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=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=17",
"results": [
{
"id": "mp-558796",
"created_at": "2022-09-04T14:41:56.700204Z",
"structure_string": "Ag1 Bi6 S9\n1.0\n2.046519 6.888481 0.000000\n-2.046519 6.888481 0.000000\n0.000000 2.413466 14.883358\nAg Bi S\n1 6 9\ndirect\n0.500000 0.500000 0.500000 Ag\n0.852995 0.852995 0.064220 Bi\n0.558745 0.558745 0.190352 Bi\n0.147005 0.147005 0.935780 Bi\n0.749861 0.749861 0.617321 Bi\n0.250139 0.250139 0.382679 Bi\n0.441255 0.441255 0.809648 Bi\n0.208680 0.208680 0.114573 S\n0.614782 0.614782 0.352683 S\n0.921475 0.921475 0.226015 S\n0.385218 0.385218 0.647317 S\n0.791320 0.791320 0.885427 S\n0.856562 0.856562 0.457727 S\n0.078525 0.078525 0.773985 S\n0.500000 0.500000 0.000000 S\n0.143438 0.143438 0.542273 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 6.530571606068036,
"density_atomic": 0.03812850813479819,
"volume": 419.63351787681177,
"volume_molar": 15.794325701675858,
"formula_full": "Ag1 Bi6 S9",
"formula_reduced": "Ag(Bi2S3)3",
"formula_anonymous": "AB6C9",
"energy": -72.59021662,
"energy_per_atom": -4.53688853875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.06321662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0508225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.752000Z",
"spacegroup": 12
},
{
"id": "mp-1183335",
"created_at": "2022-09-04T14:41:56.714844Z",
"structure_string": "Ba1 Sr3\n1.0\n-3.073705 3.073705 6.084855\n3.073705 -3.073705 6.084855\n3.073705 3.073705 -6.084855\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Sr"
],
"chemical_system": "Ba-Sr",
"density": 2.8898645125570197,
"density_atomic": 0.017395038697370302,
"volume": 229.95062382958085,
"volume_molar": 34.61987561378865,
"formula_full": "Ba1 Sr3",
"formula_reduced": "BaSr3",
"formula_anonymous": "AB3",
"energy": -6.96105281,
"energy_per_atom": -1.7402632025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.96105281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020244,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.464000Z",
"spacegroup": 139
},
{
"id": "mp-28512",
"created_at": "2022-09-04T14:41:56.721054Z",
"structure_string": "Ba2 Cl4 O12\n1.0\n0.000000 6.006578 6.761297\n3.956067 0.000000 6.761297\n3.956067 6.006578 0.000000\nBa Cl O\n2 4 12\ndirect\n0.752316 0.247684 0.247684 Ba\n0.002316 0.497684 0.497684 Ba\n0.407660 0.633113 0.989966 Cl\n0.969262 0.989966 0.633113 Cl\n0.260034 0.280738 0.842340 Cl\n0.616887 0.842340 0.280738 Cl\n0.214129 0.877235 0.047275 O\n0.861361 0.047275 0.877235 O\n0.202725 0.388639 0.035871 O\n0.372765 0.035871 0.388639 O\n0.322968 0.396636 0.639351 O\n0.641046 0.639351 0.396636 O\n0.723083 0.889946 0.344996 O\n0.041976 0.344996 0.889946 O\n0.905004 0.208024 0.526917 O\n0.360054 0.526917 0.208024 O\n0.853364 0.927032 0.608954 O\n0.610649 0.608954 0.927033 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O",
"density": 3.144340037582114,
"density_atomic": 0.056017243827027385,
"volume": 321.32962584844813,
"volume_molar": 10.75051242898605,
"formula_full": "Ba2 Cl4 O12",
"formula_reduced": "Ba(ClO3)2",
"formula_anonymous": "AB2C6",
"energy": -93.10954134,
"energy_per_atom": -5.172752296666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.86554134,
"band_gap": 5.2826,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.440000Z",
"spacegroup": 43
},
{
"id": "mp-554413",
"created_at": "2022-09-04T14:41:56.727117Z",
"structure_string": "V2 Te2 O7 F2\n1.0\n-4.956463 0.000000 0.000000\n-0.015792 -5.340959 0.000000\n0.176337 2.360947 6.925525\nV Te O F\n2 2 7 2\ndirect\n0.761225 0.345628 0.363570 V\n0.238775 0.654372 0.636430 V\n0.722341 0.314887 0.825143 Te\n0.277659 0.685113 0.174857 Te\n0.131853 0.949714 0.765259 O\n0.075450 0.591208 0.372418 O\n0.868147 0.050286 0.234741 O\n0.477138 0.605855 0.859228 O\n0.522862 0.394145 0.140772 O\n0.924550 0.408792 0.627582 O\n0.000000 0.500000 0.000000 O\n0.438801 0.262906 0.490236 F\n0.561199 0.737094 0.509764 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"V",
"Te",
"O",
"F"
],
"chemical_system": "F-O-Te-V",
"density": 4.592804952712067,
"density_atomic": 0.0709087024491108,
"volume": 183.33433769049347,
"volume_molar": 8.492809136257884,
"formula_full": "V2 Te2 O7 F2",
"formula_reduced": "V2Te2O7F2",
"formula_anonymous": "A2B2C2D7",
"energy": -90.54989929,
"energy_per_atom": -6.965376868461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.41689929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0014714,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.186000Z",
"spacegroup": 2
},
{
"id": "mp-1217887",
"created_at": "2022-09-04T14:41:56.731614Z",
"structure_string": "Ta1 Ti1\n1.0\n1.647183 -2.303194 0.000000\n1.647184 2.303194 0.000000\n0.000000 0.000000 4.659713\nTa Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ti"
],
"chemical_system": "Ta-Ti",
"density": 10.746615063570298,
"density_atomic": 0.05656767481968106,
"volume": 35.35588136467223,
"volume_molar": 10.645904713595854,
"formula_full": "Ta1 Ti1",
"formula_reduced": "TaTi",
"formula_anonymous": "AB",
"energy": -19.63207368,
"energy_per_atom": -9.81603684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.63207368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0591736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.867000Z",
"spacegroup": 65
},
{
"id": "mp-975106",
"created_at": "2022-09-04T14:41:56.753035Z",
"structure_string": "Rb2 Bi2 O5\n1.0\n4.367387 0.000000 0.000000\n0.000000 4.367387 0.000000\n0.000000 0.000000 9.061718\nRb Bi O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.265585 Bi\n0.500000 0.500000 0.734415 Bi\n0.500000 0.000000 0.229447 O\n0.500000 0.000000 0.770553 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.229447 O\n0.000000 0.500000 0.770553 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"O"
],
"chemical_system": "Bi-O-Rb",
"density": 6.4261685347848765,
"density_atomic": 0.052070124072980874,
"volume": 172.84383627328612,
"volume_molar": 11.565443461512476,
"formula_full": "Rb2 Bi2 O5",
"formula_reduced": "Rb2Bi2O5",
"formula_anonymous": "A2B2C5",
"energy": -48.46524044,
"energy_per_atom": -5.385026715555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.03024044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.672000Z",
"spacegroup": 123
},
{
"id": "mp-1183079",
"created_at": "2022-09-04T14:41:57.407159Z",
"structure_string": "Ac2 Mg1 Tl1\n1.0\n0.000000 4.130333 4.130333\n4.130333 0.000000 4.130333\n4.130333 4.130333 0.000000\nAc Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Tl"
],
"chemical_system": "Ac-Mg-Tl",
"density": 8.044264834978934,
"density_atomic": 0.02838407815906757,
"volume": 140.92407643410328,
"volume_molar": 21.216615618979223,
"formula_full": "Ac2 Mg1 Tl1",
"formula_reduced": "Ac2MgTl",
"formula_anonymous": "ABC2",
"energy": -13.04127332,
"energy_per_atom": -3.26031833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.04127332,
"band_gap": 0.2200000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.053361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.678000Z",
"spacegroup": 225
},
{
"id": "mp-1246330",
"created_at": "2022-09-04T14:41:57.449846Z",
"structure_string": "Ta2 Te2 N2\n1.0\n3.573327 0.000000 0.000000\n0.000000 3.573327 0.000000\n0.000000 0.000000 9.632138\nTa Te N\n2 2 2\ndirect\n0.500000 0.000000 0.112849 Ta\n0.000000 0.500000 0.887151 Ta\n0.500000 0.000000 0.703019 Te\n0.000000 0.500000 0.296981 Te\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Te",
"N"
],
"chemical_system": "N-Ta-Te",
"density": 8.709918436576094,
"density_atomic": 0.0487846319075427,
"volume": 122.98955153277126,
"volume_molar": 12.344339855660373,
"formula_full": "Ta2 Te2 N2",
"formula_reduced": "TaTeN",
"formula_anonymous": "ABC",
"energy": -51.85374567000001,
"energy_per_atom": -8.642290945000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.28774567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1402494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.629000Z",
"spacegroup": 129
},
{
"id": "mp-1206614",
"created_at": "2022-09-04T14:41:59.075045Z",
"structure_string": "Dy4 Co4 I2\n1.0\n1.970009 -3.412156 0.000000\n1.970009 3.412156 0.000000\n0.000000 0.000000 16.906585\nDy Co I\n4 4 2\ndirect\n0.000000 0.000000 0.103587 Dy\n0.000000 0.000000 0.896413 Dy\n0.000000 0.000000 0.603587 Dy\n0.000000 0.000000 0.396413 Dy\n0.333333 0.666667 0.501943 Co\n0.666667 0.333333 0.498057 Co\n0.666667 0.333333 0.001943 Co\n0.333333 0.666667 0.998057 Co\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Dy",
"Co",
"I"
],
"chemical_system": "Co-Dy-I",
"density": 8.325232111414516,
"density_atomic": 0.043996387997041524,
"volume": 227.29138584450243,
"volume_molar": 13.687807190910652,
"formula_full": "Dy4 Co4 I2",
"formula_reduced": "Dy2Co2I",
"formula_anonymous": "AB2C2",
"energy": -56.658985650000005,
"energy_per_atom": -5.665898565000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.90098565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3160464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.230000Z",
"spacegroup": 194
},
{
"id": "mp-978293",
"created_at": "2022-09-04T14:41:59.079206Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.283395 2.283395 4.667266\n2.283395 -2.283395 4.667266\n2.283395 2.283395 -4.667266\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 4.778601632633137,
"density_atomic": 0.0410937103370079,
"volume": 97.3384969912952,
"volume_molar": 14.654653256210405,
"formula_full": "Mg3 Pb1",
"formula_reduced": "Mg3Pb",
"formula_anonymous": "AB3",
"energy": -8.65778738,
"energy_per_atom": -2.164446845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.65778738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002112,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.730000Z",
"spacegroup": 139
},
{
"id": "mp-17700",
"created_at": "2022-09-04T14:41:59.110227Z",
"structure_string": "Sn4 W4 O16\n1.0\n5.050964 0.000000 0.000000\n0.000000 5.631957 0.000000\n0.000000 0.000000 12.076370\nSn W O\n4 4 16\ndirect\n0.216330 0.250000 0.500000 Sn\n0.283670 0.250000 0.000000 Sn\n0.783670 0.750000 0.500000 Sn\n0.716330 0.750000 0.000000 Sn\n0.250000 0.631255 0.750000 W\n0.250000 0.868745 0.250000 W\n0.750000 0.368745 0.250000 W\n0.750000 0.131255 0.750000 W\n0.101998 0.596222 0.603792 O\n0.101998 0.903778 0.396208 O\n0.398002 0.596222 0.896208 O\n0.398002 0.903778 0.103792 O\n0.898002 0.403778 0.396208 O\n0.898002 0.096222 0.603792 O\n0.601998 0.403778 0.103792 O\n0.601998 0.096222 0.896208 O\n0.001902 0.360810 0.795420 O\n0.001902 0.139190 0.204580 O\n0.498098 0.360810 0.704580 O\n0.498098 0.139190 0.295420 O\n0.998098 0.639190 0.204580 O\n0.998098 0.860810 0.795420 O\n0.501902 0.639190 0.295420 O\n0.501902 0.860810 0.704580 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sn",
"W",
"O"
],
"chemical_system": "O-Sn-W",
"density": 7.087114592527115,
"density_atomic": 0.06986203430037052,
"volume": 343.53422771533457,
"volume_molar": 8.620047813248492,
"formula_full": "Sn4 W4 O16",
"formula_reduced": "SnWO4",
"formula_anonymous": "ABC4",
"energy": -195.52323433000004,
"energy_per_atom": -8.146801430416668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.77923433,
"band_gap": 0.6301999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006306,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:37.878000Z",
"spacegroup": 52
},
{
"id": "mp-1212768",
"created_at": "2022-09-04T14:41:56.075601Z",
"structure_string": "Eu4 Al4 Ge8 O28\n1.0\n6.564036 0.000000 0.000000\n0.000000 7.318653 0.000000\n0.000000 5.888260 11.441807\nEu Al Ge O\n4 4 8 28\ndirect\n0.354258 0.743812 0.526251 Eu\n0.645742 0.256188 0.473749 Eu\n0.854258 0.256188 0.973749 Eu\n0.145742 0.743812 0.026251 Eu\n0.398848 0.711390 0.270533 Al\n0.601152 0.288610 0.729467 Al\n0.898848 0.288610 0.229467 Al\n0.101152 0.711390 0.770533 Al\n0.657490 0.708306 0.050026 Ge\n0.342510 0.291694 0.949974 Ge\n0.157490 0.291694 0.449974 Ge\n0.842510 0.708306 0.550026 Ge\n0.909045 0.804456 0.281324 Ge\n0.090955 0.195544 0.718676 Ge\n0.409045 0.195544 0.218676 Ge\n0.590955 0.804456 0.781324 Ge\n0.376932 0.927491 0.301232 O\n0.623068 0.072509 0.698768 O\n0.876932 0.072509 0.198768 O\n0.123068 0.927491 0.801232 O\n0.824605 0.907494 0.022997 O\n0.175395 0.092506 0.977003 O\n0.324605 0.092506 0.477003 O\n0.675395 0.907494 0.522997 O\n0.614810 0.273057 0.277720 O\n0.385190 0.726943 0.722280 O\n0.114810 0.726943 0.222280 O\n0.885190 0.273057 0.777720 O\n0.997325 0.747529 0.427173 O\n0.002675 0.252471 0.572827 O\n0.497325 0.252471 0.072827 O\n0.502675 0.747529 0.927173 O\n0.447542 0.703379 0.135207 O\n0.552458 0.296621 0.864793 O\n0.947542 0.296621 0.364793 O\n0.052458 0.703379 0.635207 O\n0.839200 0.506220 0.087523 O\n0.160800 0.493780 0.912477 O\n0.339200 0.493780 0.412477 O\n0.660800 0.506220 0.587523 O\n0.681359 0.663551 0.311084 O\n0.318641 0.336449 0.688916 O\n0.181359 0.336449 0.188916 O\n0.818641 0.663551 0.811084 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Eu",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Eu-Ge-O",
"density": 5.271318606500075,
"density_atomic": 0.080049006834928,
"volume": 549.6632842770182,
"volume_molar": 7.523067428454769,
"formula_full": "Eu4 Al4 Ge8 O28",
"formula_reduced": "EuAlGe2O7",
"formula_anonymous": "ABC2D7",
"energy": -349.10067539,
"energy_per_atom": -7.934106258863636,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.86467539,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.804000Z",
"spacegroup": 14
}
]
}