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_full&page=10206",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10204",
"results": [
{
"id": "mp-770771",
"created_at": "2022-09-04T14:39:16.319481Z",
"structure_string": "Sr4 Sc8 O16\n1.0\n3.209391 0.000000 0.000000\n0.000000 9.760365 0.000000\n0.000000 0.000000 11.349468\nSr Sc O\n4 8 16\ndirect\n0.750000 0.245256 0.652126 Sr\n0.250000 0.254744 0.152126 Sr\n0.750000 0.745256 0.847874 Sr\n0.250000 0.754744 0.347874 Sr\n0.750000 0.070904 0.890028 Sc\n0.750000 0.077890 0.393194 Sc\n0.250000 0.422110 0.893194 Sc\n0.250000 0.429096 0.390028 Sc\n0.750000 0.570904 0.609972 Sc\n0.750000 0.577890 0.106806 Sc\n0.250000 0.922110 0.606806 Sc\n0.250000 0.929096 0.109972 Sc\n0.250000 0.020884 0.283281 O\n0.750000 0.073910 0.074016 O\n0.250000 0.116851 0.520279 O\n0.250000 0.208231 0.840193 O\n0.750000 0.291769 0.340193 O\n0.750000 0.383149 0.020279 O\n0.250000 0.426090 0.574016 O\n0.750000 0.479116 0.783281 O\n0.250000 0.520884 0.216719 O\n0.750000 0.573910 0.425984 O\n0.250000 0.616851 0.979721 O\n0.250000 0.708231 0.659807 O\n0.750000 0.791769 0.159807 O\n0.750000 0.883149 0.479721 O\n0.250000 0.926090 0.925984 O\n0.750000 0.979116 0.716719 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"O"
],
"chemical_system": "O-Sc-Sr",
"density": 4.512476367392587,
"density_atomic": 0.07875784736273729,
"volume": 355.5201283122886,
"volume_molar": 7.646400913249511,
"formula_full": "Sr4 Sc8 O16",
"formula_reduced": "SrSc2O4",
"formula_anonymous": "AB2C4",
"energy": -241.25553325,
"energy_per_atom": -8.616269044642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.26353325,
"band_gap": 3.4364,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.368000Z",
"spacegroup": 62
},
{
"id": "mp-17678",
"created_at": "2022-09-04T14:48:29.933695Z",
"structure_string": "Sr4 Sc8 S16\n1.0\n3.804340 0.000000 0.000000\n0.000000 11.726119 0.000000\n0.000000 0.000000 13.744703\nSr Sc S\n4 8 16\ndirect\n0.250000 0.239090 0.333539 Sr\n0.750000 0.760910 0.666461 Sr\n0.250000 0.739090 0.166461 Sr\n0.750000 0.260910 0.833539 Sr\n0.250000 0.559995 0.390522 Sc\n0.750000 0.440005 0.609478 Sc\n0.250000 0.059995 0.109478 Sc\n0.750000 0.940005 0.890522 Sc\n0.250000 0.580766 0.901485 Sc\n0.750000 0.419234 0.098515 Sc\n0.250000 0.080766 0.598515 Sc\n0.750000 0.919234 0.401485 Sc\n0.250000 0.586128 0.575002 S\n0.750000 0.413872 0.424998 S\n0.250000 0.086128 0.924998 S\n0.750000 0.913872 0.075002 S\n0.250000 0.472142 0.215668 S\n0.750000 0.527858 0.784332 S\n0.250000 0.972142 0.284332 S\n0.750000 0.027858 0.715668 S\n0.250000 0.877393 0.526880 S\n0.750000 0.122607 0.473120 S\n0.250000 0.377393 0.973120 S\n0.750000 0.622607 0.026880 S\n0.750000 0.703646 0.339871 S\n0.250000 0.296354 0.660129 S\n0.750000 0.203646 0.160129 S\n0.250000 0.796354 0.839871 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"S"
],
"chemical_system": "S-Sc-Sr",
"density": 3.3125769648088954,
"density_atomic": 0.045665587635575995,
"volume": 613.1531739709064,
"volume_molar": 13.18748114676274,
"formula_full": "Sr4 Sc8 S16",
"formula_reduced": "Sr(ScS2)2",
"formula_anonymous": "AB2C4",
"energy": -187.77492922,
"energy_per_atom": -6.706247472142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.72692922,
"band_gap": 1.3569999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:45.947000Z",
"spacegroup": 62
},
{
"id": "mp-18660",
"created_at": "2022-09-04T14:44:52.491814Z",
"structure_string": "Sr4 Sc8 Te16\n1.0\n4.258945 0.000000 0.000000\n0.000000 13.307240 0.000000\n0.000000 0.000000 15.474038\nSr Sc Te\n4 8 16\ndirect\n0.250000 0.238278 0.326524 Sr\n0.750000 0.761722 0.673476 Sr\n0.250000 0.738278 0.173476 Sr\n0.750000 0.261722 0.826524 Sr\n0.250000 0.553568 0.388112 Sc\n0.750000 0.446432 0.611888 Sc\n0.250000 0.053568 0.111888 Sc\n0.750000 0.946432 0.888112 Sc\n0.750000 0.415848 0.093873 Sc\n0.250000 0.584152 0.906127 Sc\n0.750000 0.915848 0.406127 Sc\n0.250000 0.084152 0.593873 Sc\n0.750000 0.407308 0.426506 Te\n0.250000 0.592692 0.573494 Te\n0.750000 0.907308 0.073494 Te\n0.250000 0.092692 0.926506 Te\n0.750000 0.202004 0.157231 Te\n0.250000 0.797996 0.842769 Te\n0.750000 0.702004 0.342769 Te\n0.250000 0.297996 0.657231 Te\n0.750000 0.124403 0.467686 Te\n0.250000 0.875597 0.532314 Te\n0.750000 0.624403 0.032314 Te\n0.250000 0.375597 0.967686 Te\n0.750000 0.031937 0.714156 Te\n0.250000 0.968063 0.285844 Te\n0.750000 0.531937 0.785844 Te\n0.250000 0.468063 0.214156 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sr",
"Sc",
"Te"
],
"chemical_system": "Sc-Sr-Te",
"density": 5.210276955427882,
"density_atomic": 0.031927458649608755,
"volume": 876.9880593156172,
"volume_molar": 18.861948350135272,
"formula_full": "Sr4 Sc8 Te16",
"formula_reduced": "Sr(ScTe2)2",
"formula_anonymous": "AB2C4",
"energy": -152.831299,
"energy_per_atom": -5.4582606785714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.079299,
"band_gap": 0.4284999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.406000Z",
"spacegroup": 62
},
{
"id": "mp-1218371",
"created_at": "2022-09-04T14:40:17.064918Z",
"structure_string": "Sr4 Se1 S3\n1.0\n2.166979 7.188509 0.000000\n-2.166979 7.188509 0.000000\n0.000000 1.310328 7.396140\nSr Se S\n4 1 3\ndirect\n0.626048 0.626048 0.119509 Sr\n0.373952 0.373952 0.880491 Sr\n0.128356 0.128356 0.629068 Sr\n0.871644 0.871644 0.370932 Sr\n0.500000 0.500000 0.500000 Se\n0.249467 0.249467 0.249509 S\n0.000000 0.000000 0.000000 S\n0.750533 0.750533 0.750491 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 3.7879542985634664,
"density_atomic": 0.03471853127935463,
"volume": 230.42449392890072,
"volume_molar": 17.34560921239507,
"formula_full": "Sr4 Se1 S3",
"formula_reduced": "Sr4SeS3",
"formula_anonymous": "AB3C4",
"energy": -41.579064030000005,
"energy_per_atom": -5.197383003750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.59806403,
"band_gap": 2.3751,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.360000Z",
"spacegroup": 12
},
{
"id": "mp-1218389",
"created_at": "2022-09-04T14:45:05.301133Z",
"structure_string": "Sr4 Se3 S1\n1.0\n14.484520 -2.207445 0.000000\n14.484520 2.207445 0.000000\n14.148105 0.000000 3.808577\nSr Se S\n4 3 1\ndirect\n0.875690 0.875690 0.875690 Sr\n0.124310 0.124310 0.124310 Sr\n0.372872 0.372872 0.372872 Sr\n0.627128 0.627128 0.627128 Sr\n0.251452 0.251452 0.251452 Se\n0.500000 0.500000 0.500000 Se\n0.748548 0.748548 0.748548 Se\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 4.223291822736469,
"density_atomic": 0.032847570357496296,
"volume": 243.5492157542265,
"volume_molar": 18.33359574074452,
"formula_full": "Sr4 Se3 S1",
"formula_reduced": "Sr4Se3S",
"formula_anonymous": "AB3C4",
"energy": -39.90977174,
"energy_per_atom": -4.9887214675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.99077174,
"band_gap": 2.2418,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.362000Z",
"spacegroup": 166
},
{
"id": "mp-555098",
"created_at": "2022-09-04T14:43:38.305472Z",
"structure_string": "Sr4 Se4 O12\n1.0\n4.497798 0.000000 0.000000\n0.000000 5.580901 0.000000\n0.000000 0.000000 12.763398\nSr Se O\n4 4 12\ndirect\n0.522776 0.250000 0.651332 Sr\n0.977224 0.250000 0.151332 Sr\n0.477224 0.750000 0.348668 Sr\n0.022776 0.750000 0.848668 Sr\n0.496925 0.250000 0.921136 Se\n0.996925 0.750000 0.578864 Se\n0.003075 0.250000 0.421136 Se\n0.503075 0.750000 0.078864 Se\n0.971532 0.010634 0.335303 O\n0.971532 0.489366 0.335303 O\n0.121081 0.250000 0.947775 O\n0.378919 0.250000 0.447775 O\n0.028468 0.989366 0.664697 O\n0.528468 0.489366 0.835303 O\n0.621081 0.750000 0.552225 O\n0.528468 0.010634 0.835303 O\n0.878919 0.750000 0.052225 O\n0.028468 0.510634 0.664697 O\n0.471532 0.989366 0.164697 O\n0.471532 0.510634 0.164697 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Se",
"O"
],
"chemical_system": "O-Se-Sr",
"density": 4.448607698156709,
"density_atomic": 0.06242512462490923,
"volume": 320.3838217412142,
"volume_molar": 9.646982358761703,
"formula_full": "Sr4 Se4 O12",
"formula_reduced": "SrSeO3",
"formula_anonymous": "ABC3",
"energy": -126.42988915,
"energy_per_atom": -6.3214944575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.18588915,
"band_gap": 3.8862,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017058,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.702000Z",
"spacegroup": 62
},
{
"id": "mp-4092",
"created_at": "2022-09-04T14:48:14.469174Z",
"structure_string": "Sr4 Se4 O16\n1.0\n7.480980 0.000000 0.000000\n0.000000 6.974880 0.000000\n0.000000 5.247592 7.042330\nSr Se O\n4 4 16\ndirect\n0.655891 0.815487 0.281600 Sr\n0.155891 0.184513 0.218400 Sr\n0.344109 0.184513 0.718400 Sr\n0.844109 0.815487 0.781600 Sr\n0.663751 0.306588 0.306119 Se\n0.163751 0.693412 0.193881 Se\n0.336249 0.693412 0.693881 Se\n0.836249 0.306588 0.806119 Se\n0.714214 0.586787 0.124183 O\n0.214214 0.413213 0.375817 O\n0.285786 0.413213 0.875817 O\n0.785786 0.586787 0.624183 O\n0.606328 0.331426 0.478021 O\n0.106328 0.668574 0.021979 O\n0.393672 0.668574 0.521979 O\n0.893672 0.331426 0.978021 O\n0.994853 0.187011 0.752260 O\n0.494853 0.812989 0.747740 O\n0.005147 0.812989 0.247740 O\n0.505147 0.187011 0.252260 O\n0.662922 0.114835 0.886509 O\n0.162922 0.885165 0.613491 O\n0.337078 0.885165 0.113491 O\n0.837078 0.114835 0.386509 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"Se",
"O"
],
"chemical_system": "O-Se-Sr",
"density": 4.167874155078137,
"density_atomic": 0.06531300050096923,
"volume": 367.461298913129,
"volume_molar": 9.220431941280408,
"formula_full": "Sr4 Se4 O16",
"formula_reduced": "SrSeO4",
"formula_anonymous": "ABC4",
"energy": -151.5370633,
"energy_per_atom": -6.314044304166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.5450633,
"band_gap": 3.5358,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:40.257000Z",
"spacegroup": 14
},
{
"id": "mp-28346",
"created_at": "2022-09-04T14:43:52.283076Z",
"structure_string": "Sr4 Se8 O20\n1.0\n7.047852 0.000000 0.000000\n1.258035 6.999354 0.000000\n1.696471 0.703915 10.993671\nSr Se O\n4 8 20\ndirect\n0.194023 0.356416 0.892127 Sr\n0.805977 0.643584 0.107873 Sr\n0.685771 0.609063 0.756789 Sr\n0.314229 0.390937 0.243211 Sr\n0.583785 0.164522 0.624147 Se\n0.416215 0.835478 0.375853 Se\n0.128461 0.271877 0.568340 Se\n0.871539 0.728123 0.431660 Se\n0.123006 0.832535 0.787623 Se\n0.876994 0.167465 0.212377 Se\n0.304971 0.835620 0.041050 Se\n0.695029 0.164380 0.958950 Se\n0.700814 0.947139 0.664719 O\n0.299186 0.052861 0.335281 O\n0.540429 0.287090 0.754231 O\n0.459571 0.712910 0.245769 O\n0.034132 0.374747 0.700842 O\n0.965868 0.625253 0.299158 O\n0.241650 0.432401 0.477987 O\n0.758350 0.567599 0.522013 O\n0.338424 0.098480 0.624941 O\n0.661576 0.901520 0.375059 O\n0.318379 0.658000 0.768503 O\n0.681621 0.342000 0.231497 O\n0.813192 0.029580 0.094893 O\n0.186808 0.970420 0.905107 O\n0.464752 0.229373 0.027417 O\n0.535248 0.770627 0.972583 O\n0.793717 0.368790 0.943958 O\n0.206283 0.631210 0.056042 O\n0.048574 0.289250 0.131139 O\n0.951426 0.710750 0.868861 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sr",
"Se",
"O"
],
"chemical_system": "O-Se-Sr",
"density": 3.987052690723168,
"density_atomic": 0.05900550175093882,
"volume": 542.3223097919146,
"volume_molar": 10.206066521422613,
"formula_full": "Sr4 Se8 O20",
"formula_reduced": "SrSe2O5",
"formula_anonymous": "AB2C5",
"energy": -195.14154038,
"energy_per_atom": -6.098173136875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.40154038,
"band_gap": 3.2926,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.758000Z",
"spacegroup": 2
},
{
"id": "mp-9710",
"created_at": "2022-09-04T14:40:57.982370Z",
"structure_string": "Sr4 Si10 N16\n1.0\n5.748933 0.000000 0.000000\n0.000000 6.881027 0.000000\n0.000000 0.000000 9.404820\nSr Si N\n4 10 16\ndirect\n0.500000 0.115883 0.868275 Sr\n0.000000 0.884117 0.368275 Sr\n0.500000 0.126543 0.499773 Sr\n0.000000 0.873457 0.999773 Sr\n0.500000 0.598207 0.401891 Si\n0.000000 0.401793 0.901891 Si\n0.500000 0.580208 0.961125 Si\n0.000000 0.419792 0.461125 Si\n0.500000 0.945109 0.177535 Si\n0.000000 0.054891 0.677535 Si\n0.751744 0.332310 0.182897 Si\n0.748256 0.667690 0.682897 Si\n0.248256 0.332310 0.182897 Si\n0.251744 0.667690 0.682897 Si\n0.500000 0.574982 0.771802 N\n0.000000 0.425018 0.271802 N\n0.500000 0.825774 0.338419 N\n0.000000 0.174226 0.838419 N\n0.500000 0.413675 0.273272 N\n0.000000 0.586325 0.773272 N\n0.749412 0.556162 0.510979 N\n0.750588 0.443838 0.010979 N\n0.250588 0.556162 0.510979 N\n0.249412 0.443838 0.010979 N\n0.747806 0.086476 0.171789 N\n0.752194 0.913524 0.671789 N\n0.252194 0.086476 0.171789 N\n0.247806 0.913524 0.671789 N\n0.000000 0.190290 0.521928 N\n0.500000 0.809710 0.021928 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"Si",
"N"
],
"chemical_system": "N-Si-Sr",
"density": 3.818112942837217,
"density_atomic": 0.08063623791516077,
"volume": 372.0411662999914,
"volume_molar": 7.468280906577055,
"formula_full": "Sr4 Si10 N16",
"formula_reduced": "Sr2Si5N8",
"formula_anonymous": "A2B5C8",
"energy": -235.76153932,
"energy_per_atom": -7.858717977333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.98553932,
"band_gap": 3.1972000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000586,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.223000Z",
"spacegroup": 31
},
{
"id": "mp-13051",
"created_at": "2022-09-04T14:41:24.458634Z",
"structure_string": "Sr4 Si2\n1.0\n2.706954 -4.688582 0.000000\n2.706954 4.688582 0.000000\n0.000000 0.000000 7.550654\nSr Si\n4 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.750000 Si\n0.333333 0.666667 0.250000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Si"
],
"chemical_system": "Si-Sr",
"density": 3.523173129815888,
"density_atomic": 0.03130504218644467,
"volume": 191.6624154110882,
"volume_molar": 19.23696740011944,
"formula_full": "Sr4 Si2",
"formula_reduced": "Sr2Si",
"formula_anonymous": "AB2",
"energy": -19.1800617,
"energy_per_atom": -3.19667695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.3220617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.003000Z",
"spacegroup": 194
},
{
"id": "mp-1020612",
"created_at": "2022-09-04T14:39:14.728923Z",
"structure_string": "Sr4 Si2 S16 O56\n1.0\n13.173970 0.000000 0.000000\n0.000000 7.146587 0.000000\n0.000000 5.605814 12.411440\nSr Si S O\n4 2 16 56\ndirect\n0.635163 0.640682 0.159038 Sr\n0.864837 0.640682 0.659038 Sr\n0.364837 0.359318 0.840962 Sr\n0.135163 0.359318 0.340962 Sr\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.529227 0.181035 0.106943 S\n0.970773 0.181035 0.606943 S\n0.470773 0.818965 0.893057 S\n0.029227 0.818965 0.393057 S\n0.416649 0.258747 0.274556 S\n0.083351 0.258747 0.774556 S\n0.583351 0.741253 0.725444 S\n0.916649 0.741253 0.225444 S\n0.714986 0.123855 0.411851 S\n0.785014 0.123855 0.911851 S\n0.285014 0.876145 0.588149 S\n0.214986 0.876145 0.088149 S\n0.644785 0.724247 0.441800 S\n0.855215 0.724247 0.941800 S\n0.355215 0.275753 0.558200 S\n0.144785 0.275753 0.058200 S\n0.474599 0.078801 0.359563 O\n0.025401 0.078801 0.859563 O\n0.525401 0.921199 0.640437 O\n0.974599 0.921199 0.140437 O\n0.603772 0.307384 0.128880 O\n0.896228 0.307384 0.628880 O\n0.396228 0.692616 0.871120 O\n0.103772 0.692616 0.371120 O\n0.618400 0.135189 0.470300 O\n0.881600 0.135189 0.970300 O\n0.381600 0.864811 0.529700 O\n0.118400 0.864811 0.029700 O\n0.418600 0.201371 0.174649 O\n0.081400 0.201371 0.674649 O\n0.581400 0.798629 0.825351 O\n0.918600 0.798629 0.325351 O\n0.548500 0.962818 0.157167 O\n0.951500 0.962818 0.657167 O\n0.451500 0.037182 0.842833 O\n0.048500 0.037182 0.342833 O\n0.310488 0.250767 0.301108 O\n0.189512 0.250767 0.801108 O\n0.689512 0.749233 0.698892 O\n0.810488 0.749233 0.198892 O\n0.469080 0.449736 0.250793 O\n0.030920 0.449736 0.750793 O\n0.530920 0.550264 0.749207 O\n0.969080 0.550264 0.249207 O\n0.797149 0.041287 0.486092 O\n0.702851 0.041287 0.986092 O\n0.202851 0.958713 0.513908 O\n0.297149 0.958713 0.013908 O\n0.730245 0.309081 0.317239 O\n0.769755 0.309081 0.817239 O\n0.269755 0.690919 0.682761 O\n0.230245 0.690919 0.182761 O\n0.488875 0.260197 0.998919 O\n0.011125 0.260197 0.498919 O\n0.511125 0.739803 0.001081 O\n0.988875 0.739803 0.501081 O\n0.685843 0.954732 0.361828 O\n0.814157 0.954732 0.861828 O\n0.314157 0.045268 0.638172 O\n0.185843 0.045268 0.138172 O\n0.555796 0.770688 0.499993 O\n0.944204 0.770688 0.999993 O\n0.444204 0.229312 0.500007 O\n0.055796 0.229312 0.000007 O\n0.611714 0.640734 0.368316 O\n0.888286 0.640734 0.868316 O\n0.388286 0.359266 0.631684 O\n0.111714 0.359266 0.131684 O\n0.723422 0.619031 0.517579 O\n0.776578 0.619031 0.017579 O\n0.276578 0.380969 0.482421 O\n0.223422 0.380969 0.982421 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Sr",
"Si",
"S",
"O"
],
"chemical_system": "O-S-Si-Sr",
"density": 2.580153085183888,
"density_atomic": 0.0667508922774875,
"volume": 1168.5237056569863,
"volume_molar": 9.021813124183565,
"formula_full": "Sr4 Si2 S16 O56",
"formula_reduced": "Sr2Si(S2O7)4",
"formula_anonymous": "AB2C8D28",
"energy": -524.78813362,
"energy_per_atom": -6.7280529951282055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -486.31613362,
"band_gap": 4.9136,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.019000Z",
"spacegroup": 14
},
{
"id": "mp-1104926",
"created_at": "2022-09-04T14:46:07.595470Z",
"structure_string": "Sr4 Si2 S8\n1.0\n6.687479 0.000000 0.000000\n0.000000 6.680482 0.000000\n0.000000 2.569917 7.876471\nSr Si S\n4 2 8\ndirect\n0.250000 0.721824 0.949192 Sr\n0.750000 0.278176 0.050808 Sr\n0.250000 0.767318 0.431746 Sr\n0.750000 0.232682 0.568254 Sr\n0.250000 0.277263 0.799242 Si\n0.750000 0.722737 0.200758 Si\n0.250000 0.109519 0.064047 S\n0.750000 0.890481 0.935953 S\n0.250000 0.086430 0.633539 S\n0.750000 0.913570 0.366461 S\n0.497747 0.487697 0.740163 S\n0.997747 0.512303 0.259837 S\n0.502253 0.512303 0.259837 S\n0.002253 0.487697 0.740163 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Si",
"S"
],
"chemical_system": "S-Si-Sr",
"density": 3.129483861475386,
"density_atomic": 0.039785619782910196,
"volume": 351.885934576132,
"volume_molar": 15.1364759248687,
"formula_full": "Sr4 Si2 S8",
"formula_reduced": "Sr2SiS4",
"formula_anonymous": "AB2C4",
"energy": -76.72599449,
"energy_per_atom": -5.480428177857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.70199449,
"band_gap": 2.8995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.750000Z",
"spacegroup": 11
}
]
}