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=-volume&page=10368",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10366",
"results": [
{
"id": "mp-1206995",
"created_at": "2022-09-04T14:48:01.778084Z",
"structure_string": "K2 Ag1\n1.0\n2.996478 -5.190051 0.000000\n2.996478 5.190051 0.000000\n0.000000 0.000000 3.915900\nK Ag\n2 1\ndirect\n0.333333 0.666667 0.500000 K\n0.666667 0.333333 0.500000 K\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 3,
"nelements": 2,
"elements": [
"K",
"Ag"
],
"chemical_system": "Ag-K",
"density": 2.536699425771011,
"density_atomic": 0.024630710934712075,
"volume": 121.79916397671244,
"volume_molar": 24.449723663936126,
"formula_full": "K2 Ag1",
"formula_reduced": "K2Ag",
"formula_anonymous": "AB2",
"energy": -4.519296,
"energy_per_atom": -1.506432,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.519296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.124000Z",
"spacegroup": 191
},
{
"id": "mp-1042504",
"created_at": "2022-09-04T14:46:13.606810Z",
"structure_string": "Ba1 Al1 Cu1 Mo1 O5\n1.0\n3.836619 0.000000 0.000000\n0.000000 3.836619 0.000000\n0.000000 0.000000 8.274550\nBa Al Cu Mo O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.027515 Ba\n0.500000 0.500000 0.443012 Al\n0.000000 0.000000 0.283533 Cu\n0.000000 0.000000 0.690198 Mo\n0.500000 0.000000 0.603605 O\n0.000000 0.500000 0.603605 O\n0.500000 0.000000 0.300866 O\n0.000000 0.500000 0.300866 O\n0.000000 0.000000 0.935073 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Mo",
"O"
],
"chemical_system": "Al-Ba-Cu-Mo-O",
"density": 5.505091991966533,
"density_atomic": 0.07389257114919946,
"volume": 121.79844144044924,
"volume_molar": 8.149859541144473,
"formula_full": "Ba1 Al1 Cu1 Mo1 O5",
"formula_reduced": "BaAlCuMoO5",
"formula_anonymous": "ABCDE5",
"energy": -62.52503387,
"energy_per_atom": -6.947225985555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.88803387,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5459646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.953000Z",
"spacegroup": 99
},
{
"id": "mp-1220800",
"created_at": "2022-09-04T14:40:56.312852Z",
"structure_string": "Na1 V1 Mo1 O6\n1.0\n-0.000705 -3.732507 0.003119\n-4.456015 -1.868651 1.763931\n0.078356 0.006201 -7.354658\nNa V Mo O\n1 1 1 6\ndirect\n0.990671 0.012233 0.014822 Na\n0.191943 0.627464 0.359281 V\n0.824654 0.359694 0.627578 Mo\n0.675387 0.656605 0.856323 O\n0.325149 0.355508 0.138606 O\n0.313303 0.382563 0.555325 O\n0.703173 0.603791 0.434249 O\n0.983031 0.043124 0.694702 O\n0.023880 0.956837 0.320415 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Na",
"V",
"Mo",
"O"
],
"chemical_system": "Mo-Na-O-V",
"density": 3.6247122293714793,
"density_atomic": 0.07389267974471461,
"volume": 121.79826244079004,
"volume_molar": 8.149847563798431,
"formula_full": "Na1 V1 Mo1 O6",
"formula_reduced": "NaVMoO6",
"formula_anonymous": "ABCD6",
"energy": -70.51546646,
"energy_per_atom": -7.835051828888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.49146646,
"band_gap": 2.7363,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.09e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.210000Z",
"spacegroup": 8
},
{
"id": "mp-19716",
"created_at": "2022-09-04T14:42:12.798596Z",
"structure_string": "Sm3 In1 N1\n1.0\n4.956938 0.000000 0.000000\n0.000000 4.956938 0.000000\n0.000000 0.000000 4.956938\nSm In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"In",
"N"
],
"chemical_system": "In-N-Sm",
"density": 7.906153925018056,
"density_atomic": 0.04105154848989747,
"volume": 121.79808518624989,
"volume_molar": 14.669704265801354,
"formula_full": "Sm3 In1 N1",
"formula_reduced": "Sm3InN",
"formula_anonymous": "ABC3",
"energy": -30.18156168,
"energy_per_atom": -6.036312336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.82056168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024962,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.956000Z",
"spacegroup": 221
},
{
"id": "mp-20989",
"created_at": "2022-09-04T14:43:22.319930Z",
"structure_string": "Ba1 Gd1 Fe2 O5\n1.0\n3.995565 0.000000 0.000000\n0.000000 3.995565 0.000000\n0.000000 0.000000 7.629243\nBa Gd Fe O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.266750 Fe\n0.500000 0.500000 0.733250 Fe\n0.500000 0.000000 0.309866 O\n0.500000 0.000000 0.690134 O\n0.000000 0.500000 0.309866 O\n0.000000 0.500000 0.690134 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Gd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Gd-O",
"density": 6.629539575179718,
"density_atomic": 0.07389323178061255,
"volume": 121.79735251965715,
"volume_molar": 8.14978667854129,
"formula_full": "Ba1 Gd1 Fe2 O5",
"formula_reduced": "BaGdFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -80.48788760000001,
"energy_per_atom": -8.943098622222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.5408876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.421000Z",
"spacegroup": 123
},
{
"id": "mp-1184113",
"created_at": "2022-09-04T14:46:03.813299Z",
"structure_string": "Er4\n1.0\n1.757746 -3.044506 0.000000\n1.757746 3.044506 0.000000\n0.000000 0.000000 11.379758\nEr\n4\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.250000 Er\n0.000000 0.000000 0.500000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 9.121423285931561,
"density_atomic": 0.03284157801876396,
"volume": 121.79682711088394,
"volume_molar": 18.33694092457818,
"formula_full": "Er4",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -18.23947504,
"energy_per_atom": -4.55986876,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.23947504,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0156456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.031000Z",
"spacegroup": 194
},
{
"id": "mp-1219010",
"created_at": "2022-09-04T14:40:57.667870Z",
"structure_string": "Sm1 U1 Al4\n1.0\n0.000000 3.934267 3.934267\n3.934267 0.000000 3.934267\n3.934267 3.934267 0.000000\nSm U Al\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Sm\n0.000000 0.000000 0.000000 U\n0.374408 0.374408 0.374408 Al\n0.374408 0.876776 0.374408 Al\n0.876776 0.374408 0.374408 Al\n0.374408 0.374408 0.876776 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"U",
"Al"
],
"chemical_system": "Al-Sm-U",
"density": 6.766826927774748,
"density_atomic": 0.04926401053850481,
"volume": 121.79276381305564,
"volume_molar": 12.224219453860924,
"formula_full": "Sm1 U1 Al4",
"formula_reduced": "SmUAl4",
"formula_anonymous": "ABC4",
"energy": -32.39982321,
"energy_per_atom": -5.3999705350000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.39982321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5663647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.943000Z",
"spacegroup": 216
},
{
"id": "mp-29365",
"created_at": "2022-09-04T14:41:59.017410Z",
"structure_string": "Li5 Bi1 O5\n1.0\n2.136932 5.000207 0.000000\n-2.136932 5.000207 0.000000\n0.000000 2.043958 5.698543\nLi Bi O\n5 1 5\ndirect\n0.701754 0.701754 0.647907 Li\n0.989280 0.989280 0.482534 Li\n0.307141 0.307141 0.845781 Li\n0.682770 0.682770 0.123359 Li\n0.281147 0.281147 0.328642 Li\n0.994658 0.994658 0.983714 Bi\n0.845595 0.845595 0.805199 O\n0.496806 0.496806 0.976132 O\n0.161696 0.161696 0.659612 O\n0.829019 0.829019 0.311299 O\n0.142134 0.142134 0.165821 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 4.413627443517979,
"density_atomic": 0.09032753807397148,
"volume": 121.77903034390049,
"volume_molar": 6.667004203157091,
"formula_full": "Li5 Bi1 O5",
"formula_reduced": "Li5BiO5",
"formula_anonymous": "AB5C5",
"energy": -59.611920000000005,
"energy_per_atom": -5.419265454545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.17692,
"band_gap": 1.7122,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.802000Z",
"spacegroup": 8
},
{
"id": "mp-1006115",
"created_at": "2022-09-04T14:40:04.957238Z",
"structure_string": "Ho3 Pu1\n1.0\n4.956637 0.000000 0.000000\n0.000000 4.956637 0.000000\n0.000000 0.000000 4.956637\nHo Pu\n3 1\ndirect\n0.000000 0.500000 0.500000 Ho\n0.500000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Pu"
],
"chemical_system": "Ho-Pu",
"density": 10.07417119592135,
"density_atomic": 0.03284722217128455,
"volume": 121.77589870892795,
"volume_molar": 18.333790080016662,
"formula_full": "Ho3 Pu1",
"formula_reduced": "Ho3Pu",
"formula_anonymous": "AB3",
"energy": -25.40479312,
"energy_per_atom": -6.35119828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.40479312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1455557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.065000Z",
"spacegroup": 221
},
{
"id": "mp-1233043",
"created_at": "2022-09-04T14:42:28.298684Z",
"structure_string": "La2 Mg1 Cr1 O6\n1.0\n4.823920 -0.007729 2.694368\n1.577681 4.558639 2.694368\n-0.010871 -0.007729 5.525370\nLa Mg Cr O\n2 1 1 6\ndirect\n0.751723 0.751723 0.751723 La\n0.248277 0.248277 0.248277 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Cr\n0.311219 0.764019 0.172805 O\n0.764019 0.172805 0.311219 O\n0.172805 0.311219 0.764019 O\n0.688781 0.235981 0.827195 O\n0.827195 0.688781 0.235981 O\n0.235981 0.827195 0.688781 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mg-O",
"density": 6.1377633536124545,
"density_atomic": 0.08211904420143132,
"volume": 121.77443243823949,
"volume_molar": 7.333427731121882,
"formula_full": "La2 Mg1 Cr1 O6",
"formula_reduced": "La2MgCrO6",
"formula_anonymous": "ABC2D6",
"energy": -82.94066095999997,
"energy_per_atom": -8.294066095999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.81966096,
"band_gap": 1.1380999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9993361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.669000Z",
"spacegroup": 148
},
{
"id": "mp-1226776",
"created_at": "2022-09-04T14:46:07.817981Z",
"structure_string": "Ce2 U1 O6\n1.0\n1.935759 -3.352834 0.000000\n1.935759 3.352834 0.000000\n0.000000 0.000000 9.381270\nCe U O\n2 1 6\ndirect\n0.333333 0.666667 0.666154 Ce\n0.666667 0.333333 0.333846 Ce\n0.000000 0.000000 0.000000 U\n0.000000 0.000000 0.231543 O\n0.333333 0.666667 0.928979 O\n0.666667 0.333333 0.587227 O\n0.666667 0.333333 0.071021 O\n0.000000 0.000000 0.768457 O\n0.333333 0.666667 0.412773 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"U",
"O"
],
"chemical_system": "Ce-O-U",
"density": 8.376150284904279,
"density_atomic": 0.07390733445896726,
"volume": 121.77411167489373,
"volume_molar": 8.148231571446328,
"formula_full": "Ce2 U1 O6",
"formula_reduced": "Ce2UO6",
"formula_anonymous": "AB2C6",
"energy": -88.24321731,
"energy_per_atom": -9.804801923333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.12121731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9968404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.598000Z",
"spacegroup": 164
},
{
"id": "mp-973906",
"created_at": "2022-09-04T14:45:22.730633Z",
"structure_string": "Lu2 Ge4\n1.0\n2.021476 -7.752161 0.000000\n2.021476 7.752161 0.000000\n0.000000 0.000000 3.885367\nLu Ge\n2 4\ndirect\n0.897652 0.102348 0.250000 Lu\n0.102348 0.897652 0.750000 Lu\n0.252531 0.747469 0.250000 Ge\n0.747469 0.252531 0.750000 Ge\n0.556128 0.443872 0.250000 Ge\n0.443872 0.556128 0.750000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Ge"
],
"chemical_system": "Ge-Lu",
"density": 8.733950918906396,
"density_atomic": 0.049271732608981905,
"volume": 121.77367594551039,
"volume_molar": 12.222303623441494,
"formula_full": "Lu2 Ge4",
"formula_reduced": "LuGe2",
"formula_anonymous": "AB2",
"energy": -30.99803847,
"energy_per_atom": -5.166339745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.99803847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026519,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.967000Z",
"spacegroup": 63
}
]
}