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_magnetic&page=59",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=57",
"results": [
{
"id": "mp-1218353",
"created_at": "2022-09-04T14:39:59.626551Z",
"structure_string": "Sr1 Ca1 U2 O8\n1.0\n12.285710 -1.956112 0.000000\n12.285710 1.956112 0.000000\n11.974261 0.000000 3.373740\nSr Ca U O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.751989 0.751989 0.751989 U\n0.248011 0.248011 0.248011 U\n0.071502 0.071502 0.071502 O\n0.567249 0.567249 0.567249 O\n0.928498 0.928498 0.928498 O\n0.432751 0.432751 0.432751 O\n0.697796 0.697796 0.697796 O\n0.193768 0.193768 0.193768 O\n0.302204 0.302204 0.302204 O\n0.806232 0.806232 0.806232 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"U",
"O"
],
"chemical_system": "Ca-O-Sr-U",
"density": 7.493364369340553,
"density_atomic": 0.07400237585795026,
"volume": 162.15695592036604,
"volume_molar": 8.137766781379666,
"formula_full": "Sr1 Ca1 U2 O8",
"formula_reduced": "SrCaU2O8",
"formula_anonymous": "ABC2D8",
"energy": -110.03159603,
"energy_per_atom": -9.169299669166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.53559603,
"band_gap": 2.0454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0075935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.049000Z",
"spacegroup": 166
},
{
"id": "mp-29174",
"created_at": "2022-09-04T14:39:59.763330Z",
"structure_string": "Si4 Cl8\n1.0\n4.027090 0.000000 0.000000\n0.000000 7.189396 0.000000\n0.000000 0.000000 13.796232\nSi Cl\n4 8\ndirect\n0.475488 0.336228 0.510754 Si\n0.975488 0.163772 0.489246 Si\n0.524512 0.836228 0.989246 Si\n0.024512 0.663772 0.010754 Si\n0.473392 0.551038 0.411774 Cl\n0.973392 0.948962 0.588226 Cl\n0.526608 0.051038 0.088226 Cl\n0.026608 0.448962 0.911774 Cl\n0.473706 0.442415 0.649670 Cl\n0.973706 0.057585 0.350330 Cl\n0.526294 0.942415 0.850330 Cl\n0.026294 0.557585 0.149670 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"Cl"
],
"chemical_system": "Cl-Si",
"density": 1.646124821718993,
"density_atomic": 0.030042565437479386,
"volume": 399.43326494446063,
"volume_molar": 20.0453612143493,
"formula_full": "Si4 Cl8",
"formula_reduced": "SiCl2",
"formula_anonymous": "AB2",
"energy": -53.17823032,
"energy_per_atom": -4.431519193333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.26623031999999,
"band_gap": 2.0151,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.45e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.278000Z",
"spacegroup": 19
},
{
"id": "mp-1078188",
"created_at": "2022-09-04T14:39:58.126128Z",
"structure_string": "Li2 Os2 O6\n1.0\n4.622086 -2.585224 0.000000\n4.622086 2.585224 0.000000\n3.176119 0.000000 4.237845\nLi Os O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.623557 0.876443 0.250000 O\n0.250000 0.623557 0.876443 O\n0.876443 0.250000 0.623557 O\n0.750000 0.376443 0.123557 O\n0.123557 0.750000 0.376443 O\n0.376443 0.123557 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Os",
"O"
],
"chemical_system": "Li-O-Os",
"density": 8.039586981025076,
"density_atomic": 0.09873900242919549,
"volume": 101.27710179339593,
"volume_molar": 6.099049627646787,
"formula_full": "Li2 Os2 O6",
"formula_reduced": "LiOsO3",
"formula_anonymous": "ABC3",
"energy": -73.34649332,
"energy_per_atom": -7.334649332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.22449332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002521,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.526000Z",
"spacegroup": 167
},
{
"id": "mp-1189402",
"created_at": "2022-09-04T14:39:59.496623Z",
"structure_string": "Ta2 Be17\n1.0\n4.164526 -3.677043 0.000000\n4.164526 3.677043 0.000000\n0.917904 0.000000 5.479177\nTa Be\n2 17\ndirect\n0.840507 0.840507 0.840507 Ta\n0.159493 0.159493 0.159493 Ta\n0.599166 0.599166 0.599166 Be\n0.400834 0.400834 0.400834 Be\n0.500000 0.500000 0.000000 Be\n0.000000 0.500000 0.500000 Be\n0.500000 0.000000 0.500000 Be\n0.204682 0.500000 0.795318 Be\n0.795318 0.204682 0.500000 Be\n0.500000 0.795318 0.204682 Be\n0.795318 0.500000 0.204682 Be\n0.204682 0.795318 0.500000 Be\n0.500000 0.204682 0.795318 Be\n0.846549 0.337933 0.846549 Be\n0.846549 0.846549 0.337933 Be\n0.337933 0.846549 0.846549 Be\n0.153451 0.662067 0.153451 Be\n0.153451 0.153451 0.662067 Be\n0.662067 0.153451 0.153451 Be\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ta",
"Be"
],
"chemical_system": "Be-Ta",
"density": 5.097220737965369,
"density_atomic": 0.11322543260633981,
"volume": 167.80682186535657,
"volume_molar": 5.3187173776917005,
"formula_full": "Ta2 Be17",
"formula_reduced": "Ta2Be17",
"formula_anonymous": "A2B17",
"energy": -90.7506292,
"energy_per_atom": -4.776348905263158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.7506292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.57e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.179000Z",
"spacegroup": 166
},
{
"id": "mp-1232292",
"created_at": "2022-09-04T14:39:59.502561Z",
"structure_string": "Mg1 Al2 Ge2\n1.0\n2.063852 -3.574697 0.000000\n2.063852 3.574697 0.000000\n0.000000 0.000000 6.802751\nMg Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.367430 Al\n0.333333 0.666667 0.632570 Al\n0.666667 0.333333 0.757353 Ge\n0.333333 0.666667 0.242647 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Ge"
],
"chemical_system": "Al-Ge-Mg",
"density": 3.698176880876084,
"density_atomic": 0.049812420707570935,
"volume": 100.37657132451014,
"volume_molar": 12.089636830447594,
"formula_full": "Mg1 Al2 Ge2",
"formula_reduced": "Mg(AlGe)2",
"formula_anonymous": "AB2C2",
"energy": -18.7510036,
"energy_per_atom": -3.75020072,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.7510036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.714000Z",
"spacegroup": 164
},
{
"id": "mp-1021295",
"created_at": "2022-09-04T14:39:58.624402Z",
"structure_string": "K2 Mg12 Bi2\n1.0\n5.337800 0.000000 0.000000\n0.000000 6.655034 0.000000\n0.000000 0.000000 12.151865\nK Mg Bi\n2 12 2\ndirect\n0.500000 0.500000 0.668283 K\n0.500000 0.000000 0.168283 K\n0.500000 0.746573 0.916772 Mg\n0.500000 0.253427 0.916772 Mg\n0.000000 0.245124 0.576801 Mg\n0.000000 0.754876 0.576801 Mg\n0.000000 0.500000 0.841783 Mg\n0.000000 0.000000 0.839112 Mg\n0.500000 0.246573 0.416772 Mg\n0.500000 0.753427 0.416772 Mg\n0.000000 0.745124 0.076801 Mg\n0.000000 0.254876 0.076801 Mg\n0.000000 0.000000 0.341783 Mg\n0.000000 0.500000 0.339112 Mg\n0.500000 0.000000 0.663671 Bi\n0.500000 0.500000 0.163671 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"Bi"
],
"chemical_system": "Bi-K-Mg",
"density": 3.030533952358638,
"density_atomic": 0.03706503978281215,
"volume": 431.6736227386849,
"volume_molar": 16.24749574069686,
"formula_full": "K2 Mg12 Bi2",
"formula_reduced": "KMg6Bi",
"formula_anonymous": "ABC6",
"energy": -27.93974753,
"energy_per_atom": -1.746234220625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.93974753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.657000Z",
"spacegroup": 38
},
{
"id": "mp-1227236",
"created_at": "2022-09-04T14:39:58.636663Z",
"structure_string": "Ca1 Cd3 O4\n1.0\n3.396222 0.000000 0.000000\n0.000000 3.396222 0.000000\n0.000000 0.000000 9.545326\nCa Cd O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.747029 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.252971 Cd\n0.000000 0.000000 0.250522 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.749478 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"O"
],
"chemical_system": "Ca-Cd-O",
"density": 6.655927474855181,
"density_atomic": 0.07266195520464558,
"volume": 110.09888156007845,
"volume_molar": 8.28788702841701,
"formula_full": "Ca1 Cd3 O4",
"formula_reduced": "CaCd3O4",
"formula_anonymous": "AB3C4",
"energy": -39.4459217,
"energy_per_atom": -4.9307402125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.6979217,
"band_gap": 0.0459,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.708000Z",
"spacegroup": 123
},
{
"id": "mp-557183",
"created_at": "2022-09-04T14:39:58.296234Z",
"structure_string": "K2 Na2 Zn2 O4\n1.0\n4.898576 3.556049 0.000000\n-4.898576 3.556049 0.000000\n0.000000 3.342950 4.517512\nK Na Zn O\n2 2 2 4\ndirect\n0.123808 0.876192 0.750000 K\n0.876192 0.123808 0.250000 K\n0.229439 0.770561 0.250000 Na\n0.770561 0.229439 0.750000 Na\n0.489684 0.510316 0.750000 Zn\n0.510316 0.489684 0.250000 Zn\n0.573563 0.787955 0.867240 O\n0.212045 0.426437 0.632760 O\n0.787955 0.573563 0.367240 O\n0.426437 0.212045 0.132760 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Zn",
"O"
],
"chemical_system": "K-Na-O-Zn",
"density": 3.365593308167173,
"density_atomic": 0.06353793593901716,
"volume": 157.3862898158647,
"volume_molar": 9.478023909652917,
"formula_full": "K2 Na2 Zn2 O4",
"formula_reduced": "KNaZnO2",
"formula_anonymous": "ABCD2",
"energy": -43.5286862,
"energy_per_atom": -4.352868620000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.7806862,
"band_gap": 1.7792,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.787000Z",
"spacegroup": 15
},
{
"id": "mp-552292",
"created_at": "2022-09-04T14:39:59.516124Z",
"structure_string": "Sm1 Bi2 I1 O4\n1.0\n3.989438 0.000000 0.000000\n0.000000 3.989438 0.000000\n0.000000 0.000000 9.731067\nSm Bi I O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.740751 Bi\n0.500000 0.500000 0.259249 Bi\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.852837 O\n0.500000 0.000000 0.852837 O\n0.000000 0.500000 0.147163 O\n0.500000 0.000000 0.147163 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Sm",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Sm",
"density": 8.140188772695069,
"density_atomic": 0.05165425284839704,
"volume": 154.8759213201602,
"volume_molar": 11.65855748155862,
"formula_full": "Sm1 Bi2 I1 O4",
"formula_reduced": "SmBi2IO4",
"formula_anonymous": "ABC2D4",
"energy": -52.193441830000005,
"energy_per_atom": -6.524180228750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.06644183,
"band_gap": 1.3061000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007634,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.263000Z",
"spacegroup": 123
},
{
"id": "mp-630883",
"created_at": "2022-09-04T14:39:59.524377Z",
"structure_string": "Ni12 Mo4 P6\n1.0\n3.527514 0.000000 0.000000\n0.000000 5.674832 0.000000\n0.000000 0.000000 12.848860\nNi Mo P\n12 4 6\ndirect\n0.500000 0.451868 0.098593 Ni\n0.500000 0.062848 0.000000 Ni\n0.500000 0.362266 0.710012 Ni\n0.000000 0.937152 0.500000 Ni\n0.000000 0.637734 0.789988 Ni\n0.000000 0.637734 0.210012 Ni\n0.500000 0.268626 0.500000 Ni\n0.000000 0.731374 0.000000 Ni\n0.500000 0.451868 0.901407 Ni\n0.500000 0.362266 0.289988 Ni\n0.000000 0.548132 0.598593 Ni\n0.000000 0.548132 0.401407 Ni\n0.500000 0.883828 0.667641 Mo\n0.000000 0.116172 0.832359 Mo\n0.000000 0.116172 0.167641 Mo\n0.500000 0.883828 0.332359 Mo\n0.000000 0.175497 0.362014 P\n0.500000 0.824503 0.862014 P\n0.000000 0.327929 0.000000 P\n0.500000 0.672071 0.500000 P\n0.500000 0.824503 0.137986 P\n0.000000 0.175497 0.637986 P\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"P"
],
"chemical_system": "Mo-Ni-P",
"density": 8.224434585740005,
"density_atomic": 0.08553351675259181,
"volume": 257.20911328404327,
"volume_molar": 7.040679477051338,
"formula_full": "Ni12 Mo4 P6",
"formula_reduced": "Ni6Mo2P3",
"formula_anonymous": "A2B3C6",
"energy": -155.59429132,
"energy_per_atom": -7.0724677872727275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.59429132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038995,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.927000Z",
"spacegroup": 59
},
{
"id": "mp-1203279",
"created_at": "2022-09-04T14:39:58.302894Z",
"structure_string": "Pr32 In8 Sb8 S72\n1.0\n10.282565 0.000000 0.000000\n0.000000 10.282565 0.000000\n0.000000 0.000000 28.187669\nPr In Sb S\n32 8 8 72\ndirect\n0.939540 0.276015 0.161816 Pr\n0.060460 0.723985 0.661816 Pr\n0.776015 0.560460 0.411816 Pr\n0.223985 0.439540 0.911816 Pr\n0.723985 0.060460 0.338184 Pr\n0.276015 0.939540 0.838184 Pr\n0.560460 0.776015 0.588184 Pr\n0.439540 0.223985 0.088184 Pr\n0.989490 0.349347 0.302781 Pr\n0.010510 0.650653 0.802781 Pr\n0.849347 0.510510 0.552781 Pr\n0.150653 0.489490 0.052781 Pr\n0.650653 0.010510 0.197219 Pr\n0.349347 0.989490 0.697219 Pr\n0.510510 0.849347 0.447219 Pr\n0.489490 0.150653 0.947219 Pr\n0.267022 0.498333 0.199264 Pr\n0.732978 0.501667 0.699264 Pr\n0.998333 0.232978 0.449264 Pr\n0.001667 0.767022 0.949264 Pr\n0.501667 0.732978 0.300736 Pr\n0.498333 0.267022 0.800736 Pr\n0.232978 0.998333 0.550736 Pr\n0.767022 0.001667 0.050736 Pr\n0.943462 0.728214 0.157599 Pr\n0.056538 0.271786 0.657599 Pr\n0.228214 0.556538 0.407599 Pr\n0.771786 0.443462 0.907599 Pr\n0.271786 0.056538 0.342401 Pr\n0.728214 0.943462 0.842401 Pr\n0.556538 0.228214 0.592401 Pr\n0.443462 0.771786 0.092401 Pr\n0.702482 0.486373 0.046918 In\n0.297518 0.513627 0.546918 In\n0.986373 0.797518 0.296918 In\n0.013627 0.202482 0.796918 In\n0.513627 0.297518 0.453082 In\n0.486373 0.702482 0.953082 In\n0.797518 0.986373 0.703082 In\n0.202482 0.013627 0.203082 In\n0.140644 0.991075 0.055547 Sb\n0.859356 0.008925 0.555547 Sb\n0.491075 0.359356 0.305547 Sb\n0.508925 0.640644 0.805547 Sb\n0.008925 0.859356 0.444453 Sb\n0.991075 0.140644 0.944453 Sb\n0.359356 0.491075 0.694453 Sb\n0.640644 0.508925 0.194453 Sb\n0.175896 0.989066 0.962281 S\n0.824104 0.010934 0.462281 S\n0.489066 0.324104 0.212281 S\n0.510934 0.675896 0.712281 S\n0.010934 0.824104 0.537719 S\n0.989066 0.175896 0.037719 S\n0.324104 0.489066 0.787719 S\n0.675896 0.510934 0.287719 S\n0.979257 0.812660 0.049947 S\n0.020743 0.187340 0.549947 S\n0.312660 0.520743 0.299947 S\n0.687340 0.479257 0.799947 S\n0.187340 0.020743 0.450053 S\n0.812660 0.979257 0.950053 S\n0.520743 0.312660 0.700053 S\n0.479257 0.687340 0.200053 S\n0.011791 0.005595 0.147783 S\n0.988209 0.994405 0.647783 S\n0.505595 0.488209 0.397783 S\n0.494405 0.511791 0.897783 S\n0.994405 0.988209 0.352217 S\n0.005595 0.011791 0.852217 S\n0.488209 0.505595 0.602217 S\n0.511791 0.494405 0.102217 S\n0.897276 0.496784 0.099226 S\n0.102724 0.503216 0.599226 S\n0.996784 0.602724 0.349226 S\n0.003216 0.397276 0.849226 S\n0.503216 0.102724 0.400774 S\n0.496784 0.897276 0.900774 S\n0.602724 0.996784 0.650774 S\n0.397276 0.003216 0.150774 S\n0.693163 0.693163 0.000000 S\n0.306837 0.306837 0.500000 S\n0.193163 0.806837 0.250000 S\n0.806837 0.193163 0.750000 S\n0.793907 0.802558 0.243985 S\n0.206093 0.197442 0.743985 S\n0.302558 0.706093 0.493985 S\n0.697442 0.293907 0.993985 S\n0.197442 0.206093 0.256015 S\n0.802558 0.793907 0.756015 S\n0.706093 0.302558 0.506015 S\n0.293907 0.697442 0.006015 S\n0.996667 0.500928 0.218286 S\n0.003333 0.499072 0.718286 S\n0.000928 0.503333 0.468286 S\n0.999072 0.496667 0.968286 S\n0.499072 0.003333 0.281714 S\n0.500928 0.996667 0.781714 S\n0.503333 0.000928 0.531714 S\n0.496667 0.999072 0.031714 S\n0.701988 0.824844 0.123533 S\n0.298012 0.175156 0.623533 S\n0.324844 0.798012 0.373533 S\n0.675156 0.201988 0.873533 S\n0.175156 0.298012 0.376467 S\n0.824844 0.701988 0.876467 S\n0.798012 0.324844 0.626467 S\n0.201988 0.675156 0.126467 S\n0.701189 0.189385 0.122175 S\n0.298811 0.810615 0.622175 S\n0.689385 0.798811 0.372175 S\n0.310615 0.201189 0.872175 S\n0.810615 0.298811 0.377825 S\n0.189385 0.701189 0.877825 S\n0.798811 0.689385 0.627825 S\n0.201189 0.310615 0.127825 S\n0.816956 0.183044 0.250000 S\n0.183044 0.816956 0.750000 S\n0.683044 0.683044 0.500000 S\n0.316956 0.316956 0.000000 S\n",
"nsites": 120,
"nelements": 4,
"elements": [
"Pr",
"In",
"Sb",
"S"
],
"chemical_system": "In-Pr-S-Sb",
"density": 4.8531370276449115,
"density_atomic": 0.04026420753870933,
"volume": 2980.3144612900683,
"volume_molar": 14.956560995793636,
"formula_full": "Pr32 In8 Sb8 S72",
"formula_reduced": "Pr4InSbS9",
"formula_anonymous": "ABC4D9",
"energy": -723.62217054,
"energy_per_atom": -6.0301847545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -687.40617054,
"band_gap": 2.1642,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0734818,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.841000Z",
"spacegroup": 96
},
{
"id": "mp-1517138",
"created_at": "2022-09-04T14:40:02.849872Z",
"structure_string": "Sr1 Ca1 In1 Bi1 O6\n1.0\n0.000000 -4.210036 -4.210036\n4.210036 0.000000 -4.210036\n4.210036 -4.210036 0.000000\nSr Ca In Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.751474 0.248526 0.248526 O\n0.248526 0.751474 0.751474 O\n0.751474 0.248526 0.751474 O\n0.248526 0.751474 0.248526 O\n0.751474 0.751474 0.248526 O\n0.248526 0.248526 0.751474 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"In",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-In-O-Sr",
"density": 6.091722136293158,
"density_atomic": 0.06700582763507196,
"volume": 149.24075043833702,
"volume_molar": 8.987488062676972,
"formula_full": "Sr1 Ca1 In1 Bi1 O6",
"formula_reduced": "SrCaInBiO6",
"formula_anonymous": "ABCDE6",
"energy": -61.68031574,
"energy_per_atom": -6.168031574,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.55831574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.535000Z",
"spacegroup": 216
}
]
}