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=energy_per_atom&page=10200",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10198",
"results": [
{
"id": "mp-1217587",
"created_at": "2022-09-04T14:39:05.347626Z",
"structure_string": "Tb1 Be1 Cu4\n1.0\n2.535727 -4.392009 0.000000\n2.535727 4.392009 0.000000\n0.000000 0.000000 3.871512\nTb Be Cu\n1 1 4\ndirect\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.000000 Be\n0.000000 0.000000 0.000000 Cu\n0.342362 0.171181 0.500000 Cu\n0.828819 0.171181 0.500000 Cu\n0.828819 0.657638 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Be",
"Cu"
],
"chemical_system": "Be-Cu-Tb",
"density": 8.128497591319627,
"density_atomic": 0.06957847866310334,
"volume": 86.23356122877878,
"volume_molar": 8.655177399263073,
"formula_full": "Tb1 Be1 Cu4",
"formula_reduced": "TbBeCu4",
"formula_anonymous": "ABC4",
"energy": -25.68068372,
"energy_per_atom": -4.280113953333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.68068372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001443,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.844000Z",
"spacegroup": 187
},
{
"id": "mp-30645",
"created_at": "2022-09-04T14:46:27.478945Z",
"structure_string": "Ho2 Ga8 Ni2\n1.0\n2.043448 -7.618233 0.000000\n2.043448 7.618233 0.000000\n0.000000 0.000000 6.617443\nHo Ga Ni\n2 8 2\ndirect\n0.880069 0.119931 0.250000 Ho\n0.119931 0.880069 0.750000 Ho\n0.314792 0.685208 0.551227 Ga\n0.070205 0.929795 0.250000 Ga\n0.500000 0.500000 0.000000 Ga\n0.685208 0.314792 0.448773 Ga\n0.500000 0.500000 0.500000 Ga\n0.685208 0.314792 0.051227 Ga\n0.314792 0.685208 0.948773 Ga\n0.929795 0.070205 0.750000 Ga\n0.775445 0.224555 0.750000 Ni\n0.224555 0.775445 0.250000 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ho-Ni",
"density": 8.10010593373495,
"density_atomic": 0.05824292794747247,
"volume": 206.03359794724668,
"volume_molar": 10.339694401063054,
"formula_full": "Ho2 Ga8 Ni2",
"formula_reduced": "HoGa4Ni",
"formula_anonymous": "ABC4",
"energy": -51.36135711,
"energy_per_atom": -4.2801130925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.36135711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009226,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.382000Z",
"spacegroup": 63
},
{
"id": "mp-541933",
"created_at": "2022-09-04T14:47:10.308065Z",
"structure_string": "Cr2 Hg10 S4 O10\n1.0\n7.200617 0.000000 0.000000\n3.018110 7.906199 0.000000\n1.602777 0.601724 9.523277\nCr Hg S O\n2 10 4 10\ndirect\n0.407455 0.622954 0.700952 Cr\n0.592545 0.377046 0.299048 Cr\n0.849656 0.434892 0.918439 Hg\n0.150344 0.565108 0.081561 Hg\n0.613489 0.718498 0.026716 Hg\n0.386511 0.281502 0.973284 Hg\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Hg\n0.193962 0.819614 0.348298 Hg\n0.806038 0.180386 0.651702 Hg\n0.668541 0.877767 0.338655 Hg\n0.331459 0.122233 0.661345 Hg\n0.410402 0.949707 0.189258 S\n0.589598 0.050293 0.810742 S\n0.897749 0.801188 0.511025 S\n0.102251 0.198812 0.488975 S\n0.261273 0.511069 0.695965 O\n0.738727 0.488931 0.304035 O\n0.649980 0.489086 0.695084 O\n0.350020 0.510914 0.304916 O\n0.342838 0.719430 0.852317 O\n0.657162 0.280570 0.147683 O\n0.022887 0.184046 0.849089 O\n0.977113 0.815954 0.150911 O\n0.385361 0.769404 0.566490 O\n0.614639 0.230596 0.433510 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Cr",
"Hg",
"S",
"O"
],
"chemical_system": "Cr-Hg-O-S",
"density": 7.345153627963766,
"density_atomic": 0.04795672072596843,
"volume": 542.1555020112347,
"volume_molar": 12.55744902661584,
"formula_full": "Cr2 Hg10 S4 O10",
"formula_reduced": "CrHg5S2O5",
"formula_anonymous": "AB2C5D5",
"energy": -111.28004011000002,
"energy_per_atom": -4.280001542692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.40004011,
"band_gap": 1.4834,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035392,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.516000Z",
"spacegroup": 2
},
{
"id": "mp-1110756",
"created_at": "2022-09-04T14:43:18.158450Z",
"structure_string": "K2 Rb1 Nd1 Cl6\n1.0\n0.000000 5.839013 5.839013\n5.839013 0.000000 5.839013\n5.839013 5.839013 0.000000\nK Rb Nd 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 Rb\n0.000000 0.000000 0.000000 Nd\n0.766480 0.233520 0.233520 Cl\n0.233520 0.233520 0.766480 Cl\n0.233520 0.766480 0.766480 Cl\n0.233520 0.766480 0.233520 Cl\n0.766480 0.233520 0.766480 Cl\n0.766480 0.766480 0.233520 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Nd",
"Cl"
],
"chemical_system": "Cl-K-Nd-Rb",
"density": 2.1713273038937704,
"density_atomic": 0.025116069597580105,
"volume": 398.15146876975865,
"volume_molar": 23.977241887322307,
"formula_full": "K2 Rb1 Nd1 Cl6",
"formula_reduced": "K2RbNdCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.79863370999999,
"energy_per_atom": -4.279863370999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11463371,
"band_gap": 4.359500000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.927000Z",
"spacegroup": 225
},
{
"id": "mp-569617",
"created_at": "2022-09-04T14:44:52.976771Z",
"structure_string": "Ca3 Zn2 Cu2 P4\n1.0\n2.021081 -3.500615 0.000000\n2.021081 3.500615 0.000000\n0.000000 0.000000 14.711452\nCa Zn Cu P\n3 2 2 4\ndirect\n0.000000 0.000000 0.267992 Ca\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.732008 Ca\n0.333333 0.666667 0.561850 Zn\n0.666667 0.333333 0.438150 Zn\n0.333333 0.666667 0.135423 Cu\n0.666667 0.333333 0.864577 Cu\n0.333333 0.666667 0.865944 P\n0.666667 0.333333 0.134056 P\n0.333333 0.666667 0.389383 P\n0.666667 0.333333 0.610617 P\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ca",
"Zn",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P-Zn",
"density": 4.004727696407096,
"density_atomic": 0.05284197991652086,
"volume": 208.16782447171113,
"volume_molar": 11.396508551560157,
"formula_full": "Ca3 Zn2 Cu2 P4",
"formula_reduced": "Ca3Zn2(CuP2)2",
"formula_anonymous": "A2B2C3D4",
"energy": -47.07757377,
"energy_per_atom": -4.279779433636364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.07757377,
"band_gap": 0.0428999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.197000Z",
"spacegroup": 164
},
{
"id": "mp-634977",
"created_at": "2022-09-04T14:45:01.122468Z",
"structure_string": "Cs3 Fe2 Cl9\n1.0\n3.681033 -6.375737 0.000000\n3.681033 6.375737 0.000000\n0.000000 0.000000 8.964303\nCs Fe Cl\n3 2 9\ndirect\n0.666667 0.333333 0.669445 Cs\n0.000000 0.000000 0.000000 Cs\n0.333333 0.666667 0.330555 Cs\n0.666667 0.333333 0.185651 Fe\n0.333333 0.666667 0.814349 Fe\n0.178755 0.821245 0.684660 Cl\n0.178755 0.357509 0.684660 Cl\n0.500000 0.500000 0.000000 Cl\n0.821245 0.642491 0.315340 Cl\n0.357509 0.178755 0.315340 Cl\n0.642491 0.821245 0.684660 Cl\n0.821245 0.178755 0.315340 Cl\n0.000000 0.500000 0.000000 Cl\n0.500000 0.000000 0.000000 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cs",
"Fe",
"Cl"
],
"chemical_system": "Cl-Cs-Fe",
"density": 3.273483417531816,
"density_atomic": 0.03327219154205984,
"volume": 420.77180225121043,
"volume_molar": 18.099621578540532,
"formula_full": "Cs3 Fe2 Cl9",
"formula_reduced": "Cs3Fe2Cl9",
"formula_anonymous": "A2B3C9",
"energy": -59.916487,
"energy_per_atom": -4.279749071428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.390487,
"band_gap": 0.2488999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.999882,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.680000Z",
"spacegroup": 164
},
{
"id": "mp-1182972",
"created_at": "2022-09-04T14:42:57.303216Z",
"structure_string": "Ag2 C2 N2 O2\n1.0\n4.495990 1.838391 -1.923892\n-1.498697 4.498974 -2.192740\n-0.450274 -1.838390 4.869553\nAg C N O\n2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.750000 0.750000 0.000000 N\n0.250000 0.250000 0.000000 N\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 5.760814746984949,
"density_atomic": 0.09258414734127127,
"volume": 86.40788115174267,
"volume_molar": 6.5045052883643155,
"formula_full": "Ag2 C2 N2 O2",
"formula_reduced": "AgCNO",
"formula_anonymous": "ABCD",
"energy": -34.237434609999994,
"energy_per_atom": -4.279679326249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.14143461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9018745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.240000Z",
"spacegroup": 65
},
{
"id": "mp-1113232",
"created_at": "2022-09-04T14:39:35.865053Z",
"structure_string": "Cs2 Ag1 Mo1 Cl6\n1.0\n0.000000 5.264002 5.264002\n5.264002 0.000000 5.264002\n5.264002 5.264002 0.000000\nCs Ag Mo 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 Mo\n0.764394 0.235606 0.235606 Cl\n0.235606 0.235606 0.764394 Cl\n0.235606 0.764394 0.764394 Cl\n0.235606 0.764394 0.235606 Cl\n0.764394 0.235606 0.764394 Cl\n0.764394 0.764394 0.235606 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Mo",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Mo",
"density": 3.8839171105488695,
"density_atomic": 0.034278504595048935,
"volume": 291.7280120044783,
"volume_molar": 17.568271519259383,
"formula_full": "Cs2 Ag1 Mo1 Cl6",
"formula_reduced": "Cs2AgMoCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.79671352999999,
"energy_per_atom": -4.2796713529999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.11271353,
"band_gap": 0.9531,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9987001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.845000Z",
"spacegroup": 225
},
{
"id": "mp-1213075",
"created_at": "2022-09-04T14:43:13.885327Z",
"structure_string": "Cu2 Pd2 F12\n1.0\n4.943732 0.000000 0.000000\n2.429150 4.358204 0.000000\n2.351624 1.425365 9.210420\nCu Pd F\n2 2 12\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.231537 0.277725 0.249949 Pd\n0.768463 0.722275 0.750051 Pd\n0.214843 0.542694 0.376741 F\n0.785157 0.457306 0.623259 F\n0.856704 0.248700 0.375582 F\n0.143296 0.751300 0.624418 F\n0.600389 0.295337 0.126321 F\n0.399611 0.704663 0.873679 F\n0.254544 0.003884 0.125132 F\n0.745456 0.996116 0.874868 F\n0.040381 0.349722 0.875800 F\n0.959619 0.650278 0.124200 F\n0.504384 0.089645 0.627492 F\n0.495616 0.910355 0.372508 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Pd",
"F"
],
"chemical_system": "Cu-F-Pd",
"density": 4.752136149802405,
"density_atomic": 0.08062654937066993,
"volume": 198.4457988700733,
"volume_molar": 7.469178337663939,
"formula_full": "Cu2 Pd2 F12",
"formula_reduced": "CuPdF6",
"formula_anonymous": "ABC6",
"energy": -68.47334675,
"energy_per_atom": -4.279584171875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.92934675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9990951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.628000Z",
"spacegroup": 2
},
{
"id": "mp-1327635",
"created_at": "2022-09-04T14:39:09.284796Z",
"structure_string": "Li4 Ni2 P4 O14\n1.0\n5.114915 0.000000 0.000000\n-2.469593 6.598813 0.000000\n-0.065715 -3.729386 7.833240\nLi Ni P O\n4 2 4 14\ndirect\n0.065285 0.301741 0.008526 Li\n0.322411 0.860602 0.749055 Li\n0.677589 0.139398 0.250945 Li\n0.934715 0.698259 0.991474 Li\n0.145016 0.817208 0.334140 Ni\n0.854984 0.182792 0.665860 Ni\n0.253143 0.250538 0.395547 P\n0.480469 0.693300 0.140906 P\n0.519531 0.306700 0.859094 P\n0.746857 0.749462 0.604453 P\n0.997873 0.280422 0.433692 O\n0.438478 0.136600 0.551438 O\n0.155010 0.139357 0.258987 O\n0.199427 0.231313 0.852733 O\n0.305404 0.623160 0.988016 O\n0.456526 0.483150 0.314999 O\n0.649150 0.149500 0.846978 O\n0.350850 0.850500 0.153022 O\n0.543474 0.516850 0.685001 O\n0.694596 0.376840 0.011984 O\n0.800573 0.768687 0.147267 O\n0.844990 0.860643 0.741013 O\n0.561522 0.863400 0.448562 O\n0.002127 0.719578 0.566308 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.0965873051806776,
"density_atomic": 0.09077485554665535,
"volume": 264.3903959468685,
"volume_molar": 6.634150749934066,
"formula_full": "Li4 Ni2 P4 O14",
"formula_reduced": "Li2NiP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -102.70998664,
"energy_per_atom": -4.2795827766666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.11798664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.646000Z",
"spacegroup": 2
},
{
"id": "mp-1213805",
"created_at": "2022-09-04T14:47:15.933763Z",
"structure_string": "Cr6 I18\n1.0\n3.503757 -6.068686 0.000000\n3.503757 6.068686 0.000000\n0.000000 0.000000 21.394233\nCr I\n6 18\ndirect\n0.554402 0.777201 0.000000 Cr\n0.222799 0.777201 0.333333 Cr\n0.222799 0.445598 0.666667 Cr\n0.888572 0.444286 0.000000 Cr\n0.555714 0.444286 0.333333 Cr\n0.555714 0.111428 0.666667 Cr\n0.221801 0.469635 0.926641 I\n0.530365 0.752166 0.259974 I\n0.221801 0.752166 0.073359 I\n0.247834 0.778199 0.593307 I\n0.530365 0.778199 0.740026 I\n0.247834 0.469635 0.406693 I\n0.580779 0.110849 0.926706 I\n0.889151 0.469930 0.260039 I\n0.580779 0.469930 0.073294 I\n0.530070 0.419221 0.593373 I\n0.889151 0.419221 0.739961 I\n0.530070 0.110849 0.406627 I\n0.862928 0.110998 0.073564 I\n0.889002 0.751929 0.406897 I\n0.862928 0.751929 0.926436 I\n0.248071 0.137072 0.740231 I\n0.889002 0.137072 0.593103 I\n0.248071 0.110998 0.259769 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"I"
],
"chemical_system": "Cr-I",
"density": 4.738505896201334,
"density_atomic": 0.02637885126109273,
"volume": 909.8197553203768,
"volume_molar": 22.829427636533612,
"formula_full": "Cr6 I18",
"formula_reduced": "CrI3",
"formula_anonymous": "AB3",
"energy": -102.70351643,
"energy_per_atom": -4.279313184583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.88151643,
"band_gap": 1.1590000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9999277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.875000Z",
"spacegroup": 151
},
{
"id": "mp-1219303",
"created_at": "2022-09-04T14:45:33.643164Z",
"structure_string": "Si6 Ag20 S22\n1.0\n6.503028 0.000000 0.000000\n2.555239 12.245484 0.000000\n2.417123 4.431122 12.601792\nSi Ag S\n6 20 22\ndirect\n0.303291 0.824834 0.937315 Si\n0.696709 0.175166 0.062685 Si\n0.012404 0.789084 0.539333 Si\n0.987596 0.210916 0.460667 Si\n0.202137 0.487769 0.699431 Si\n0.797863 0.512231 0.300569 Si\n0.553773 0.688516 0.470884 Ag\n0.446227 0.311484 0.529116 Ag\n0.806960 0.027595 0.882737 Ag\n0.193040 0.972405 0.117263 Ag\n0.482766 0.735246 0.685125 Ag\n0.517234 0.264754 0.314875 Ag\n0.857842 0.722277 0.821766 Ag\n0.142158 0.277723 0.178234 Ag\n0.203976 0.637067 0.368358 Ag\n0.796024 0.362933 0.631642 Ag\n0.772593 0.827334 0.121030 Ag\n0.227407 0.172666 0.878970 Ag\n0.644841 0.962407 0.658667 Ag\n0.355159 0.037593 0.341333 Ag\n0.251062 0.598176 0.163845 Ag\n0.748938 0.401824 0.836155 Ag\n0.853247 0.972204 0.312144 Ag\n0.146753 0.027796 0.687856 Ag\n0.675406 0.534006 0.038249 Ag\n0.324594 0.465994 0.961751 Ag\n0.519168 0.526659 0.665385 S\n0.480832 0.473341 0.334615 S\n0.039623 0.502840 0.847464 S\n0.960377 0.497160 0.152536 S\n0.690219 0.863044 0.517049 S\n0.309781 0.136956 0.482951 S\n0.970046 0.824343 0.942274 S\n0.029954 0.175657 0.057726 S\n0.384267 0.791487 0.092929 S\n0.615733 0.208513 0.907071 S\n0.207421 0.839318 0.389395 S\n0.792579 0.160682 0.610605 S\n0.096983 0.829898 0.663049 S\n0.903017 0.170102 0.336951 S\n0.396521 0.984358 0.825178 S\n0.603479 0.015642 0.174822 S\n0.182357 0.322985 0.692003 S\n0.817643 0.677015 0.307997 S\n0.017475 0.602799 0.572894 S\n0.982525 0.397201 0.427106 S\n0.476917 0.679952 0.888368 S\n0.523083 0.320048 0.111632 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Si",
"Ag",
"S"
],
"chemical_system": "Ag-S-Si",
"density": 5.015972348171531,
"density_atomic": 0.04783186902187691,
"volume": 1003.5150409457384,
"volume_molar": 12.590226731984167,
"formula_full": "Si6 Ag20 S22",
"formula_reduced": "Si3Ag10S11",
"formula_anonymous": "A3B10C11",
"energy": -205.39537424,
"energy_per_atom": -4.279070296666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.32937424,
"band_gap": 1.2759000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.547000Z",
"spacegroup": 2
}
]
}