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=formula_anonymous&page=10193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10191",
"results": [
{
"id": "mp-4681",
"created_at": "2022-09-04T14:43:15.328389Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.621033 0.000000 0.000000\n0.000000 5.698080 0.000000\n0.000000 0.000000 7.843404\nNa Nb O\n4 4 12\ndirect\n0.759305 0.250653 0.500000 Na\n0.240695 0.750653 0.500000 Na\n0.765447 0.271365 0.000000 Na\n0.234553 0.771365 0.000000 Na\n0.743061 0.768693 0.250530 Nb\n0.256939 0.268693 0.749470 Nb\n0.256939 0.268693 0.250530 Nb\n0.743061 0.768693 0.749470 Nb\n0.959238 0.517327 0.717275 O\n0.040762 0.017327 0.282725 O\n0.040762 0.017327 0.717275 O\n0.959238 0.517327 0.282725 O\n0.538935 0.091941 0.780445 O\n0.461065 0.591941 0.219555 O\n0.461065 0.591941 0.780445 O\n0.538935 0.091941 0.219555 O\n0.188141 0.304088 0.000000 O\n0.811859 0.804088 0.000000 O\n0.312590 0.323971 0.500000 O\n0.687410 0.823971 0.500000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.333350384066994,
"density_atomic": 0.07961240304779144,
"volume": 251.21713746027703,
"volume_molar": 7.564324815550285,
"formula_full": "Na4 Nb4 O12",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy": -161.7242321,
"energy_per_atom": -8.086211604999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.4802321,
"band_gap": 2.3684000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013885,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.907000Z",
"spacegroup": 26
},
{
"id": "mp-778151",
"created_at": "2022-09-04T14:43:15.275835Z",
"structure_string": "Er4 Lu4 O12\n1.0\n5.582688 0.000000 0.000000\n0.000000 5.843866 0.000000\n0.000000 0.000000 8.226505\nEr Lu O\n4 4 12\ndirect\n0.987238 0.052248 0.250000 Er\n0.487238 0.447752 0.750000 Er\n0.512762 0.552248 0.250000 Er\n0.012762 0.947752 0.750000 Er\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.642187 0.074549 0.750000 O\n0.178181 0.182056 0.574035 O\n0.178181 0.182056 0.925965 O\n0.678181 0.317944 0.425965 O\n0.678181 0.317944 0.074035 O\n0.142187 0.425451 0.250000 O\n0.857813 0.574549 0.750000 O\n0.321819 0.682056 0.574035 O\n0.321819 0.682056 0.925965 O\n0.821819 0.817944 0.074035 O\n0.821819 0.817944 0.425965 O\n0.357813 0.925451 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Lu",
"O"
],
"chemical_system": "Er-Lu-O",
"density": 9.657491079156205,
"density_atomic": 0.07451968725571273,
"volume": 268.38545271091147,
"volume_molar": 8.081274870807162,
"formula_full": "Er4 Lu4 O12",
"formula_reduced": "ErLuO3",
"formula_anonymous": "ABC3",
"energy": -175.7142628,
"energy_per_atom": -8.78571314,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.4702628,
"band_gap": 4.525,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.791000Z",
"spacegroup": 62
},
{
"id": "mp-19062",
"created_at": "2022-09-04T14:43:15.145729Z",
"structure_string": "Nd1 Cr1 O3\n1.0\n3.901910 0.000000 0.000000\n0.000000 3.901910 0.000000\n0.000000 0.000000 3.901910\nNd Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Cr",
"O"
],
"chemical_system": "Cr-Nd-O",
"density": 6.826963263257871,
"density_atomic": 0.08416630482220619,
"volume": 59.40619598973787,
"volume_molar": 7.15504948532698,
"formula_full": "Nd1 Cr1 O3",
"formula_reduced": "NdCrO3",
"formula_anonymous": "ABC3",
"energy": -44.25871327,
"energy_per_atom": -8.851742654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.19871327,
"band_gap": 1.9338,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.336000Z",
"spacegroup": 221
},
{
"id": "mp-3283",
"created_at": "2022-09-04T14:43:15.127217Z",
"structure_string": "Rb4 Nb4 O12\n1.0\n5.180706 0.000000 0.000000\n-0.673355 8.593860 0.000000\n-0.556980 -3.935549 8.260054\nRb Nb O\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.909650 0.202499 0.596594 Rb\n0.090350 0.797501 0.403406 Rb\n0.997830 0.783459 0.855053 Nb\n0.002170 0.216541 0.144947 Nb\n0.474440 0.988518 0.185241 Nb\n0.525560 0.011482 0.814759 Nb\n0.149755 0.439342 0.231977 O\n0.850245 0.560658 0.768023 O\n0.596867 0.891479 0.313150 O\n0.403133 0.108521 0.686850 O\n0.219836 0.783566 0.039080 O\n0.780164 0.216434 0.960920 O\n0.718120 0.218546 0.274475 O\n0.281880 0.781454 0.725525 O\n0.794075 0.874510 0.704873 O\n0.205925 0.125490 0.295127 O\n0.737354 0.924221 0.008329 O\n0.262646 0.075779 0.991671 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Rb",
"density": 4.088579224617305,
"density_atomic": 0.05438384225046781,
"volume": 367.75628886037305,
"volume_molar": 11.073400684461932,
"formula_full": "Rb4 Nb4 O12",
"formula_reduced": "RbNbO3",
"formula_anonymous": "ABC3",
"energy": -160.48390888,
"energy_per_atom": -8.024195444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.23990888,
"band_gap": 3.3093,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.45e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.723000Z",
"spacegroup": 2
},
{
"id": "mp-568318",
"created_at": "2022-09-04T14:43:14.951030Z",
"structure_string": "K20 Ta20 Te60\n1.0\n14.268809 0.000000 0.000000\n0.000000 7.986365 0.000000\n0.000000 0.041237 31.328589\nK Ta Te\n20 20 60\ndirect\n0.948194 0.281415 0.549559 K\n0.051806 0.718585 0.450441 K\n0.551806 0.281415 0.049559 K\n0.910312 0.236628 0.141202 K\n0.965316 0.224255 0.351505 K\n0.892340 0.211699 0.750277 K\n0.448194 0.718585 0.950441 K\n0.392340 0.788301 0.749723 K\n0.880606 0.227011 0.949257 K\n0.119394 0.772989 0.050743 K\n0.410312 0.763372 0.358798 K\n0.534684 0.224255 0.851505 K\n0.034684 0.775745 0.648495 K\n0.089688 0.763372 0.858798 K\n0.380606 0.772989 0.550743 K\n0.619394 0.227011 0.449257 K\n0.107660 0.788301 0.249723 K\n0.589688 0.236628 0.641202 K\n0.465316 0.775745 0.148495 K\n0.607660 0.211699 0.250277 K\n0.817116 0.775279 0.195129 Ta\n0.256820 0.313622 0.103671 Ta\n0.757903 0.766362 0.091251 Ta\n0.243180 0.313622 0.603671 Ta\n0.756820 0.686378 0.396329 Ta\n0.786285 0.650436 0.298214 Ta\n0.713715 0.650436 0.798214 Ta\n0.317116 0.224721 0.304871 Ta\n0.746698 0.719828 0.491850 Ta\n0.242097 0.233638 0.908749 Ta\n0.246698 0.280172 0.008150 Ta\n0.743180 0.686378 0.896329 Ta\n0.742097 0.766362 0.591251 Ta\n0.213715 0.349564 0.701786 Ta\n0.286285 0.349564 0.201786 Ta\n0.182884 0.224721 0.804871 Ta\n0.257903 0.233638 0.408749 Ta\n0.253302 0.280172 0.508150 Ta\n0.682884 0.775279 0.695129 Ta\n0.753302 0.719828 0.991850 Ta\n0.216174 0.542061 0.946081 Te\n0.621594 0.477189 0.736270 Te\n0.088916 0.320699 0.059362 Te\n0.690725 0.525511 0.153092 Te\n0.430739 0.263526 0.149917 Te\n0.197972 0.002097 0.348372 Te\n0.861872 0.679143 0.736349 Te\n0.283826 0.542061 0.446081 Te\n0.845576 0.865877 0.832654 Te\n0.268358 0.614978 0.654790 Te\n0.634800 0.983476 0.755977 Te\n0.825961 0.961543 0.439119 Te\n0.911084 0.679301 0.940638 Te\n0.121861 0.067283 0.962410 Te\n0.602802 0.838616 0.044972 Te\n0.716174 0.457939 0.553919 Te\n0.397198 0.161384 0.955028 Te\n0.154424 0.134123 0.167346 Te\n0.802028 0.997903 0.651628 Te\n0.768358 0.385022 0.845210 Te\n0.134800 0.016524 0.744023 Te\n0.378406 0.522811 0.263730 Te\n0.731642 0.385022 0.345210 Te\n0.069261 0.263526 0.649917 Te\n0.638128 0.679143 0.236349 Te\n0.174039 0.038457 0.560881 Te\n0.325961 0.038457 0.060881 Te\n0.878139 0.932717 0.037590 Te\n0.411084 0.320699 0.559362 Te\n0.878406 0.477189 0.236270 Te\n0.102802 0.161384 0.455028 Te\n0.552877 0.750882 0.635715 Te\n0.302028 0.002097 0.848372 Te\n0.052877 0.249118 0.864285 Te\n0.121594 0.522811 0.763730 Te\n0.138128 0.320857 0.263651 Te\n0.345576 0.134123 0.667346 Te\n0.930739 0.736474 0.350083 Te\n0.865200 0.983476 0.255977 Te\n0.697972 0.997903 0.151628 Te\n0.621861 0.932717 0.537590 Te\n0.309275 0.474489 0.846908 Te\n0.231642 0.614978 0.154790 Te\n0.378139 0.067283 0.462410 Te\n0.342611 0.541399 0.047988 Te\n0.361872 0.320857 0.763651 Te\n0.365200 0.016524 0.244023 Te\n0.674039 0.961543 0.939119 Te\n0.447123 0.249118 0.364285 Te\n0.842611 0.458601 0.452012 Te\n0.157389 0.541399 0.547988 Te\n0.588916 0.679301 0.440638 Te\n0.657389 0.458601 0.952012 Te\n0.783826 0.457939 0.053919 Te\n0.809275 0.525511 0.653092 Te\n0.947123 0.750882 0.135715 Te\n0.897198 0.838616 0.544972 Te\n0.569261 0.736474 0.850083 Te\n0.190725 0.474489 0.346908 Te\n0.654424 0.865877 0.332654 Te\n",
"nsites": 100,
"nelements": 3,
"elements": [
"K",
"Ta",
"Te"
],
"chemical_system": "K-Ta-Te",
"density": 5.607998538235741,
"density_atomic": 0.028010591848488458,
"volume": 3570.0780812097096,
"volume_molar": 21.49951272923558,
"formula_full": "K20 Ta20 Te60",
"formula_reduced": "KTaTe3",
"formula_anonymous": "ABC3",
"energy": -530.48983437,
"energy_per_atom": -5.304898343700001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -505.16983437,
"band_gap": 0.4565999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.179000Z",
"spacegroup": 14
},
{
"id": "mp-19074",
"created_at": "2022-09-04T14:43:14.844882Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n2.920566 0.000000 0.000000\n-1.460283 4.794403 0.000000\n0.000000 0.000000 7.256845\nTi Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.746965 0.493933 0.250000 Fe\n0.253033 0.506067 0.750000 Fe\n0.369313 0.738625 0.434877 O\n0.369313 0.738625 0.065122 O\n0.915781 0.831564 0.750000 O\n0.630686 0.261374 0.934877 O\n0.630686 0.261374 0.565122 O\n0.084218 0.168435 0.250000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.958433185471933,
"density_atomic": 0.09841257411263805,
"volume": 101.6130315680444,
"volume_molar": 6.119279791530869,
"formula_full": "Ti2 Fe2 O6",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
"energy": -88.48473615,
"energy_per_atom": -8.848473615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.85073615,
"band_gap": 1.6437,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.276000Z",
"spacegroup": 63
},
{
"id": "mp-1183686",
"created_at": "2022-09-04T14:43:14.813121Z",
"structure_string": "Co1 Au1 O3\n1.0\n3.798996 0.000000 0.000000\n0.000000 3.798996 0.000000\n0.000000 0.000000 3.798996\nCo Au O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Au",
"O"
],
"chemical_system": "Au-Co-O",
"density": 9.203867949631238,
"density_atomic": 0.09119341837427758,
"volume": 54.82851821037035,
"volume_molar": 6.60370108650147,
"formula_full": "Co1 Au1 O3",
"formula_reduced": "CoAuO3",
"formula_anonymous": "ABC3",
"energy": -26.353156230000003,
"energy_per_atom": -5.270631246000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.65415623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1288082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.555000Z",
"spacegroup": 221
},
{
"id": "mp-23396",
"created_at": "2022-09-04T14:43:14.809862Z",
"structure_string": "Mo4 N4 Cl12\n1.0\n8.068273 0.000000 0.000000\n-2.708355 8.024001 0.000000\n-2.961502 -2.623988 8.593358\nMo N Cl\n4 4 12\ndirect\n0.625325 0.849099 0.630996 Mo\n0.374675 0.150901 0.369004 Mo\n0.484650 0.443119 0.765871 Mo\n0.515350 0.556881 0.234129 Mo\n0.562591 0.670198 0.693189 N\n0.437409 0.329802 0.306811 N\n0.438193 0.293739 0.600024 N\n0.561807 0.706261 0.399976 N\n0.189400 0.460653 0.117978 Cl\n0.810600 0.539347 0.882022 Cl\n0.577238 0.728645 0.073285 Cl\n0.422762 0.271355 0.926715 Cl\n0.799293 0.523052 0.296833 Cl\n0.200707 0.476948 0.703167 Cl\n0.068742 0.108620 0.341866 Cl\n0.931258 0.891380 0.658134 Cl\n0.282475 0.931838 0.149597 Cl\n0.717525 0.068162 0.850403 Cl\n0.681766 0.151308 0.482887 Cl\n0.318234 0.848692 0.517113 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mo",
"N",
"Cl"
],
"chemical_system": "Cl-Mo-N",
"density": 2.58251343189597,
"density_atomic": 0.03594972163665297,
"volume": 556.332541379368,
"volume_molar": 16.751564367775394,
"formula_full": "Mo4 N4 Cl12",
"formula_reduced": "MoNCl3",
"formula_anonymous": "ABC3",
"energy": -120.82398804,
"energy_per_atom": -6.041199402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.01198804,
"band_gap": 1.6768,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.53e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.631000Z",
"spacegroup": 2
},
{
"id": "mp-998712",
"created_at": "2022-09-04T14:43:20.063149Z",
"structure_string": "Tl1 Ge1 F3\n1.0\n4.720373 0.000000 0.000000\n-0.030609 4.731682 0.000000\n-0.324698 -1.000543 4.744551\nTl Ge F\n1 1 3\ndirect\n0.104629 0.033400 0.962179 Tl\n0.518156 0.498888 0.494567 Ge\n0.919565 0.533056 0.551512 F\n0.477935 0.537093 0.886558 F\n0.479715 0.907560 0.545182 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"F"
],
"chemical_system": "F-Ge-Tl",
"density": 5.233987064051521,
"density_atomic": 0.04718272482021453,
"volume": 105.97098872631973,
"volume_molar": 12.76344421172541,
"formula_full": "Tl1 Ge1 F3",
"formula_reduced": "TlGeF3",
"formula_anonymous": "ABC3",
"energy": -24.125164420000004,
"energy_per_atom": -4.8250328840000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.73916442,
"band_gap": 3.1344000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.460000Z",
"spacegroup": 1
},
{
"id": "mp-1110662",
"created_at": "2022-09-04T14:43:14.919169Z",
"structure_string": "Rb2 In2 F6\n1.0\n0.000000 4.710768 4.710768\n4.710768 0.000000 4.710768\n4.710768 4.710768 0.000000\nRb In F\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.775238 0.224762 0.224762 F\n0.224762 0.224762 0.775238 F\n0.224762 0.775238 0.775238 F\n0.224762 0.775238 0.224762 F\n0.775238 0.224762 0.775238 F\n0.775238 0.775238 0.224762 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"F"
],
"chemical_system": "F-In-Rb",
"density": 4.086783958371562,
"density_atomic": 0.047829391488691954,
"volume": 209.0764630021322,
"volume_molar": 12.590878898017722,
"formula_full": "Rb2 In2 F6",
"formula_reduced": "RbInF3",
"formula_anonymous": "ABC3",
"energy": -46.27204056,
"energy_per_atom": -4.627204056,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.50004056,
"band_gap": 2.4848,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.58e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.586000Z",
"spacegroup": 225
},
{
"id": "mp-975255",
"created_at": "2022-09-04T14:43:15.384707Z",
"structure_string": "Rb1 Pd1 O3\n1.0\n4.128309 0.000000 0.000000\n0.000000 4.128309 0.000000\n0.000000 0.000000 4.128309\nRb Pd O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"O"
],
"chemical_system": "O-Pd-Rb",
"density": 5.661576907486393,
"density_atomic": 0.07106461625987134,
"volume": 70.35850277043419,
"volume_molar": 8.474176146928093,
"formula_full": "Rb1 Pd1 O3",
"formula_reduced": "RbPdO3",
"formula_anonymous": "ABC3",
"energy": -24.87485223,
"energy_per_atom": -4.9749704459999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.81385223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.185399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.453000Z",
"spacegroup": 221
},
{
"id": "mp-1013561",
"created_at": "2022-09-04T14:43:14.884508Z",
"structure_string": "Sr3 Sb1 As1\n1.0\n5.848444 0.000000 0.000000\n0.000000 5.848444 0.000000\n0.000000 0.000000 5.848444\nSr Sb As\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"As"
],
"chemical_system": "As-Sb-Sr",
"density": 3.8146344102107195,
"density_atomic": 0.024994761490763035,
"volume": 200.04191685716947,
"volume_molar": 24.093611624281827,
"formula_full": "Sr3 Sb1 As1",
"formula_reduced": "Sr3SbAs",
"formula_anonymous": "ABC3",
"energy": -18.43245529,
"energy_per_atom": -3.686491058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.24045529,
"band_gap": 0.1279999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.915000Z",
"spacegroup": 221
}
]
}