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_stable&page=84",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=82",
"results": [
{
"id": "mp-1190085",
"created_at": "2022-09-04T14:44:10.972719Z",
"structure_string": "Zr2 B8 Ir6\n1.0\n3.821507 -6.619045 0.000000\n3.821507 6.619045 0.000000\n0.000000 0.000000 3.536954\nZr B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.396375 0.948658 0.750000 B\n0.051342 0.447717 0.750000 B\n0.552283 0.603625 0.750000 B\n0.603625 0.051342 0.250000 B\n0.948658 0.552283 0.250000 B\n0.447717 0.396375 0.250000 B\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.072780 0.742807 0.750000 Ir\n0.257193 0.329973 0.750000 Ir\n0.670027 0.927220 0.750000 Ir\n0.927220 0.257193 0.250000 Ir\n0.742807 0.670027 0.250000 Ir\n0.329973 0.072780 0.250000 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zr",
"density": 13.19872484581921,
"density_atomic": 0.08941915927039018,
"volume": 178.93257027409965,
"volume_molar": 6.734732029620124,
"formula_full": "Zr2 B8 Ir6",
"formula_reduced": "ZrB4Ir3",
"formula_anonymous": "AB3C4",
"energy": -132.00626913,
"energy_per_atom": -8.250391820625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.00626913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.403000Z",
"spacegroup": 176
},
{
"id": "mp-1102178",
"created_at": "2022-09-04T14:44:10.973157Z",
"structure_string": "Rb2 Y2 N8\n1.0\n6.315921 -0.280947 -1.189250\n-3.003709 6.375427 -1.411617\n-0.565968 -0.105296 7.852129\nRb Y N\n2 2 8\ndirect\n0.708512 0.139721 0.821622 Rb\n0.291488 0.860279 0.178378 Rb\n0.830425 0.628667 0.577825 Y\n0.169575 0.371333 0.422175 Y\n0.488931 0.292540 0.476721 N\n0.511069 0.707460 0.523279 N\n0.015200 0.420481 0.649390 N\n0.984800 0.579519 0.350610 N\n0.747654 0.591493 0.856884 N\n0.252346 0.408507 0.143116 N\n0.827971 0.049348 0.191432 N\n0.172029 0.950652 0.808568 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Y",
"N"
],
"chemical_system": "N-Rb-Y",
"density": 2.5193325992975564,
"density_atomic": 0.039509754966545255,
"volume": 303.72246069764185,
"volume_molar": 15.242161752456392,
"formula_full": "Rb2 Y2 N8",
"formula_reduced": "RbYN4",
"formula_anonymous": "ABC4",
"energy": -64.73297898,
"energy_per_atom": -5.394414915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.84497898000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9977802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.388000Z",
"spacegroup": 2
},
{
"id": "mp-1213305",
"created_at": "2022-09-04T14:44:10.973888Z",
"structure_string": "Eu4 Ta4 O14\n1.0\n1.992035 -13.548599 0.000000\n1.992035 13.548599 0.000000\n0.000000 0.000000 5.704142\nEu Ta O\n4 4 14\ndirect\n0.711004 0.288996 0.352893 Eu\n0.288996 0.711004 0.852893 Eu\n0.447448 0.552552 0.293725 Eu\n0.552552 0.447448 0.793725 Eu\n0.839883 0.160117 0.317275 Ta\n0.160117 0.839883 0.817275 Ta\n0.943650 0.056350 0.793671 Ta\n0.056350 0.943650 0.293671 Ta\n0.907223 0.092777 0.489708 O\n0.092777 0.907223 0.989708 O\n0.800456 0.199544 0.587102 O\n0.199544 0.800456 0.087102 O\n0.349322 0.650678 0.288382 O\n0.650678 0.349322 0.788382 O\n0.890348 0.109652 0.005910 O\n0.109652 0.890348 0.505910 O\n0.784471 0.215529 0.105762 O\n0.215529 0.784471 0.605762 O\n0.993665 0.006335 0.054307 O\n0.006335 0.993665 0.554307 O\n0.547978 0.452022 0.274386 O\n0.452022 0.547978 0.774386 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Ta",
"O"
],
"chemical_system": "Eu-O-Ta",
"density": 8.389696986350469,
"density_atomic": 0.07145144282989148,
"volume": 307.90141008596083,
"volume_molar": 8.428298326091545,
"formula_full": "Eu4 Ta4 O14",
"formula_reduced": "Eu2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy": -234.17065027,
"energy_per_atom": -10.644120466818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.55265027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.8982844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.389000Z",
"spacegroup": 36
},
{
"id": "mp-1173979",
"created_at": "2022-09-04T14:44:10.980667Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.786295 0.111089 1.814643\n-1.110806 4.962263 2.625929\n-0.237055 0.150762 5.851246\nLi Mn Co O\n5 2 1 8\ndirect\n0.497425 0.252989 0.994023 Li\n0.499998 0.257019 0.500001 Li\n0.500002 0.742981 0.499999 Li\n0.502575 0.747011 0.005977 Li\n0.000000 0.500000 0.500000 Li\n0.000001 0.000001 0.000002 Mn\n0.000002 0.499999 0.999997 Mn\n0.000000 0.000000 0.500000 Co\n0.230485 0.363763 0.772469 O\n0.212144 0.361822 0.246523 O\n0.212142 0.891655 0.246521 O\n0.239341 0.857477 0.785048 O\n0.760659 0.142523 0.214952 O\n0.787857 0.108345 0.753479 O\n0.787856 0.638178 0.753477 O\n0.769515 0.636237 0.227531 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.944404499741271,
"density_atomic": 0.11464533086299165,
"volume": 139.5608515371725,
"volume_molar": 5.25284432838947,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -106.9791702,
"energy_per_atom": -6.6861981375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.5091702,
"band_gap": 1.2190999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0012016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.040000Z",
"spacegroup": 12
},
{
"id": "mp-836407",
"created_at": "2022-09-04T14:44:10.984870Z",
"structure_string": "Ni8 C32 O32\n1.0\n11.023518 0.000000 0.000000\n0.000000 11.023518 0.000000\n0.000000 0.000000 11.023518\nNi C O\n8 32 32\ndirect\n0.378123 0.621877 0.121877 Ni\n0.621877 0.121877 0.378123 Ni\n0.121877 0.378123 0.621877 Ni\n0.878123 0.878123 0.878123 Ni\n0.621877 0.378123 0.878123 Ni\n0.378123 0.878123 0.621877 Ni\n0.878123 0.621877 0.378123 Ni\n0.121877 0.121877 0.121877 Ni\n0.284108 0.715892 0.215892 C\n0.715892 0.215892 0.284108 C\n0.215892 0.284108 0.715892 C\n0.784108 0.784108 0.784108 C\n0.715892 0.284108 0.784108 C\n0.284108 0.784108 0.715892 C\n0.784108 0.715892 0.284108 C\n0.215892 0.215892 0.215892 C\n0.283794 0.526049 0.030314 C\n0.716206 0.026049 0.469686 C\n0.216206 0.473951 0.530314 C\n0.783794 0.973951 0.969686 C\n0.030314 0.283794 0.526049 C\n0.469686 0.716206 0.026049 C\n0.530314 0.216206 0.473951 C\n0.969686 0.783794 0.973951 C\n0.526049 0.030314 0.283794 C\n0.026049 0.469686 0.716206 C\n0.473951 0.530314 0.216206 C\n0.973951 0.969686 0.783794 C\n0.716206 0.473951 0.969686 C\n0.283794 0.973951 0.530314 C\n0.783794 0.526049 0.469686 C\n0.216206 0.026049 0.030314 C\n0.969686 0.716206 0.473951 C\n0.530314 0.283794 0.973951 C\n0.469686 0.783794 0.526049 C\n0.030314 0.216206 0.026049 C\n0.473951 0.969686 0.716206 C\n0.973951 0.530314 0.283794 C\n0.526049 0.469686 0.783794 C\n0.026049 0.030314 0.216206 C\n0.223684 0.776316 0.276316 O\n0.776316 0.276316 0.223684 O\n0.276316 0.223684 0.776316 O\n0.723684 0.723684 0.723684 O\n0.776316 0.223684 0.723684 O\n0.223684 0.723684 0.776316 O\n0.723684 0.776316 0.223684 O\n0.276316 0.276316 0.276316 O\n0.223567 0.463866 0.971446 O\n0.776433 0.963866 0.528554 O\n0.276433 0.536134 0.471446 O\n0.723567 0.036134 0.028554 O\n0.971446 0.223567 0.463866 O\n0.528554 0.776433 0.963866 O\n0.471446 0.276433 0.536134 O\n0.028554 0.723567 0.036134 O\n0.463866 0.971446 0.223567 O\n0.963866 0.528554 0.776433 O\n0.536134 0.471446 0.276433 O\n0.036134 0.028554 0.723567 O\n0.776433 0.536134 0.028554 O\n0.223567 0.036134 0.471446 O\n0.723567 0.463866 0.528554 O\n0.276433 0.963866 0.971446 O\n0.028554 0.776433 0.536134 O\n0.471446 0.223567 0.036134 O\n0.528554 0.723567 0.463866 O\n0.971446 0.276433 0.963866 O\n0.536134 0.028554 0.776433 O\n0.036134 0.471446 0.223567 O\n0.463866 0.528554 0.723567 O\n0.963866 0.971446 0.276433 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Ni",
"C",
"O"
],
"chemical_system": "C-Ni-O",
"density": 1.6931597825712044,
"density_atomic": 0.053749180824210645,
"volume": 1339.555299186411,
"volume_molar": 11.204153565978446,
"formula_full": "Ni8 C32 O32",
"formula_reduced": "Ni(CO)4",
"formula_anonymous": "AB4C4",
"energy": -548.69160713,
"energy_per_atom": -7.620716765694444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -506.37960713,
"band_gap": 3.6732,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.253000Z",
"spacegroup": 205
},
{
"id": "mp-1180520",
"created_at": "2022-09-04T14:44:10.986867Z",
"structure_string": "Li4 S4\n1.0\n-2.389532 2.389532 6.984932\n2.389532 -2.389532 6.984932\n2.389532 2.389532 -6.984932\nLi S\n4 4\ndirect\n0.723305 0.723305 0.000000 Li\n0.276695 0.276695 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.036528 0.721576 0.000000 S\n0.721576 0.036528 0.000000 S\n0.963472 0.963472 0.685048 S\n0.278424 0.278424 0.314952 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.6240246980206432,
"density_atomic": 0.05014667144837514,
"volume": 159.53202413914588,
"volume_molar": 12.009053813670679,
"formula_full": "Li4 S4",
"formula_reduced": "LiS",
"formula_anonymous": "AB",
"energy": -31.9713285,
"energy_per_atom": -3.9964160625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.9593285,
"band_gap": 0.4295,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.044000Z",
"spacegroup": 121
},
{
"id": "mp-980190",
"created_at": "2022-09-04T14:44:10.987192Z",
"structure_string": "Li1 Yb3\n1.0\n0.000000 4.198320 4.198320\n4.198320 0.000000 4.198320\n4.198320 4.198320 0.000000\nLi Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Yb"
],
"chemical_system": "Li-Yb",
"density": 5.902399409401069,
"density_atomic": 0.027027344796468643,
"volume": 147.9982599149967,
"volume_molar": 22.281658836079394,
"formula_full": "Li1 Yb3",
"formula_reduced": "LiYb3",
"formula_anonymous": "AB3",
"energy": -6.15637909,
"energy_per_atom": -1.5390947725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.15637909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.679000Z",
"spacegroup": 225
},
{
"id": "mp-1235635",
"created_at": "2022-09-04T14:44:10.964611Z",
"structure_string": "Li1 Dy2 Mn4 O8\n1.0\n5.396396 -0.004227 3.066492\n1.600039 5.498349 3.393323\n-0.281576 0.202621 6.616844\nLi Dy Mn O\n1 2 4 8\ndirect\n0.895084 0.355825 0.344314 Li\n0.181287 0.088133 0.087182 Dy\n0.865344 0.888628 0.881793 Dy\n0.494613 0.019270 0.491220 Mn\n0.968927 0.541265 0.541033 Mn\n0.493078 0.496507 0.017069 Mn\n0.460756 0.529659 0.527139 Mn\n0.725020 0.755642 0.753377 O\n0.284908 0.278846 0.687476 O\n0.279356 0.689853 0.278814 O\n0.780277 0.223735 0.220370 O\n0.725126 0.299178 0.705681 O\n0.265393 0.751248 0.745699 O\n0.254917 0.250099 0.243535 O\n0.720909 0.712328 0.293001 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Li-Mn-O",
"density": 5.688459634269432,
"density_atomic": 0.0756009054553508,
"volume": 198.4103220676221,
"volume_molar": 7.965699251521031,
"formula_full": "Li1 Dy2 Mn4 O8",
"formula_reduced": "LiDy2Mn4O8",
"formula_anonymous": "AB2C4D8",
"energy": -125.07966372,
"energy_per_atom": -8.338644248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.91166372,
"band_gap": 0.5287000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.9998738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.192000Z",
"spacegroup": 8
},
{
"id": "mp-9248",
"created_at": "2022-09-04T14:44:10.980867Z",
"structure_string": "Cu4 Si2 S6\n1.0\n3.201717 -5.500106 0.000000\n3.201717 5.500106 0.000000\n0.000000 0.000000 6.088981\nCu Si S\n4 2 6\ndirect\n0.323584 0.001652 0.980430 Cu\n0.676416 0.998348 0.480430 Cu\n0.998348 0.676416 0.480430 Cu\n0.001652 0.323584 0.980430 Cu\n0.668488 0.668488 0.010664 Si\n0.331512 0.331512 0.510664 Si\n0.339646 0.015858 0.605541 S\n0.660354 0.984142 0.105541 S\n0.344250 0.344250 0.138395 S\n0.655750 0.655750 0.638395 S\n0.015858 0.339646 0.605541 S\n0.984142 0.660354 0.105541 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"Si",
"S"
],
"chemical_system": "Cu-S-Si",
"density": 3.8928551256896213,
"density_atomic": 0.0559567690179918,
"volume": 214.45126676527082,
"volume_molar": 10.76213095517309,
"formula_full": "Cu4 Si2 S6",
"formula_reduced": "Cu2SiS3",
"formula_anonymous": "AB2C3",
"energy": -60.33950202,
"energy_per_atom": -5.028291835,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.32150202,
"band_gap": 1.197,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001523,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.146000Z",
"spacegroup": 36
},
{
"id": "mp-35308",
"created_at": "2022-09-04T14:44:11.338472Z",
"structure_string": "Cu1 C1 N1\n1.0\n2.395267 -3.080908 0.000000\n2.395267 3.080908 0.000000\n-1.567546 0.000000 3.573807\nCu C N\n1 1 1\ndirect\n0.000231 0.000231 0.000231 Cu\n0.377885 0.377885 0.377885 C\n0.621884 0.621884 0.621884 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cu",
"C",
"N"
],
"chemical_system": "C-Cu-N",
"density": 2.819589713213412,
"density_atomic": 0.0568757979630757,
"volume": 52.74651270734923,
"volume_molar": 10.588230804092857,
"formula_full": "Cu1 C1 N1",
"formula_reduced": "CuCN",
"formula_anonymous": "ABC",
"energy": -20.948218,
"energy_per_atom": -6.982739333333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.587218,
"band_gap": 2.5202,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.05e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.236000Z",
"spacegroup": 160
},
{
"id": "mp-1211363",
"created_at": "2022-09-04T14:44:11.339156Z",
"structure_string": "La8 Ru2\n1.0\n-5.632317 -5.632317 0.000000\n-5.632317 0.000000 -5.632317\n0.000000 -5.632317 -5.632317\nLa Ru\n8 2\ndirect\n0.615232 0.615232 0.615232 La\n0.154303 0.615232 0.615232 La\n0.615232 0.154303 0.615232 La\n0.595697 0.134768 0.134768 La\n0.134768 0.134768 0.134768 La\n0.615232 0.615232 0.154303 La\n0.134768 0.595697 0.134768 La\n0.134768 0.134768 0.595697 La\n0.000000 0.000000 0.000000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"La",
"Ru"
],
"chemical_system": "La-Ru",
"density": 6.1030857777916925,
"density_atomic": 0.027983931853182747,
"volume": 357.34792567623595,
"volume_molar": 21.51999508716311,
"formula_full": "La8 Ru2",
"formula_reduced": "La4Ru",
"formula_anonymous": "AB4",
"energy": -56.81756006,
"energy_per_atom": -5.681756006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.81756006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0158884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.620000Z",
"spacegroup": 227
},
{
"id": "mp-776475",
"created_at": "2022-09-04T14:44:08.033699Z",
"structure_string": "Al16 O24\n1.0\n-4.488270 4.488270 4.488270\n4.488270 -4.488270 4.488270\n4.488270 4.488270 -4.488270\nAl O\n16 24\ndirect\n0.500000 0.000000 0.000000 Al\n0.962242 0.250000 0.212242 Al\n0.787758 0.037758 0.750000 Al\n0.712242 0.462242 0.250000 Al\n0.750000 0.787758 0.037758 Al\n0.750000 0.287758 0.537758 Al\n0.462242 0.250000 0.712242 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.537758 0.750000 0.287758 Al\n0.250000 0.712242 0.462242 Al\n0.250000 0.212242 0.962242 Al\n0.287758 0.537758 0.750000 Al\n0.212242 0.962242 0.250000 Al\n0.037758 0.750000 0.787758 Al\n0.770866 0.046032 0.497436 O\n0.729134 0.226570 0.275166 O\n0.273430 0.002564 0.048596 O\n0.953968 0.502564 0.229134 O\n0.453968 0.224834 0.451404 O\n0.773430 0.724834 0.270866 O\n0.048596 0.273430 0.002564 O\n0.451404 0.453968 0.224834 O\n0.724834 0.270866 0.773430 O\n0.775166 0.548596 0.546032 O\n0.002564 0.048596 0.273430 O\n0.497436 0.770866 0.046032 O\n0.997436 0.951404 0.726570 O\n0.224834 0.451404 0.453968 O\n0.275166 0.729134 0.226570 O\n0.502564 0.229134 0.953968 O\n0.548596 0.546032 0.775166 O\n0.951404 0.726570 0.997436 O\n0.546032 0.775166 0.548596 O\n0.226570 0.275166 0.729134 O\n0.046032 0.497436 0.770866 O\n0.726570 0.997436 0.951404 O\n0.229134 0.953968 0.502564 O\n0.270866 0.773430 0.724834 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.745220877449811,
"density_atomic": 0.11060202426087175,
"volume": 361.6570335607411,
"volume_molar": 5.444873907367068,
"formula_full": "Al16 O24",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"energy": -314.55173225,
"energy_per_atom": -7.86379330625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.06373225,
"band_gap": 5.2156,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.028000Z",
"spacegroup": 206
}
]
}