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=created_at&page=10387",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=created_at&page=10385",
"results": [
{
"id": "mp-1245652",
"created_at": "2022-09-04T14:47:06.625368Z",
"structure_string": "V2 Pb4 N6\n1.0\n8.028285 1.313102 0.000000\n-2.877581 4.983552 0.000000\n0.000000 0.000000 5.320214\nV Pb N\n2 4 6\ndirect\n0.000000 0.674072 0.487190 V\n0.000000 0.325928 0.987190 V\n0.276577 0.349131 0.468916 Pb\n0.723423 0.072554 0.468916 Pb\n0.723423 0.650869 0.968916 Pb\n0.276577 0.927446 0.968916 Pb\n0.193222 0.271098 0.903311 N\n0.806778 0.077876 0.903311 N\n0.806778 0.728902 0.403311 N\n0.193222 0.922124 0.403311 N\n0.000000 0.628761 0.840357 N\n0.000000 0.371239 0.340357 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Pb",
"N"
],
"chemical_system": "N-Pb-V",
"density": 7.232911304445737,
"density_atomic": 0.05151072922549127,
"volume": 232.96117489366708,
"volume_molar": 11.69104155687201,
"formula_full": "V2 Pb4 N6",
"formula_reduced": "VPb2N3",
"formula_anonymous": "AB2C3",
"energy": -86.34043525,
"energy_per_atom": -7.1950362708333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.17443525,
"band_gap": 1.4869,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.903000Z",
"spacegroup": 36
},
{
"id": "mp-1204494",
"created_at": "2022-09-04T14:47:06.627064Z",
"structure_string": "Sm6 Ge26 Rh8\n1.0\n9.085240 0.000000 0.000000\n0.000000 9.085240 0.000000\n0.000000 0.000000 9.085240\nSm Ge Rh\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Sm\n0.500000 0.250000 0.000000 Sm\n0.750000 0.000000 0.500000 Sm\n0.000000 0.500000 0.250000 Sm\n0.500000 0.750000 0.000000 Sm\n0.250000 0.000000 0.500000 Sm\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.808924 0.350677 0.500000 Ge\n0.649323 0.500000 0.808924 Ge\n0.500000 0.191076 0.649323 Ge\n0.191076 0.649323 0.500000 Ge\n0.350677 0.500000 0.191076 Ge\n0.500000 0.808924 0.350677 Ge\n0.808924 0.649323 0.500000 Ge\n0.649323 0.500000 0.191076 Ge\n0.191076 0.350677 0.500000 Ge\n0.350677 0.500000 0.808924 Ge\n0.500000 0.808924 0.649323 Ge\n0.500000 0.191076 0.350677 Ge\n0.308924 0.000000 0.850677 Ge\n0.149323 0.308924 0.000000 Ge\n0.000000 0.149323 0.691076 Ge\n0.691076 0.000000 0.149323 Ge\n0.850677 0.691076 0.000000 Ge\n0.000000 0.850677 0.308924 Ge\n0.308924 0.000000 0.149323 Ge\n0.149323 0.691076 0.000000 Ge\n0.691076 0.000000 0.850677 Ge\n0.850677 0.308924 0.000000 Ge\n0.000000 0.149323 0.308924 Ge\n0.000000 0.850677 0.691076 Ge\n0.750000 0.250000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.250000 0.750000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Sm",
"density": 8.002640730388762,
"density_atomic": 0.05333972574408592,
"volume": 749.910117496902,
"volume_molar": 11.290160712286205,
"formula_full": "Sm6 Ge26 Rh8",
"formula_reduced": "Sm3Ge13Rh4",
"formula_anonymous": "A3B4C13",
"energy": -229.31810898000003,
"energy_per_atom": -5.7329527245000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.31810898000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.6e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.714000Z",
"spacegroup": 223
},
{
"id": "mp-849302",
"created_at": "2022-09-04T14:47:06.630344Z",
"structure_string": "Li6 Fe8 F38\n1.0\n5.261902 0.000000 0.000000\n-2.012337 10.360856 0.000000\n-1.158447 -3.343628 11.970045\nLi Fe F\n6 8 38\ndirect\n0.545795 0.839277 0.930636 Li\n0.260404 0.251213 0.513631 Li\n0.397180 0.521069 0.208471 Li\n0.602820 0.478931 0.791529 Li\n0.739596 0.748787 0.486369 Li\n0.454205 0.160723 0.069364 Li\n0.112942 0.935783 0.779622 Fe\n0.121825 0.617054 0.627373 Fe\n0.062027 0.346111 0.949829 Fe\n0.355713 0.892227 0.370720 Fe\n0.644287 0.107773 0.629280 Fe\n0.937973 0.653889 0.050171 Fe\n0.878175 0.382946 0.372627 Fe\n0.887058 0.064217 0.220378 Fe\n0.087201 0.814869 0.429490 F\n0.121786 0.990322 0.313247 F\n0.353635 0.019392 0.920778 F\n0.147065 0.757704 0.201479 F\n0.205507 0.724414 0.988578 F\n0.286138 0.789610 0.789583 F\n0.132755 0.528735 0.088636 F\n0.126631 0.421025 0.511087 F\n0.030192 0.217497 0.361513 F\n0.136225 0.453715 0.307783 F\n0.118248 0.153467 0.873432 F\n0.382166 0.691540 0.564450 F\n0.350161 0.550542 0.706560 F\n0.320556 0.414461 0.883893 F\n0.486066 0.729857 0.334878 F\n0.612427 0.980775 0.297946 F\n0.162743 0.114352 0.149756 F\n0.302251 0.324532 0.060095 F\n0.619854 0.918301 0.502315 F\n0.380146 0.081699 0.497685 F\n0.697749 0.675468 0.939905 F\n0.837257 0.885648 0.850244 F\n0.387573 0.019225 0.702054 F\n0.513934 0.270143 0.665122 F\n0.679444 0.585539 0.116107 F\n0.649839 0.449458 0.293440 F\n0.617834 0.308460 0.435550 F\n0.881752 0.846533 0.126568 F\n0.863775 0.546285 0.692217 F\n0.969808 0.782503 0.638487 F\n0.873369 0.578975 0.488913 F\n0.867245 0.471265 0.911364 F\n0.713862 0.210390 0.210417 F\n0.794493 0.275586 0.011422 F\n0.852935 0.242296 0.798521 F\n0.646365 0.980608 0.079222 F\n0.878214 0.009678 0.686753 F\n0.912799 0.185131 0.570510 F\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.079812073373295,
"density_atomic": 0.07968364050920844,
"volume": 652.5806259315016,
"volume_molar": 7.557562281939247,
"formula_full": "Li6 Fe8 F38",
"formula_reduced": "Li3Fe4F19",
"formula_anonymous": "A3B4C19",
"energy": -272.51609774,
"energy_per_atom": -5.240694187307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.91209774000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.857000Z",
"spacegroup": 2
},
{
"id": "mp-1223798",
"created_at": "2022-09-04T14:47:06.631738Z",
"structure_string": "In1 Ag1 Te2\n1.0\n4.609812 0.000000 0.000000\n0.000000 4.609812 0.000000\n0.000000 0.000000 6.629333\nIn Ag Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.241368 Te\n0.500000 0.000000 0.758632 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-In-Te",
"density": 5.632968518028116,
"density_atomic": 0.0283938136936675,
"volume": 140.87575706295826,
"volume_molar": 21.20934096761747,
"formula_full": "In1 Ag1 Te2",
"formula_reduced": "InAgTe2",
"formula_anonymous": "ABC2",
"energy": -13.83438114,
"energy_per_atom": -3.458595285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.99038114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.209000Z",
"spacegroup": 115
},
{
"id": "mp-1111321",
"created_at": "2022-09-04T14:47:06.633569Z",
"structure_string": "Na2 Ag1 Pd1 F6\n1.0\n0.000000 4.331644 4.331644\n4.331644 0.000000 4.331644\n4.331644 4.331644 0.000000\nNa Ag Pd F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n0.240092 0.240092 0.759908 F\n0.240092 0.759908 0.759908 F\n0.759908 0.759908 0.240092 F\n0.240092 0.759908 0.240092 F\n0.759908 0.240092 0.759908 F\n0.759908 0.240092 0.240092 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Ag",
"Pd",
"F"
],
"chemical_system": "Ag-F-Na-Pd",
"density": 3.823244810157458,
"density_atomic": 0.06151934951122421,
"volume": 162.55048337556786,
"volume_molar": 9.789018914937097,
"formula_full": "Na2 Ag1 Pd1 F6",
"formula_reduced": "Na2AgPdF6",
"formula_anonymous": "ABC2D6",
"energy": -42.038683,
"energy_per_atom": -4.2038683,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.266683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0049794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.700000Z",
"spacegroup": 225
},
{
"id": "mp-39440",
"created_at": "2022-09-04T14:47:06.636657Z",
"structure_string": "Ca4 Mn2 Ir2 O12\n1.0\n5.453669 0.000000 0.004371\n0.000000 5.665964 0.000000\n0.020719 0.000000 7.748263\nCa Mn Ir O\n4 2 2 12\ndirect\n0.014558 0.940175 0.250119 Ca\n0.485442 0.440175 0.249881 Ca\n0.514558 0.559825 0.750119 Ca\n0.985442 0.059825 0.749881 Ca\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.100410 0.465929 0.742669 O\n0.206763 0.192143 0.051000 O\n0.186753 0.208575 0.447089 O\n0.313247 0.708575 0.052911 O\n0.293237 0.692143 0.449000 O\n0.399590 0.965929 0.757331 O\n0.600410 0.034071 0.242669 O\n0.706763 0.307857 0.551000 O\n0.686753 0.291425 0.947089 O\n0.793237 0.807857 0.949000 O\n0.813247 0.791425 0.552911 O\n0.899590 0.534071 0.257331 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Ir",
"O"
],
"chemical_system": "Ca-Ir-Mn-O",
"density": 5.8717693891690885,
"density_atomic": 0.08353413624476966,
"volume": 239.42307778698392,
"volume_molar": 7.209197378128233,
"formula_full": "Ca4 Mn2 Ir2 O12",
"formula_reduced": "Ca2MnIrO6",
"formula_anonymous": "ABC2D6",
"energy": -149.35925031000002,
"energy_per_atom": -7.467962515500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.77925031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.3378266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.763000Z",
"spacegroup": 14
},
{
"id": "mp-775929",
"created_at": "2022-09-04T14:47:06.639506Z",
"structure_string": "La4 Nb4 N4 O10\n1.0\n2.022699 -13.362095 0.000000\n2.022699 13.362095 0.000000\n0.000000 0.000000 5.698801\nLa Nb N O\n4 4 4 10\ndirect\n0.705474 0.294526 0.047497 La\n0.552837 0.447163 0.473969 La\n0.447163 0.552837 0.973969 La\n0.294526 0.705474 0.547497 La\n0.941774 0.058226 0.475238 Nb\n0.838187 0.161813 0.001151 Nb\n0.161813 0.838187 0.501151 Nb\n0.058226 0.941774 0.975238 Nb\n0.546026 0.453974 0.938051 N\n0.653593 0.346407 0.455580 N\n0.453974 0.546026 0.438051 N\n0.346407 0.653593 0.955580 N\n0.985670 0.014330 0.762324 O\n0.909708 0.090292 0.143673 O\n0.779774 0.220226 0.779551 O\n0.882339 0.117661 0.655794 O\n0.796380 0.203620 0.277590 O\n0.220226 0.779774 0.279551 O\n0.203620 0.796380 0.777590 O\n0.117661 0.882339 0.155794 O\n0.090292 0.909708 0.643673 O\n0.014330 0.985670 0.262324 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"La",
"Nb",
"N",
"O"
],
"chemical_system": "La-N-Nb-O",
"density": 6.162797799910611,
"density_atomic": 0.07141729197617167,
"volume": 308.04864468034276,
"volume_molar": 8.432328632692043,
"formula_full": "La4 Nb4 N4 O10",
"formula_reduced": "La2Nb2N2O5",
"formula_anonymous": "A2B2C2D5",
"energy": -205.80904073,
"energy_per_atom": -9.354956396818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.49504073,
"band_gap": 1.4554999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.132000Z",
"spacegroup": 36
},
{
"id": "mp-1422819",
"created_at": "2022-09-04T14:47:06.647313Z",
"structure_string": "Mn1 In1 F3\n1.0\n3.043999 -3.046056 0.000000\n3.043999 3.046056 0.000000\n-0.004114 0.000000 4.306318\nMn In F\n1 1 3\ndirect\n0.511751 0.511751 0.511751 Mn\n0.007280 0.007280 0.007280 In\n0.012520 0.516833 0.516833 F\n0.516833 0.516833 0.012520 F\n0.516833 0.012520 0.516833 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mn",
"In",
"F"
],
"chemical_system": "F-In-Mn",
"density": 4.7149849905591905,
"density_atomic": 0.06261112723353193,
"volume": 79.85800960507555,
"volume_molar": 9.61832349310394,
"formula_full": "Mn1 In1 F3",
"formula_reduced": "MnInF3",
"formula_anonymous": "ABC3",
"energy": -30.17649064,
"energy_per_atom": -6.035298128,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.12249064,
"band_gap": 2.9035,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0002367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.014000Z",
"spacegroup": 221
},
{
"id": "mp-756861",
"created_at": "2022-09-04T14:47:06.654031Z",
"structure_string": "Li1 La4 Ti3 O12\n1.0\n5.586398 0.000000 0.000000\n-0.026971 5.629087 0.000000\n-0.005268 -0.024650 7.912932\nLi La Ti O\n1 4 3 12\ndirect\n0.500000 0.000000 0.500000 Li\n0.004448 0.032848 0.261354 La\n0.489681 0.546606 0.262489 La\n0.510319 0.453394 0.737511 La\n0.995552 0.967152 0.738646 La\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.077911 0.514469 0.751265 O\n0.214521 0.782410 0.043344 O\n0.199575 0.781799 0.459398 O\n0.283701 0.287225 0.043756 O\n0.279366 0.301479 0.459142 O\n0.418307 0.019627 0.762585 O\n0.581693 0.980373 0.237415 O\n0.720634 0.698521 0.540858 O\n0.716299 0.712775 0.956244 O\n0.800425 0.218201 0.540602 O\n0.785479 0.217590 0.956656 O\n0.922089 0.485531 0.248735 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"La",
"Ti",
"O"
],
"chemical_system": "La-Li-O-Ti",
"density": 5.9936852612793485,
"density_atomic": 0.08037532232580002,
"volume": 248.83259464802313,
"volume_molar": 7.492524553232091,
"formula_full": "Li1 La4 Ti3 O12",
"formula_reduced": "LiLa4Ti3O12",
"formula_anonymous": "AB3C4D12",
"energy": -177.69028042,
"energy_per_atom": -8.884514021,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.44628042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8290165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.477000Z",
"spacegroup": 2
},
{
"id": "mp-30041",
"created_at": "2022-09-04T14:47:06.655652Z",
"structure_string": "Rb1 Bi1 S2\n1.0\n7.834357 -2.095226 0.000000\n7.834357 2.095226 0.000000\n7.274008 0.000000 3.585516\nRb Bi S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.733726 0.733726 0.733726 S\n0.266274 0.266274 0.266274 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Bi",
"S"
],
"chemical_system": "Bi-Rb-S",
"density": 5.058445640153108,
"density_atomic": 0.03398162150664773,
"volume": 117.71068661975096,
"volume_molar": 17.72175809450972,
"formula_full": "Rb1 Bi1 S2",
"formula_reduced": "RbBiS2",
"formula_anonymous": "ABC2",
"energy": -17.20615335,
"energy_per_atom": -4.3015383375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.20015335,
"band_gap": 1.339,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064516,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.797000Z",
"spacegroup": 166
},
{
"id": "mp-1224186",
"created_at": "2022-09-04T14:47:06.655743Z",
"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.621675 0.000000 0.000000\n0.000000 5.270909 0.000000\n0.000000 5.280393 7.571561\nHo V Fe O\n4 2 2 12\ndirect\n0.567579 0.731953 0.749139 Ho\n0.067579 0.268047 0.750861 Ho\n0.432421 0.268047 0.250861 Ho\n0.932421 0.731953 0.249139 Ho\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.955997 0.863899 0.748671 O\n0.455997 0.136101 0.751329 O\n0.044003 0.136101 0.251329 O\n0.544003 0.863899 0.248671 O\n0.802059 0.247496 0.943338 O\n0.302059 0.752504 0.556662 O\n0.189501 0.359794 0.443921 O\n0.689501 0.640206 0.056079 O\n0.197941 0.752504 0.056662 O\n0.697941 0.247496 0.443338 O\n0.810499 0.640206 0.556079 O\n0.310499 0.359794 0.943921 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ho",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Ho-O-V",
"density": 7.884589344875999,
"density_atomic": 0.08914424623651353,
"volume": 224.35547827660008,
"volume_molar": 6.75550135229404,
"formula_full": "Ho4 V2 Fe2 O12",
"formula_reduced": "Ho2VFeO6",
"formula_anonymous": "ABC2D6",
"energy": -174.22739265,
"energy_per_atom": -8.7113696325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.07139265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0001996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.086000Z",
"spacegroup": 14
},
{
"id": "mp-1110732",
"created_at": "2022-09-04T14:47:06.659355Z",
"structure_string": "Rb3 Dy1 Cl6\n1.0\n0.000000 5.753262 5.753262\n5.753262 0.000000 5.753262\n5.753262 5.753262 0.000000\nRb Dy Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n0.770975 0.229025 0.229025 Cl\n0.229025 0.229025 0.770975 Cl\n0.229025 0.770975 0.770975 Cl\n0.229025 0.770975 0.229025 Cl\n0.770975 0.229025 0.770975 Cl\n0.770975 0.770975 0.229025 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"Cl"
],
"chemical_system": "Cl-Dy-Rb",
"density": 2.753806887506863,
"density_atomic": 0.026255938617904373,
"volume": 380.8662164216376,
"volume_molar": 22.936299660197253,
"formula_full": "Rb3 Dy1 Cl6",
"formula_reduced": "Rb3DyCl6",
"formula_anonymous": "AB3C6",
"energy": -43.13480518,
"energy_per_atom": -4.313480518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.45080518,
"band_gap": 4.6897,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.545000Z",
"spacegroup": 225
}
]
}