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=12099",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=12097",
"results": [
{
"id": "mp-1218209",
"created_at": "2022-09-04T14:40:53.605897Z",
"structure_string": "Sr1 Mn1 Fe1 Bi1 O6\n1.0\n4.679921 -2.747807 0.000000\n4.679921 2.747807 0.000000\n3.066551 0.000000 4.477540\nSr Mn Fe Bi O\n1 1 1 1 6\ndirect\n0.249455 0.249455 0.249455 Sr\n0.999237 0.999237 0.999237 Mn\n0.499876 0.499876 0.499876 Fe\n0.751231 0.751231 0.751231 Bi\n0.801681 0.704822 0.245346 O\n0.245346 0.801681 0.704822 O\n0.704822 0.245346 0.801681 O\n0.754635 0.180453 0.313264 O\n0.313264 0.754635 0.180453 O\n0.180453 0.313264 0.754635 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-Mn-O-Sr",
"density": 7.258563870240954,
"density_atomic": 0.086837194201026,
"volume": 115.15802752505157,
"volume_molar": 6.934978513998149,
"formula_full": "Sr1 Mn1 Fe1 Bi1 O6",
"formula_reduced": "SrMnFeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -73.48693431000001,
"energy_per_atom": -7.348693431000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.44093431,
"band_gap": 1.1880000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.924000Z",
"spacegroup": 146
},
{
"id": "mp-1519305",
"created_at": "2022-09-04T14:40:33.202878Z",
"structure_string": "Sr2 Ca2 Eu2 Sb2 O12\n1.0\n5.854062 0.000000 0.000000\n0.000000 5.854062 -0.000000\n0.000000 0.000000 8.525552\nSr Ca Eu Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Sr\n0.500000 -0.000000 0.750000 Sr\n0.500000 -0.000000 0.250000 Ca\n-0.000000 0.500000 0.750000 Ca\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.000000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 -0.000000 0.264808 O\n0.500000 0.500000 0.235192 O\n-0.000000 -0.000000 0.735192 O\n0.500000 0.500000 0.764808 O\n0.343456 0.193800 0.010218 O\n0.656544 0.806200 0.010218 O\n0.806200 0.343456 0.989782 O\n0.193800 0.656544 0.989782 O\n0.843456 0.306200 0.510218 O\n0.156544 0.693800 0.510218 O\n0.306200 0.156544 0.489782 O\n0.693800 0.843456 0.489782 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Sr",
"density": 5.654104049090195,
"density_atomic": 0.06845305776198467,
"volume": 292.17102425929875,
"volume_molar": 8.797475170414359,
"formula_full": "Sr2 Ca2 Eu2 Sb2 O12",
"formula_reduced": "SrCaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -151.79956449,
"energy_per_atom": -7.589978224499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.55556449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.251000Z",
"spacegroup": 118
},
{
"id": "mp-1517370",
"created_at": "2022-09-04T14:40:42.110613Z",
"structure_string": "Ba1 Na1 Tb1 W1 O6\n1.0\n-0.000000 -4.219913 -4.219913\n4.219913 0.000000 -4.219913\n4.219913 -4.219913 -0.000000\nBa Na Tb W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 W\n0.731980 0.268020 0.268020 O\n0.268020 0.731980 0.731980 O\n0.731980 0.268020 0.731980 O\n0.268020 0.731980 0.268020 O\n0.731980 0.731980 0.268020 O\n0.268020 0.268020 0.731980 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Tb",
"W",
"O"
],
"chemical_system": "Ba-Na-O-Tb-W",
"density": 6.618999637085073,
"density_atomic": 0.06653643259751062,
"volume": 150.29360020684575,
"volume_molar": 9.050892157727901,
"formula_full": "Ba1 Na1 Tb1 W1 O6",
"formula_reduced": "BaNaTbWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.71744724,
"energy_per_atom": -7.971744724,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.15744724,
"band_gap": 2.8478000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.781000Z",
"spacegroup": 216
},
{
"id": "mp-1516668",
"created_at": "2022-09-04T14:40:32.504648Z",
"structure_string": "Na1 Sr1 La1 W1 O6\n1.0\n-0.000000 -4.297187 -4.297187\n4.297187 -0.000000 -4.297187\n4.297187 -4.297187 -0.000000\nNa Sr La W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 -0.000000 La\n0.500000 0.500000 0.500000 W\n0.726908 0.273092 0.273092 O\n0.273092 0.726908 0.726908 O\n0.726908 0.273092 0.726908 O\n0.273092 0.726908 0.273092 O\n0.726908 0.726908 0.273092 O\n0.273092 0.273092 0.726908 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"La",
"W",
"O"
],
"chemical_system": "La-Na-O-Sr-W",
"density": 5.538735224297232,
"density_atomic": 0.06301112661138238,
"volume": 158.70212989008186,
"volume_molar": 9.557265651098762,
"formula_full": "Na1 Sr1 La1 W1 O6",
"formula_reduced": "NaSrLaWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.68892506,
"energy_per_atom": -7.868892506,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.12892506,
"band_gap": 2.9531,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.418000Z",
"spacegroup": 216
},
{
"id": "mp-1518354",
"created_at": "2022-09-04T14:40:43.106658Z",
"structure_string": "Ba1 Eu1 Y1 Sb1 O6\n1.0\n-0.000000 -4.231619 -4.231619\n4.231619 -0.000000 -4.231619\n4.231619 -4.231619 -0.000000\nBa Eu Y Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Y\n-0.000000 0.000000 -0.000000 Sb\n0.762861 0.237139 0.237139 O\n0.237139 0.762861 0.762861 O\n0.762861 0.237139 0.762861 O\n0.237139 0.762861 0.237139 O\n0.762861 0.762861 0.237139 O\n0.237139 0.237139 0.762861 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Eu",
"Y",
"Sb",
"O"
],
"chemical_system": "Ba-Eu-O-Sb-Y",
"density": 6.529976509461699,
"density_atomic": 0.06598577608740536,
"volume": 151.54781216415353,
"volume_molar": 9.12642256722573,
"formula_full": "Ba1 Eu1 Y1 Sb1 O6",
"formula_reduced": "BaEuYSbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.74458459,
"energy_per_atom": -8.274458459,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.62258459,
"band_gap": 0.4290000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.070000Z",
"spacegroup": 216
},
{
"id": "mp-1520212",
"created_at": "2022-09-04T14:40:40.511087Z",
"structure_string": "K1 V1 Bi1 W1 O6\n1.0\n-0.000000 -4.016099 -4.016099\n4.016099 0.000000 -4.016099\n4.016099 -4.016099 -0.000000\nK V Bi W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n-0.000000 -0.000000 -0.000000 V\n0.750000 0.750000 0.750000 Bi\n0.500000 0.500000 0.500000 W\n0.743104 0.256896 0.256896 O\n0.256896 0.743104 0.743104 O\n0.743104 0.256896 0.743104 O\n0.256896 0.743104 0.256896 O\n0.743104 0.743104 0.256896 O\n0.256896 0.256896 0.743104 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"V",
"Bi",
"W",
"O"
],
"chemical_system": "Bi-K-O-V-W",
"density": 7.419537962771349,
"density_atomic": 0.07718924169027991,
"volume": 129.55173261223078,
"volume_molar": 7.801787694927362,
"formula_full": "K1 V1 Bi1 W1 O6",
"formula_reduced": "KVBiWO6",
"formula_anonymous": "ABCDE6",
"energy": -76.60886238,
"energy_per_atom": -7.660886238000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.34886238,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7230868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.616000Z",
"spacegroup": 216
},
{
"id": "mp-1519349",
"created_at": "2022-09-04T14:40:40.307466Z",
"structure_string": "K1 Ba1 Ce1 Bi1 O6\n1.0\n0.000000 -4.363983 -4.363983\n4.363983 0.000000 -4.363983\n4.363983 -4.363983 0.000000\nK Ba Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ce\n0.000000 -0.000000 -0.000000 Bi\n0.754664 0.245336 0.245336 O\n0.245336 0.754664 0.754664 O\n0.754664 0.245336 0.754664 O\n0.245336 0.754664 0.245336 O\n0.754664 0.754664 0.245336 O\n0.245336 0.245336 0.754664 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Ce",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Ce-K-O",
"density": 6.209029628658419,
"density_atomic": 0.06016180449083186,
"volume": 166.2184185569752,
"volume_molar": 10.009907134547007,
"formula_full": "K1 Ba1 Ce1 Bi1 O6",
"formula_reduced": "KBaCeBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.72385795,
"energy_per_atom": -6.872385795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.60185795,
"band_gap": 1.5341,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.678000Z",
"spacegroup": 216
},
{
"id": "mp-1516329",
"created_at": "2022-09-04T14:40:36.945476Z",
"structure_string": "Na1 Ca1 Zr1 Sb1 O6\n1.0\n0.000000 -4.061861 -4.061861\n4.061861 0.000000 -4.061861\n4.061861 -4.061861 0.000000\nNa Ca Zr Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sb\n0.756136 0.243864 0.243864 O\n0.243864 0.756136 0.756136 O\n0.756136 0.243864 0.756136 O\n0.243864 0.756136 0.243864 O\n0.756136 0.756136 0.243864 O\n0.243864 0.243864 0.756136 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Zr",
"Sb",
"O"
],
"chemical_system": "Ca-Na-O-Sb-Zr",
"density": 4.609386243665258,
"density_atomic": 0.07460962068398688,
"volume": 134.03097225699008,
"volume_molar": 8.071533811312491,
"formula_full": "Na1 Ca1 Zr1 Sb1 O6",
"formula_reduced": "NaCaZrSbO6",
"formula_anonymous": "ABCDE6",
"energy": -73.50542081,
"energy_per_atom": -7.350542081,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.38342081,
"band_gap": 3.3831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.157000Z",
"spacegroup": 216
},
{
"id": "mp-1521115",
"created_at": "2022-09-04T14:40:36.043873Z",
"structure_string": "Ba1 Sr1 Ce1 Zr1 O6\n1.0\n-0.000000 -4.341544 -4.341544\n4.341544 0.000000 -4.341544\n4.341544 -4.341544 -0.000000\nBa Sr Ce Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 -0.000000 Ce\n0.500000 0.500000 0.500000 Zr\n0.743228 0.256772 0.256772 O\n0.256772 0.743228 0.743228 O\n0.743228 0.256772 0.743228 O\n0.256772 0.743228 0.256772 O\n0.743228 0.743228 0.256772 O\n0.256772 0.256772 0.743228 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"Zr",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-Zr",
"density": 5.6033592989164624,
"density_atomic": 0.06109946168686427,
"volume": 163.667563083455,
"volume_molar": 9.856291027347456,
"formula_full": "Ba1 Sr1 Ce1 Zr1 O6",
"formula_reduced": "BaSrCeZrO6",
"formula_anonymous": "ABCDE6",
"energy": -83.30489928999998,
"energy_per_atom": -8.330489928999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.18289929,
"band_gap": 2.4033,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.989000Z",
"spacegroup": 216
},
{
"id": "mp-1521336",
"created_at": "2022-09-04T14:40:34.082986Z",
"structure_string": "K1 Gd1 Hf1 Ti1 O6\n1.0\n0.000000 -4.008532 -4.008532\n4.008532 -0.000000 -4.008532\n4.008532 -4.008532 -0.000000\nK Gd Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Gd\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743836 0.256164 0.256164 O\n0.256164 0.743836 0.743836 O\n0.743836 0.256164 0.743836 O\n0.256164 0.743836 0.256164 O\n0.743836 0.743836 0.256164 O\n0.256164 0.256164 0.743836 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Gd",
"Hf",
"Ti",
"O"
],
"chemical_system": "Gd-Hf-K-O-Ti",
"density": 6.686220710315721,
"density_atomic": 0.07762720323427376,
"volume": 128.82082032275028,
"volume_molar": 7.757771128022708,
"formula_full": "K1 Gd1 Hf1 Ti1 O6",
"formula_reduced": "KGdHfTiO6",
"formula_anonymous": "ABCDE6",
"energy": -96.68259944,
"energy_per_atom": -9.668259944,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.56059944,
"band_gap": 0.8886000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.713000Z",
"spacegroup": 216
},
{
"id": "mp-1229299",
"created_at": "2022-09-04T14:40:40.820068Z",
"structure_string": "Ba1 La1 Cr1 Mo1 O6\n1.0\n0.000000 4.048606 4.048606\n4.048606 0.000000 4.048606\n4.048606 4.048606 0.000000\nBa La Cr Mo O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Mo\n0.753534 0.753534 0.246466 O\n0.246466 0.753534 0.246466 O\n0.753534 0.246466 0.246466 O\n0.246466 0.246466 0.753534 O\n0.753534 0.246466 0.753534 O\n0.246466 0.753534 0.753534 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Cr",
"Mo",
"O"
],
"chemical_system": "Ba-Cr-La-Mo-O",
"density": 6.507941798561474,
"density_atomic": 0.07534483066471889,
"volume": 132.7231067052171,
"volume_molar": 7.992772306833172,
"formula_full": "Ba1 La1 Cr1 Mo1 O6",
"formula_reduced": "BaLaCrMoO6",
"formula_anonymous": "ABCDE6",
"energy": -84.29056058,
"energy_per_atom": -8.429056058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.96756058,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.995957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.205000Z",
"spacegroup": 216
},
{
"id": "mp-1518824",
"created_at": "2022-09-04T14:40:41.613044Z",
"structure_string": "Na1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.260139 -4.260139\n4.260139 -0.000000 -4.260139\n4.260139 -4.260139 -0.000000\nNa Sr Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Sr\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728723 0.271277 0.271277 O\n0.271277 0.728723 0.728723 O\n0.728723 0.271277 0.728723 O\n0.271277 0.728723 0.271277 O\n0.728723 0.728723 0.271277 O\n0.271277 0.271277 0.728723 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Nd",
"W",
"O"
],
"chemical_system": "Na-Nd-O-Sr-W",
"density": 5.741804060726759,
"density_atomic": 0.06466937977802555,
"volume": 154.6326875922501,
"volume_molar": 9.312198107776355,
"formula_full": "Na1 Sr1 Nd1 W1 O6",
"formula_reduced": "NaSrNdWO6",
"formula_anonymous": "ABCDE6",
"energy": -78.47702401000001,
"energy_per_atom": -7.847702401000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.91702401,
"band_gap": 2.8581000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.917000Z",
"spacegroup": 216
}
]
}