0.000000\nK Sr Ca Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.727041 0.272959 0.272959 O\n0.272959 0.727041 0.727041 O\n0.727041 0.272959 0.727041 O\n0.272959 0.727041 0.272959 O\n0.727041 0.727041 0.272959 O\n0.272959 0.272959 0.727041 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-K-Mn-O-Sr",
"density": 3.666058885774052,
"density_atomic": 0.06948500577811448,
"volume": 143.91594111588424,
"volume_molar": 8.666820550077263,
"formula_full": "K1 Sr1 Ca1 Mn1 O6",
"formula_reduced": "KSrCaMnO6",
"formula_anonymous": "ABCDE6",
"energy": -64.16969765,
"energy_per_atom": -6.416969765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.37969765,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.547000Z",
"spacegroup": 216
},
{
"id": "mp-1521441",
"created_at": "2022-09-04T14:47:58.371749Z",
"structure_string": "Sr1 La1 Cr1 Sn1 O6\n1.0\n0.000000 -4.021421 -4.021421\n4.021421 0.000000 -4.021421\n4.021421 -4.021421 0.000000\nSr La Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753333 0.246667 0.246667 O\n0.246667 0.753333 0.753333 O\n0.753333 0.246667 0.753333 O\n0.246667 0.753333 0.246667 O\n0.753333 0.753333 0.246667 O\n0.246667 0.246667 0.753333 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"La",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-La-O-Sn-Sr",
"density": 6.2969199730913195,
"density_atomic": 0.0768831873940888,
"volume": 130.06744828023162,
"volume_molar": 7.832844818375747,
"formula_full": "Sr1 La1 Cr1 Sn1 O6",
"formula_reduced": "SrLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.04246230999999,
"energy_per_atom": -7.804246230999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.92146231,
"band_gap": 2.0276,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.195000Z",
"spacegroup": 216
},
{
"id": "mp-1522952",
"created_at": "2022-09-04T14:47:58.339537Z",
"structure_string": "Na1 Sr1 Pr1 W1 O6\n1.0\n0.000000 -4.079552 -4.079552\n4.079552 0.000000 -4.079552\n4.079552 -4.079552 -0.000000\nNa Sr Pr W O\n1 1 1 1 6\ndirect\n0.000000 0.000000 -0.000000 Na\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 W\n0.736893 0.263107 0.263107 O\n0.263107 0.736893 0.736893 O\n0.736893 0.263107 0.736893 O\n0.263107 0.736893 0.263107 O\n0.736893 0.736893 0.263107 O\n0.263107 0.263107 0.736893 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Pr",
"W",
"O"
],
"chemical_system": "Na-O-Pr-Sr-W",
"density": 6.49778726570055,
"density_atomic": 0.07364318865559302,
"volume": 135.78988338985405,
"volume_molar": 8.177457915576872,
"formula_full": "Na1 Sr1 Pr1 W1 O6",
"formula_reduced": "NaSrPrWO6",
"formula_anonymous": "ABCDE6",
"energy": -77.68312346,
"energy_per_atom": -7.768312346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.12312346,
"band_gap": 3.1857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.028000Z",
"spacegroup": 216
},
{
"id": "mp-1521817",
"created_at": "2022-09-04T14:47:58.657190Z",
"structure_string": "K4 Ce4 Eu4 W4 O24\n1.0\n8.481485 0.000000 0.000000\n0.000000 8.525595 0.000000\n0.000000 0.000000 8.434420\nK Ce Eu W O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.500000 K\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n-0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.000000 Eu\n-0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.013319 0.220519 0.274186 O\n0.986681 0.779481 0.274186 O\n0.986681 0.220519 0.725814 O\n0.013319 0.779481 0.725814 O\n0.278420 0.014567 0.206151 O\n0.278420 0.985433 0.793849 O\n0.721580 0.985433 0.206151 O\n0.721580 0.014567 0.793849 O\n0.217322 0.269521 0.022083 O\n0.782678 0.269521 0.977917 O\n0.217322 0.730479 0.977917 O\n0.782678 0.730479 0.022083 O\n0.486681 0.279481 0.225814 O\n0.513319 0.720519 0.225814 O\n0.513319 0.279481 0.774186 O\n0.486681 0.720519 0.774186 O\n0.221580 0.485433 0.293849 O\n0.221580 0.514567 0.706151 O\n0.778420 0.514567 0.293849 O\n0.778420 0.485433 0.706151 O\n0.282678 0.230479 0.477917 O\n0.717322 0.230479 0.522083 O\n0.282678 0.769521 0.522083 O\n0.717322 0.769521 0.477917 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Ce",
"Eu",
"W",
"O"
],
"chemical_system": "Ce-Eu-K-O-W",
"density": 6.654400380042138,
"density_atomic": 0.06558555101188217,
"volume": 609.890431396287,
"volume_molar": 9.18211506511391,
"formula_full": "K4 Ce4 Eu4 W4 O24",
"formula_reduced": "KCeEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -355.8565877799999,
"energy_per_atom": -8.896414694499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -321.61658778,
"band_gap": 0.1400000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9188819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.750000Z",
"spacegroup": 48
},
{
"id": "mp-1517910",
"created_at": "2022-09-04T14:47:55.481895Z",
"structure_string": "Sr1 Eu1 Dy1 Mn1 O6\n1.0\n-0.000000 -4.090103 -4.090103\n4.090103 -0.000000 -4.090103\n4.090103 -4.090103 0.000000\nSr Eu Dy Mn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Dy\n0.500000 0.500000 0.500000 Mn\n0.732978 0.267022 0.267022 O\n0.267022 0.732978 0.732978 O\n0.732978 0.267022 0.732978 O\n0.267022 0.732978 0.267022 O\n0.732978 0.732978 0.267022 O\n0.267022 0.267022 0.732978 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Eu",
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Eu-Mn-O-Sr",
"density": 6.710517046124684,
"density_atomic": 0.07307473847116921,
"volume": 136.84619622614707,
"volume_molar": 8.241070561444385,
"formula_full": "Sr1 Eu1 Dy1 Mn1 O6",
"formula_reduced": "SrEuDyMnO6",
"formula_anonymous": "ABCDE6",
"energy": -84.41561530000001,
"energy_per_atom": -8.441561530000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.6256153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9952822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.778000Z",
"spacegroup": 216
},
{
"id": "mp-1522610",
"created_at": "2022-09-04T14:47:56.300598Z",
"structure_string": "K1 Pr1 Mn1 W1 O6\n1.0\n0.000000 -4.063108 -4.063108\n4.063108 0.000000 -4.063108\n4.063108 -4.063108 -0.000000\nK Pr Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738753 0.261247 0.261247 O\n0.261247 0.738753 0.738753 O\n0.738753 0.261247 0.738753 O\n0.261247 0.738753 0.261247 O\n0.738753 0.738753 0.261247 O\n0.261247 0.261247 0.738753 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Pr",
"Mn",
"W",
"O"
],
"chemical_system": "K-Mn-O-Pr-W",
"density": 6.371856722207197,
"density_atomic": 0.07454094691571263,
"volume": 134.1544535422595,
"volume_molar": 8.078970028123672,
"formula_full": "K1 Pr1 Mn1 W1 O6",
"formula_reduced": "KPrMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.84600995999998,
"energy_per_atom": -8.284600995999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.61800996,
"band_gap": 1.3222999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.313000Z",
"spacegroup": 216
}
]
}