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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=103",
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"results": [
{
"id": "mp-1214910",
"created_at": "2022-09-04T14:41:11.530045Z",
"structure_string": "Al4 Cd2 Br16\n1.0\n7.427626 0.000000 0.000000\n0.000000 7.627668 0.000000\n0.000000 0.672159 14.047346\nAl Cd Br\n4 2 16\ndirect\n0.931733 0.220947 0.579224 Al\n0.068267 0.220947 0.079224 Al\n0.571306 0.639704 0.776382 Al\n0.428694 0.639704 0.276382 Al\n0.753840 0.076729 0.814301 Cd\n0.246160 0.076729 0.314301 Cd\n0.417923 0.614243 0.639282 Br\n0.582077 0.614243 0.139282 Br\n0.873015 0.736189 0.761249 Br\n0.126985 0.736189 0.261249 Br\n0.939763 0.481129 0.494155 Br\n0.060237 0.481129 0.994155 Br\n0.914807 0.001649 0.997109 Br\n0.085193 0.001649 0.497109 Br\n0.637022 0.127059 0.619219 Br\n0.362978 0.127059 0.119219 Br\n0.563532 0.374660 0.872512 Br\n0.436468 0.374660 0.372512 Br\n0.446886 0.866775 0.866028 Br\n0.553114 0.866775 0.366028 Br\n0.936132 0.228316 0.232740 Br\n0.063868 0.228316 0.732740 Br\n",
"nsites": 22,
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"elements": [
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],
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"volume": 795.8589218396359,
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"formula_full": "Al4 Cd2 Br16",
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"updated_at": "2021-11-28T01:35:13.959000Z",
"spacegroup": 7
},
{
"id": "mp-28361",
"created_at": "2022-09-04T14:45:37.504322Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n7.107631 0.000000 0.000000\n0.000000 7.191469 0.000000\n0.000000 0.539494 13.219186\nAl Cd Cl\n4 2 16\ndirect\n0.924674 0.436790 0.541256 Al\n0.435126 0.853719 0.241499 Al\n0.564874 0.853719 0.741499 Al\n0.075326 0.436790 0.041256 Al\n0.743284 0.996876 0.503937 Cd\n0.256716 0.996876 0.003937 Cd\n0.926327 0.464303 0.176659 Cl\n0.073673 0.464303 0.676659 Cl\n0.633298 0.344823 0.558507 Cl\n0.366702 0.344823 0.058507 Cl\n0.928915 0.695692 0.446534 Cl\n0.071085 0.695692 0.946534 Cl\n0.437970 0.848141 0.589585 Cl\n0.562030 0.848141 0.089585 Cl\n0.041195 0.210731 0.453035 Cl\n0.958805 0.210731 0.953035 Cl\n0.151177 0.949932 0.202770 Cl\n0.848823 0.949932 0.702770 Cl\n0.438240 0.597441 0.322726 Cl\n0.561760 0.597441 0.822726 Cl\n0.583037 0.070152 0.322493 Cl\n0.416963 0.070152 0.822493 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Cd",
"Cl"
],
"chemical_system": "Al-Cd-Cl",
"density": 2.2117831863254502,
"density_atomic": 0.03255933168147719,
"volume": 675.6895447124816,
"volume_molar": 18.49589794690399,
"formula_full": "Al4 Cd2 Cl16",
"formula_reduced": "Al2CdCl8",
"formula_anonymous": "AB2C8",
"energy": -87.18158038,
"energy_per_atom": -3.962799108181818,
"energy_above_hull": null,
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"energy_uncorrected": -77.35758038,
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"updated_at": "2021-11-28T01:37:09.881000Z",
"spacegroup": 7
},
{
"id": "mp-36866",
"created_at": "2022-09-04T14:48:19.158558Z",
"structure_string": "Al4 Cd2 O8\n1.0\n0.000000 4.238678 4.238678\n4.238678 0.000000 4.238678\n4.238678 4.238678 0.000000\nAl Cd O\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.125000 0.125000 0.125000 Al\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.936353 0.354549 0.354549 O\n0.354549 0.936353 0.354549 O\n0.354549 0.354549 0.936353 O\n0.354549 0.354549 0.354549 O\n0.313647 0.895451 0.895451 O\n0.895451 0.313647 0.895451 O\n0.895451 0.895451 0.313647 O\n0.895451 0.895451 0.895451 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"O"
],
"chemical_system": "Al-Cd-O",
"density": 5.023274422650056,
"density_atomic": 0.09191931151956859,
"volume": 152.3074941332601,
"volume_molar": 6.551551203381189,
"formula_full": "Al4 Cd2 O8",
"formula_reduced": "Al2CdO4",
"formula_anonymous": "AB2C4",
"energy": -95.97082572,
"energy_per_atom": -6.85505898,
"energy_above_hull": null,
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"energy_uncorrected": -90.47482572,
"band_gap": 2.676,
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"total_magnetization": 5.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.841000Z",
"spacegroup": 227
},
{
"id": "mp-9993",
"created_at": "2022-09-04T14:44:47.678360Z",
"structure_string": "Al4 Cd2 S8\n1.0\n0.000000 5.187325 5.187325\n5.187325 0.000000 5.187325\n5.187325 5.187325 0.000000\nAl Cd S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cd\n0.330806 0.889731 0.889731 S\n0.360269 0.360269 0.360269 S\n0.889731 0.889731 0.889731 S\n0.919194 0.360269 0.360269 S\n0.360269 0.919194 0.360269 S\n0.360269 0.360269 0.919194 S\n0.889731 0.330806 0.889731 S\n0.889731 0.889731 0.330806 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.505110367362761,
"density_atomic": 0.05014962204521906,
"volume": 279.16461638287996,
"volume_molar": 12.008347250493609,
"formula_full": "Al4 Cd2 S8",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy": -67.19805013,
"energy_per_atom": -4.799860723571428,
"energy_above_hull": null,
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"energy_uncorrected": -63.17405013,
"band_gap": 2.4622999999999995,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.853000Z",
"spacegroup": 227
},
{
"id": "mp-5928",
"created_at": "2022-09-04T14:41:05.594973Z",
"structure_string": "Al2 Cd1 S4\n1.0\n-2.819748 2.819748 5.127764\n2.819748 -2.819748 5.127764\n2.819748 2.819748 -5.127764\nAl Cd S\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Cd\n0.101664 0.646377 0.016321 S\n0.630056 0.085343 0.983679 S\n0.353623 0.369944 0.455287 S\n0.914657 0.898336 0.544713 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"S"
],
"chemical_system": "Al-Cd-S",
"density": 3.0000152210401643,
"density_atomic": 0.04292293642618353,
"volume": 163.08297108326244,
"volume_molar": 14.030122963177371,
"formula_full": "Al2 Cd1 S4",
"formula_reduced": "Al2CdS4",
"formula_anonymous": "AB2C4",
"energy": -33.74516239,
"energy_per_atom": -4.820737484285714,
"energy_above_hull": null,
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"total_magnetization": 2.61e-05,
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"updated_at": "2021-11-28T01:35:15.183000Z",
"spacegroup": 82
},
{
"id": "mp-3159",
"created_at": "2022-09-04T14:40:15.555346Z",
"structure_string": "Al2 Cd1 Se4\n1.0\n-2.939618 2.939618 5.441572\n2.939618 -2.939618 5.441572\n2.939618 2.939618 -5.441572\nAl Cd Se\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cd\n0.132208 0.592988 0.999040 Se\n0.593947 0.133167 0.000960 Se\n0.407012 0.406053 0.539220 Se\n0.866833 0.867792 0.460780 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.257187857187697,
"density_atomic": 0.03721618678747434,
"volume": 188.0901995675697,
"volume_molar": 16.181509391034226,
"formula_full": "Al2 Cd1 Se4",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -29.96322655,
"energy_per_atom": -4.280460935714286,
"energy_above_hull": null,
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"band_gap": 2.0047,
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"total_magnetization": 0.0001379,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.352000Z",
"spacegroup": 82
},
{
"id": "mp-3807",
"created_at": "2022-09-04T14:45:53.992553Z",
"structure_string": "Al4 Cd2 Se8\n1.0\n0.000000 5.485243 5.485243\n5.485243 0.000000 5.485243\n5.485243 5.485243 0.000000\nAl Cd Se\n4 2 8\ndirect\n0.125000 0.125000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.360983 0.360983 0.917051 Se\n0.889017 0.332949 0.889017 Se\n0.360983 0.917051 0.360983 Se\n0.889017 0.889017 0.332949 Se\n0.332949 0.889017 0.889017 Se\n0.889017 0.889017 0.889017 Se\n0.917051 0.360983 0.360983 Se\n0.360983 0.360983 0.360983 Se\n",
"nsites": 14,
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"elements": [
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"Cd",
"Se"
],
"chemical_system": "Al-Cd-Se",
"density": 4.851782976515487,
"density_atomic": 0.042414116445772726,
"volume": 330.07878445138124,
"volume_molar": 14.198435013256553,
"formula_full": "Al4 Cd2 Se8",
"formula_reduced": "Al2CdSe4",
"formula_anonymous": "AB2C4",
"energy": -59.281807150000006,
"energy_per_atom": -4.234414796428572,
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"updated_at": "2021-11-28T01:37:10.471000Z",
"spacegroup": 227
},
{
"id": "mp-686541",
"created_at": "2022-09-04T14:41:48.336016Z",
"structure_string": "Al4 Cd2 Si20 O48\n1.0\n12.467963 0.000000 0.000000\n-4.205784 11.746142 0.000000\n-4.186051 -5.749713 10.264930\nAl Cd Si O\n4 2 20 48\ndirect\n0.146624 0.593434 0.297564 Al\n0.149905 0.297245 0.591635 Al\n0.453087 0.149511 0.851838 Al\n0.583539 0.149065 0.292259 Al\n0.348111 0.339986 0.903286 Cd\n0.062289 0.421774 0.421606 Cd\n0.703253 0.858293 0.307354 Si\n0.300674 0.846160 0.700333 Si\n0.395097 0.694636 0.549987 Si\n0.548597 0.700810 0.399257 Si\n0.452275 0.844986 0.147929 Si\n0.152913 0.846242 0.455929 Si\n0.303074 0.590546 0.148374 Si\n0.312447 0.699892 0.853759 Si\n0.859675 0.711446 0.316624 Si\n0.400472 0.549516 0.696206 Si\n0.699011 0.555798 0.405849 Si\n0.844481 0.452489 0.157455 Si\n0.156812 0.450091 0.852365 Si\n0.581172 0.309636 0.149242 Si\n0.709501 0.309543 0.861004 Si\n0.854357 0.308755 0.701978 Si\n0.547652 0.391748 0.695909 Si\n0.695374 0.398278 0.550058 Si\n0.840715 0.160946 0.441889 Si\n0.299736 0.146200 0.594003 Si\n0.371788 0.990832 0.817536 O\n0.650794 0.828845 0.405268 O\n0.400196 0.820919 0.648620 O\n0.490635 0.986540 0.247282 O\n0.261848 0.996396 0.510552 O\n0.483302 0.742963 0.486645 O\n0.169925 0.812815 0.576174 O\n0.579201 0.821166 0.175128 O\n0.341876 0.729943 0.151614 O\n0.165294 0.747372 0.347985 O\n0.240047 0.582796 0.435563 O\n0.431653 0.595008 0.247633 O\n0.007637 0.833320 0.397971 O\n0.391240 0.820962 0.998566 O\n0.183566 0.543387 0.175294 O\n0.827368 0.657174 0.411682 O\n0.410282 0.647226 0.827288 O\n0.760176 0.762163 0.260604 O\n0.249236 0.737107 0.744591 O\n0.986675 0.473929 0.261393 O\n0.260364 0.479208 0.998094 O\n0.624676 0.629767 0.452573 O\n0.456452 0.628309 0.628621 O\n0.188784 0.578960 0.836368 O\n0.844765 0.591259 0.197466 O\n0.187943 0.349603 0.759396 O\n0.726871 0.348745 0.161639 O\n0.244012 0.439050 0.589779 O\n0.594057 0.439554 0.254432 O\n0.006890 0.381035 0.818904 O\n0.830430 0.399954 0.013575 O\n0.651455 0.402755 0.826145 O\n0.827068 0.410379 0.657006 O\n0.765487 0.260132 0.764659 O\n0.994064 0.266738 0.483218 O\n0.478674 0.275331 0.999847 O\n0.483050 0.480710 0.742685 O\n0.752269 0.503632 0.503747 O\n0.622464 0.447875 0.626194 O\n0.596109 0.185901 0.845220 O\n0.834689 0.189949 0.577958 O\n0.344279 0.183123 0.748371 O\n0.748683 0.186246 0.341010 O\n0.428422 0.241476 0.594956 O\n0.594001 0.253996 0.432031 O\n0.816612 0.011292 0.382773 O\n0.179932 0.171932 0.540531 O\n0.528916 0.185200 0.166720 O\n",
"nsites": 74,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 1.836308111591182,
"density_atomic": 0.049224915133690365,
"volume": 1503.3037598749083,
"volume_molar": 12.233928171626943,
"formula_full": "Al4 Cd2 Si20 O48",
"formula_reduced": "Al2Cd(Si5O12)2",
"formula_anonymous": "AB2C10D24",
"energy": -595.3621116799999,
"energy_per_atom": -8.04543394162162,
"energy_above_hull": null,
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"total_magnetization": 9.4e-06,
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"updated_at": "2021-11-28T01:35:24.095000Z",
"spacegroup": 1
},
{
"id": "mp-7909",
"created_at": "2022-09-04T14:44:10.354582Z",
"structure_string": "Al2 Cd1 Te4\n1.0\n-3.145211 3.145211 5.978256\n3.145211 -3.145211 5.978256\n3.145211 3.145211 -5.978256\nAl Cd Te\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cd\n0.410134 0.880163 0.015454 Te\n0.119837 0.135291 0.529971 Te\n0.605320 0.589866 0.470029 Te\n0.864709 0.394680 0.984546 Te\n",
"nsites": 7,
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"elements": [
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"Cd",
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],
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"density": 4.750712416975053,
"density_atomic": 0.029591294792922482,
"volume": 236.55605640055433,
"volume_molar": 20.35105527535196,
"formula_full": "Al2 Cd1 Te4",
"formula_reduced": "Al2CdTe4",
"formula_anonymous": "AB2C4",
"energy": -25.92639571,
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"updated_at": "2021-11-28T01:36:34.100000Z",
"spacegroup": 82
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{
"id": "mp-772624",
"created_at": "2022-09-04T14:45:05.353983Z",
"structure_string": "Al8 C4 O4\n1.0\n5.119482 0.000000 0.000000\n0.000000 5.640625 0.000000\n0.000000 0.000000 6.316146\nAl C O\n8 4 4\ndirect\n0.104290 0.419446 0.882426 Al\n0.598291 0.077953 0.865936 Al\n0.104290 0.919446 0.617574 Al\n0.598291 0.577953 0.634064 Al\n0.098291 0.422047 0.365936 Al\n0.604290 0.080554 0.382426 Al\n0.098291 0.922047 0.134064 Al\n0.604290 0.580554 0.117574 Al\n0.482752 0.399626 0.876430 C\n0.482752 0.899626 0.623570 C\n0.982752 0.100374 0.376430 C\n0.982752 0.600374 0.123570 C\n0.980665 0.079397 0.876084 O\n0.980665 0.579397 0.623916 O\n0.480665 0.420603 0.376084 O\n0.480665 0.920603 0.123916 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.9852138537327293,
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"volume": 182.39184168828578,
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"formula_full": "Al8 C4 O4",
"formula_reduced": "Al2CO",
"formula_anonymous": "ABC2",
"energy": -109.44076308,
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"spacegroup": 33
},
{
"id": "mp-1228951",
"created_at": "2022-09-04T14:40:10.964883Z",
"structure_string": "Al2 C1 O1\n1.0\n1.740864 -3.015265 0.000000\n1.740864 3.015265 0.000000\n0.000000 0.000000 4.087610\nAl C O\n2 1 1\ndirect\n0.333333 0.666667 0.000000 Al\n0.666667 0.333333 0.500000 Al\n0.333333 0.666667 0.500000 C\n0.666667 0.333333 0.000000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"C",
"O"
],
"chemical_system": "Al-C-O",
"density": 3.1719847160868366,
"density_atomic": 0.09321165341115926,
"volume": 42.913089228831566,
"volume_molar": 6.460716594561588,
"formula_full": "Al2 C1 O1",
"formula_reduced": "Al2CO",
"formula_anonymous": "ABC2",
"energy": -27.08638245,
"energy_per_atom": -6.7715956125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.39938245,
"band_gap": 1.7595999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.312000Z",
"spacegroup": 187
},
{
"id": "mp-1376528",
"created_at": "2022-09-04T14:48:14.707801Z",
"structure_string": "Al4 Co4 O14\n1.0\n0.000000 4.618749 4.618749\n4.618749 0.000000 4.618749\n4.618749 4.618749 0.000000\nAl Co O\n4 4 14\ndirect\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n0.125000 0.125000 0.625000 Co\n0.125000 0.625000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.750000 0.750000 0.750000 O\n0.500000 0.500000 0.500000 O\n0.032821 0.467179 0.032821 O\n0.782821 0.217179 0.782821 O\n0.032821 0.032821 0.467179 O\n0.467179 0.032821 0.032821 O\n0.032821 0.467179 0.467179 O\n0.467179 0.467179 0.032821 O\n0.467179 0.032821 0.467179 O\n0.217179 0.782821 0.782821 O\n0.782821 0.217179 0.217179 O\n0.217179 0.782821 0.217179 O\n0.782821 0.782821 0.217179 O\n0.217179 0.217179 0.782821 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-O",
"density": 4.78329391829804,
"density_atomic": 0.11163994144435739,
"volume": 197.06208831151213,
"volume_molar": 5.394252883052167,
"formula_full": "Al4 Co4 O14",
"formula_reduced": "Al2Co2O7",
"formula_anonymous": "A2B2C7",
"energy": -153.35471328,
"energy_per_atom": -6.970668785454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.18471328,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.000203,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.691000Z",
"spacegroup": 227
}
]
}