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=-chemical_system&page=12127",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12125",
"results": [
{
"id": "mp-556094",
"created_at": "2022-09-04T14:39:12.805163Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n2.035271 -7.085201 0.000000\n2.035271 7.085201 0.000000\n0.000000 0.000000 8.704502\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.708947 0.291053 0.750000 Bi\n0.291053 0.708947 0.250000 Bi\n0.082711 0.917289 0.750000 S\n0.917289 0.082711 0.250000 S\n0.340673 0.659327 0.562402 Cl\n0.659327 0.340673 0.437598 Cl\n0.659327 0.340673 0.062402 Cl\n0.340673 0.659327 0.937598 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"S",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-S",
"density": 5.553841211740978,
"density_atomic": 0.03983379235670673,
"volume": 251.0431321841321,
"volume_molar": 15.118170788441299,
"formula_full": "Ag2 Bi2 S2 Cl4",
"formula_reduced": "AgBiSCl2",
"formula_anonymous": "ABCD2",
"energy": -38.58724502,
"energy_per_atom": -3.858724502,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.12524502,
"band_gap": 1.0752000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0076095,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.177000Z",
"spacegroup": 63
},
{
"id": "mp-559071",
"created_at": "2022-09-04T14:40:05.411295Z",
"structure_string": "Ag8 Bi8 S12 Cl8\n1.0\n-7.317419 0.000000 0.000000\n0.365834 11.174938 0.000000\n-0.067920 -2.940676 -11.035463\nAg Bi S Cl\n8 8 12 8\ndirect\n0.513642 0.709712 0.300421 Ag\n0.983156 0.309268 0.204361 Ag\n0.254817 0.505414 0.352074 Ag\n0.745183 0.494586 0.647926 Ag\n0.255879 0.494460 0.851982 Ag\n0.744121 0.505540 0.148018 Ag\n0.016844 0.690732 0.795639 Ag\n0.486358 0.290288 0.699579 Ag\n0.926682 0.798700 0.487106 Bi\n0.109881 0.797952 0.158105 Bi\n0.388313 0.205481 0.015672 Bi\n0.611687 0.794519 0.984328 Bi\n0.890119 0.202048 0.841895 Bi\n0.073318 0.201300 0.512894 Bi\n0.572902 0.200328 0.340331 Bi\n0.427098 0.799672 0.659669 Bi\n0.992994 0.366851 0.717983 S\n0.381233 0.340643 0.513948 S\n0.097401 0.346972 0.013404 S\n0.007006 0.633149 0.282017 S\n0.403867 0.654917 0.089049 S\n0.874969 0.343420 0.414810 S\n0.494058 0.369202 0.220776 S\n0.596133 0.345083 0.910951 S\n0.505942 0.630798 0.779224 S\n0.902599 0.653028 0.986596 S\n0.618767 0.659357 0.486052 S\n0.125031 0.656580 0.585190 S\n0.786758 0.894784 0.763432 Cl\n0.722161 0.093131 0.567226 Cl\n0.213242 0.105216 0.236568 Cl\n0.736597 0.101858 0.059538 Cl\n0.234692 0.095600 0.739025 Cl\n0.263403 0.898142 0.940462 Cl\n0.765308 0.904400 0.260975 Cl\n0.277839 0.906869 0.432774 Cl\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"S",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-S",
"density": 5.894385992000153,
"density_atomic": 0.03989412055980856,
"volume": 902.3886100216055,
"volume_molar": 15.095308971585707,
"formula_full": "Ag8 Bi8 S12 Cl8",
"formula_reduced": "Ag2Bi2S3Cl2",
"formula_anonymous": "A2B2C2D3",
"energy": -145.23970059,
"energy_per_atom": -4.0344361275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.29170059,
"band_gap": 1.6367999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.707000Z",
"spacegroup": 2
},
{
"id": "mp-1110810",
"created_at": "2022-09-04T14:47:21.767208Z",
"structure_string": "Rb2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.438895 5.438895\n5.438895 0.000000 5.438895\n5.438895 5.438895 0.000000\nRb Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750025 0.249975 0.249975 Cl\n0.249975 0.249975 0.750025 Cl\n0.249975 0.750025 0.750025 Cl\n0.249975 0.750025 0.249975 Cl\n0.750025 0.249975 0.750025 Cl\n0.750025 0.750025 0.249975 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-Rb",
"density": 3.614902443591999,
"density_atomic": 0.031076920752714305,
"volume": 321.78220228355747,
"volume_molar": 19.378177162143768,
"formula_full": "Rb2 Ag1 Bi1 Cl6",
"formula_reduced": "Rb2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.43530701,
"energy_per_atom": -3.6435307010000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.75130701,
"band_gap": 2.06,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006596,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.493000Z",
"spacegroup": 225
},
{
"id": "mp-1110920",
"created_at": "2022-09-04T14:42:42.739890Z",
"structure_string": "K2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.415794 5.415794\n5.415794 0.000000 5.415794\n5.415794 5.415794 0.000000\nK Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.749544 0.250456 0.250456 Cl\n0.250456 0.250456 0.749544 Cl\n0.250456 0.749544 0.749544 Cl\n0.250456 0.749544 0.250456 Cl\n0.749544 0.250456 0.749544 Cl\n0.749544 0.749544 0.250456 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-K",
"density": 3.176633353516061,
"density_atomic": 0.031476294063864874,
"volume": 317.69940831376675,
"volume_molar": 19.13230556234218,
"formula_full": "K2 Ag1 Bi1 Cl6",
"formula_reduced": "K2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.30772009,
"energy_per_atom": -3.6307720089999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.62372009,
"band_gap": 2.0583,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.392000Z",
"spacegroup": 225
},
{
"id": "mp-1078258",
"created_at": "2022-09-04T14:40:03.275905Z",
"structure_string": "Cs2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.479071 5.479071\n5.479071 0.000000 5.479071\n5.479071 5.479071 0.000000\nCs Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750887 0.249113 0.249113 Cl\n0.249113 0.249113 0.750887 Cl\n0.249113 0.750887 0.750887 Cl\n0.249113 0.750887 0.249113 Cl\n0.750887 0.249113 0.750887 Cl\n0.750887 0.750887 0.249113 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Bi",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-Cs",
"density": 4.014871228898019,
"density_atomic": 0.03039829460418477,
"volume": 328.9658229255846,
"volume_molar": 19.810784908871053,
"formula_full": "Cs2 Ag1 Bi1 Cl6",
"formula_reduced": "Cs2AgBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.67407423,
"energy_per_atom": -3.667407423,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.99007423,
"band_gap": 1.8663,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.724000Z",
"spacegroup": 225
},
{
"id": "mp-1042455",
"created_at": "2022-09-04T14:41:18.009899Z",
"structure_string": "Ca8 Ag8 Bi8 O40\n1.0\n5.552863 0.000000 0.000000\n0.000000 10.757658 0.000000\n0.000000 0.000000 16.610797\nCa Ag Bi O\n8 8 8 40\ndirect\n0.563055 0.368252 0.552406 Ca\n0.063055 0.131748 0.552406 Ca\n0.063055 0.631748 0.947594 Ca\n0.936945 0.368252 0.052406 Ca\n0.436945 0.131748 0.052406 Ca\n0.936945 0.868252 0.447594 Ca\n0.436945 0.631748 0.447594 Ca\n0.563055 0.868252 0.947594 Ca\n0.991298 0.364202 0.413199 Ag\n0.508702 0.864202 0.586801 Ag\n0.008702 0.635798 0.586801 Ag\n0.491298 0.135798 0.413199 Ag\n0.008702 0.135798 0.913199 Ag\n0.991298 0.864202 0.086801 Ag\n0.508702 0.364202 0.913199 Ag\n0.491298 0.635798 0.086801 Ag\n0.973962 0.844028 0.782571 Bi\n0.026038 0.155972 0.217429 Bi\n0.526038 0.344028 0.217429 Bi\n0.026038 0.655972 0.282571 Bi\n0.473962 0.155972 0.717429 Bi\n0.473962 0.655972 0.782571 Bi\n0.526038 0.844028 0.282571 Bi\n0.973962 0.344028 0.717429 Bi\n0.842558 0.298246 0.289418 O\n0.286846 0.024135 0.938483 O\n0.213154 0.524135 0.061517 O\n0.275801 0.779258 0.858396 O\n0.224199 0.279258 0.141604 O\n0.842558 0.798246 0.210582 O\n0.224199 0.779258 0.358396 O\n0.657442 0.798246 0.710582 O\n0.286846 0.524135 0.561517 O\n0.157442 0.701754 0.710582 O\n0.657442 0.298246 0.789418 O\n0.789040 0.228661 0.464919 O\n0.786846 0.975865 0.561517 O\n0.724199 0.720742 0.358396 O\n0.186322 0.003866 0.147043 O\n0.786846 0.475865 0.938483 O\n0.157442 0.201754 0.789418 O\n0.775801 0.220742 0.641604 O\n0.289040 0.771339 0.035081 O\n0.213154 0.024135 0.438483 O\n0.210960 0.771339 0.535081 O\n0.813678 0.996134 0.852957 O\n0.724199 0.220742 0.141604 O\n0.686322 0.996134 0.352957 O\n0.210960 0.271339 0.964919 O\n0.289040 0.271339 0.464919 O\n0.713154 0.475865 0.438483 O\n0.713154 0.975865 0.061517 O\n0.686322 0.496134 0.147043 O\n0.710960 0.728661 0.535081 O\n0.710960 0.228661 0.964919 O\n0.789040 0.728661 0.035081 O\n0.813678 0.496134 0.647043 O\n0.775801 0.720742 0.858396 O\n0.275801 0.279258 0.641604 O\n0.186322 0.503866 0.352957 O\n0.313678 0.503866 0.852957 O\n0.342558 0.201754 0.289418 O\n0.313678 0.003866 0.647043 O\n0.342558 0.701754 0.210582 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-Ca-O",
"density": 5.849509153919123,
"density_atomic": 0.06449927175182665,
"volume": 992.2592652867818,
"volume_molar": 9.336757759329972,
"formula_full": "Ca8 Ag8 Bi8 O40",
"formula_reduced": "CaAgBiO5",
"formula_anonymous": "ABCD5",
"energy": -354.31288542000004,
"energy_per_atom": -5.536138834687501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -326.83288542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.054136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.424000Z",
"spacegroup": 61
},
{
"id": "mp-1044106",
"created_at": "2022-09-04T14:40:15.290385Z",
"structure_string": "Ca4 Ag4 Bi4 O20\n1.0\n11.072196 0.000000 0.000000\n0.000000 5.884743 0.000000\n0.000000 2.664861 8.556950\nCa Ag Bi O\n4 4 4 20\ndirect\n0.106479 0.521024 0.840949 Ca\n0.893521 0.478976 0.159051 Ca\n0.606479 0.478976 0.659051 Ca\n0.393521 0.521024 0.340949 Ca\n0.371356 0.059598 0.114467 Ag\n0.628644 0.940402 0.885533 Ag\n0.871356 0.940402 0.385533 Ag\n0.128644 0.059598 0.614467 Ag\n0.911744 0.039958 0.839206 Bi\n0.088256 0.960042 0.160794 Bi\n0.588256 0.039958 0.339206 Bi\n0.411744 0.960042 0.660794 Bi\n0.979784 0.853110 0.679729 O\n0.023348 0.303902 0.683019 O\n0.755163 0.229270 0.309007 O\n0.464369 0.776171 0.493737 O\n0.713994 0.762406 0.452730 O\n0.786006 0.762406 0.952730 O\n0.476652 0.303902 0.183019 O\n0.523348 0.696098 0.816981 O\n0.535631 0.223829 0.506263 O\n0.479784 0.146890 0.820271 O\n0.286006 0.237594 0.547270 O\n0.020216 0.146890 0.320271 O\n0.520216 0.853110 0.179729 O\n0.213994 0.237594 0.047270 O\n0.964369 0.223829 0.006263 O\n0.035631 0.776171 0.993737 O\n0.244837 0.770730 0.690993 O\n0.976652 0.696098 0.316981 O\n0.255163 0.770730 0.190993 O\n0.744837 0.229270 0.809007 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ca",
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-Ca-O",
"density": 5.205162973007673,
"density_atomic": 0.05739442614319734,
"volume": 557.5454299370635,
"volume_molar": 10.492553309924109,
"formula_full": "Ca4 Ag4 Bi4 O20",
"formula_reduced": "CaAgBiO5",
"formula_anonymous": "ABCD5",
"energy": -182.20623226,
"energy_per_atom": -5.693944758125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.46623226,
"band_gap": 0.9933,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.945000Z",
"spacegroup": 14
},
{
"id": "mp-1071876",
"created_at": "2022-09-04T14:41:54.275597Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n2.458627 -4.258467 0.000000\n2.458627 4.258467 0.000000\n0.000000 0.000000 8.058034\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Ca",
"density": 7.025107660118207,
"density_atomic": 0.035558728767768666,
"volume": 168.73494098131405,
"volume_molar": 16.935759428662763,
"formula_full": "Ca2 Ag2 Bi2",
"formula_reduced": "CaAgBi",
"formula_anonymous": "ABC",
"energy": -20.53491148,
"energy_per_atom": -3.422485246666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53491148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.700000Z",
"spacegroup": 194
},
{
"id": "mp-983598",
"created_at": "2022-09-04T14:39:47.509248Z",
"structure_string": "Ca2 Ag1 Bi1\n1.0\n0.000000 3.840172 3.840172\n3.840172 0.000000 3.840172\n3.840172 3.840172 0.000000\nCa Ag Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Ca",
"density": 5.8205310526482945,
"density_atomic": 0.03531652510737885,
"volume": 113.26142614082553,
"volume_molar": 17.051906272459874,
"formula_full": "Ca2 Ag1 Bi1",
"formula_reduced": "Ca2AgBi",
"formula_anonymous": "ABC2",
"energy": -13.19300898,
"energy_per_atom": -3.298252245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.19300898,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.205000Z",
"spacegroup": 225
},
{
"id": "mp-568664",
"created_at": "2022-09-04T14:47:19.794421Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n2.453228 -4.249116 0.000000\n2.453228 4.249116 0.000000\n0.000000 0.000000 7.842937\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.022848 Ca\n0.000000 0.000000 0.522848 Ca\n0.333333 0.666667 0.338098 Ag\n0.666667 0.333333 0.838098 Ag\n0.666667 0.333333 0.238724 Bi\n0.333333 0.666667 0.738724 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Bi"
],
"chemical_system": "Ag-Bi-Ca",
"density": 7.2495789820586465,
"density_atomic": 0.03669492699264943,
"volume": 163.5103403040397,
"volume_molar": 16.411371417107137,
"formula_full": "Ca2 Ag2 Bi2",
"formula_reduced": "CaAgBi",
"formula_anonymous": "ABC",
"energy": -20.80873419,
"energy_per_atom": -3.4681223649999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.80873419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.795000Z",
"spacegroup": 186
},
{
"id": "mp-1110811",
"created_at": "2022-09-04T14:43:06.322175Z",
"structure_string": "Rb2 Ag1 Bi1 Br6\n1.0\n0.000000 5.708025 5.708025\n5.708025 0.000000 5.708025\n5.708025 5.708025 0.000000\nRb Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.748433 0.251567 0.251567 Br\n0.251567 0.251567 0.748433 Br\n0.251567 0.748433 0.748433 Br\n0.251567 0.748433 0.251567 Br\n0.748433 0.251567 0.748433 Br\n0.748433 0.748433 0.251567 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br-Rb",
"density": 4.317988406153579,
"density_atomic": 0.02688514633239376,
"volume": 371.95259703500506,
"volume_molar": 22.399508953923586,
"formula_full": "Rb2 Ag1 Bi1 Br6",
"formula_reduced": "Rb2AgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.64642554,
"energy_per_atom": -3.2646425540000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.442425539999995,
"band_gap": 1.582,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.023000Z",
"spacegroup": 225
},
{
"id": "mp-1110921",
"created_at": "2022-09-04T14:46:38.397391Z",
"structure_string": "K2 Ag1 Bi1 Br6\n1.0\n0.000000 5.686657 5.686657\n5.686657 0.000000 5.686657\n5.686657 5.686657 0.000000\nK Ag Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.748040 0.251960 0.251960 Br\n0.251960 0.251960 0.748040 Br\n0.251960 0.748040 0.748040 Br\n0.251960 0.748040 0.251960 Br\n0.748040 0.251960 0.748040 Br\n0.748040 0.748040 0.251960 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br-K",
"density": 3.948139760156324,
"density_atomic": 0.02718935484981128,
"volume": 367.79099964813656,
"volume_molar": 22.148891701421885,
"formula_full": "K2 Ag1 Bi1 Br6",
"formula_reduced": "K2AgBiBr6",
"formula_anonymous": "ABC2D6",
"energy": -32.49838164,
"energy_per_atom": -3.249838164,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.29438164,
"band_gap": 1.5765,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.787000Z",
"spacegroup": 225
}
]
}