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_theoretical&page=35",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=33",
"results": [
{
"id": "mp-867783",
"created_at": "2022-09-04T14:40:16.046607Z",
"structure_string": "Li6 Fe5 Cu1 O12\n1.0\n4.485290 2.579189 0.000000\n-4.485290 2.579189 0.000000\n0.000000 0.068643 10.160917\nLi Fe Cu O\n6 5 1 12\ndirect\n0.984742 0.662949 0.274811 Li\n0.662949 0.984743 0.274811 Li\n0.694122 0.694122 0.721797 Li\n0.305878 0.305878 0.278203 Li\n0.337051 0.015257 0.725189 Li\n0.015257 0.337051 0.725189 Li\n0.500000 0.500000 0.000000 Fe\n0.663455 0.336545 0.500000 Fe\n0.336545 0.663455 0.500000 Fe\n0.832486 0.167514 0.000000 Fe\n0.167514 0.832486 0.000000 Fe\n0.000000 0.000000 0.500000 Cu\n0.843865 0.843865 0.894947 O\n0.841438 0.510235 0.101797 O\n0.510235 0.841438 0.101797 O\n0.992087 0.329292 0.388991 O\n0.329292 0.992087 0.388991 O\n0.635397 0.635397 0.379183 O\n0.364603 0.364603 0.620817 O\n0.670708 0.007913 0.611009 O\n0.007913 0.670708 0.611009 O\n0.489765 0.158562 0.898203 O\n0.158562 0.489765 0.898203 O\n0.156135 0.156135 0.105053 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.071400804532931,
"density_atomic": 0.10208798841552373,
"volume": 235.09132046283426,
"volume_molar": 5.898970930339401,
"formula_full": "Li6 Fe5 Cu1 O12",
"formula_reduced": "Li6Fe5CuO12",
"formula_anonymous": "AB5C6D12",
"energy": -160.16168018,
"energy_per_atom": -6.673403340833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.63768018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.6094875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.366000Z",
"spacegroup": 12
},
{
"id": "mp-867828",
"created_at": "2022-09-04T14:40:16.835087Z",
"structure_string": "Be1 Nb1 Ru2\n1.0\n0.000000 3.026837 3.026837\n3.026837 0.000000 3.026837\n3.026837 3.026837 0.000000\nBe Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ru"
],
"chemical_system": "Be-Nb-Ru",
"density": 9.103517609590318,
"density_atomic": 0.07212119154209137,
"volume": 55.46220069957552,
"volume_molar": 8.350029486805356,
"formula_full": "Be1 Nb1 Ru2",
"formula_reduced": "BeNbRu2",
"formula_anonymous": "ABC2",
"energy": -33.49308192,
"energy_per_atom": -8.37327048,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.49308192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.877000Z",
"spacegroup": 225
},
{
"id": "mp-780097",
"created_at": "2022-09-04T14:40:16.050779Z",
"structure_string": "Fe6 O4 F8\n1.0\n3.520048 4.510182 0.000000\n-3.520048 4.510182 0.000000\n0.000000 2.705235 6.719230\nFe O F\n6 4 8\ndirect\n0.668094 0.668094 0.838253 Fe\n0.352589 0.352589 0.672268 Fe\n0.647411 0.647411 0.327732 Fe\n0.331906 0.331906 0.161747 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.226848 0.226848 0.963715 O\n0.575583 0.575583 0.626455 O\n0.773152 0.773152 0.036285 O\n0.424417 0.424417 0.373545 O\n0.630330 0.038214 0.670904 F\n0.961786 0.369670 0.329096 F\n0.895496 0.895496 0.300330 F\n0.104504 0.104504 0.699670 F\n0.369670 0.961786 0.329096 F\n0.038214 0.630330 0.670904 F\n0.707062 0.292938 0.000000 F\n0.292938 0.707062 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.288957584949212,
"density_atomic": 0.08436850414632752,
"volume": 213.34975868223358,
"volume_molar": 7.137901543869127,
"formula_full": "Fe6 O4 F8",
"formula_reduced": "Fe3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy": -124.90757201,
"energy_per_atom": -6.939309556111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.92757201,
"band_gap": 0.2646999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9985488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.235000Z",
"spacegroup": 12
},
{
"id": "mp-1039383",
"created_at": "2022-09-04T14:40:16.051200Z",
"structure_string": "Ca2 Mg6\n1.0\n3.404289 -5.896402 0.000000\n3.404289 5.896402 0.000000\n0.000000 0.000000 5.381504\nCa Mg\n2 6\ndirect\n0.333333 0.666667 0.250000 Ca\n0.666667 0.333333 0.750000 Ca\n0.839550 0.160450 0.250000 Mg\n0.839550 0.679099 0.250000 Mg\n0.320901 0.160450 0.250000 Mg\n0.679099 0.839550 0.750000 Mg\n0.160450 0.839550 0.750000 Mg\n0.160450 0.320901 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7369345868276536,
"density_atomic": 0.03702907109786746,
"volume": 216.04646735145153,
"volume_molar": 16.26327796363982,
"formula_full": "Ca2 Mg6",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
"energy": -14.04446189,
"energy_per_atom": -1.75555773625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.04446189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.271000Z",
"spacegroup": 194
},
{
"id": "mp-759551",
"created_at": "2022-09-04T14:40:15.136667Z",
"structure_string": "Fe18 O18 F18\n1.0\n3.096670 0.000000 0.000000\n0.000000 14.216297 0.000000\n0.000000 0.087038 14.240185\nFe O F\n18 18 18\ndirect\n0.000000 0.996177 0.988565 Fe\n0.000000 0.996931 0.340763 Fe\n0.000000 0.989250 0.663474 Fe\n0.500000 0.840424 0.188687 Fe\n0.500000 0.846001 0.498781 Fe\n0.500000 0.847067 0.830617 Fe\n0.000000 0.662439 0.005897 Fe\n0.000000 0.664599 0.320873 Fe\n0.000000 0.653836 0.663744 Fe\n0.500000 0.497366 0.511286 Fe\n0.500000 0.511159 0.166632 Fe\n0.500000 0.498151 0.816482 Fe\n0.000000 0.320895 0.996020 Fe\n0.000000 0.318932 0.333991 Fe\n0.000000 0.341915 0.666342 Fe\n0.500000 0.180452 0.164612 Fe\n0.500000 0.165582 0.484976 Fe\n0.500000 0.164825 0.845609 Fe\n0.500000 0.942599 0.268199 O\n0.500000 0.935858 0.602989 O\n0.500000 0.928857 0.939518 O\n0.000000 0.890798 0.434238 O\n0.000000 0.899078 0.770232 O\n0.000000 0.766665 0.230519 O\n0.500000 0.596726 0.270366 O\n0.500000 0.602298 0.600348 O\n0.000000 0.568056 0.098612 O\n0.000000 0.567224 0.772222 O\n0.000000 0.431747 0.562122 O\n0.500000 0.393457 0.732804 O\n0.500000 0.270250 0.268456 O\n0.500000 0.274512 0.928582 O\n0.000000 0.232582 0.098763 O\n0.000000 0.236898 0.441010 O\n0.000000 0.101487 0.899018 O\n0.500000 0.065212 0.399645 O\n0.000000 0.898031 0.101947 F\n0.000000 0.766830 0.569840 F\n0.000000 0.760166 0.900349 F\n0.500000 0.734453 0.059254 F\n0.500000 0.731988 0.733906 F\n0.500000 0.724539 0.402602 F\n0.500000 0.603564 0.936549 F\n0.000000 0.565706 0.434825 F\n0.000000 0.435532 0.228011 F\n0.000000 0.441854 0.903848 F\n0.500000 0.401573 0.066013 F\n0.500000 0.404979 0.393789 F\n0.500000 0.264305 0.605480 F\n0.000000 0.227544 0.764018 F\n0.000000 0.104987 0.226694 F\n0.000000 0.103548 0.570209 F\n0.500000 0.061624 0.067036 F\n0.500000 0.068471 0.730635 F\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.331268266128646,
"density_atomic": 0.08613838276061175,
"volume": 626.8982336256773,
"volume_molar": 6.991239639054064,
"formula_full": "Fe18 O18 F18",
"formula_reduced": "FeOF",
"formula_anonymous": "ABC",
"energy": -386.0745962200001,
"energy_per_atom": -7.149529559629632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -324.78459622,
"band_gap": 0.1273999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 90.0028382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.195000Z",
"spacegroup": 6
},
{
"id": "mp-1216348",
"created_at": "2022-09-04T14:40:16.066044Z",
"structure_string": "V1 Cr1 Mo1\n1.0\n-1.508964 -1.539916 1.539916\n-1.508964 1.539916 -1.539916\n1.508964 -4.414092 -4.414092\nV Cr Mo\n1 1 1\ndirect\n0.340614 0.340614 0.681229 V\n0.995730 0.995730 0.991460 Cr\n0.663656 0.663656 0.327310 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"V",
"Cr",
"Mo"
],
"chemical_system": "Cr-Mo-V",
"density": 8.049292062712777,
"density_atomic": 0.07312131155558795,
"volume": 41.02771047424873,
"volume_molar": 8.235821584548408,
"formula_full": "V1 Cr1 Mo1",
"formula_reduced": "VCrMo",
"formula_anonymous": "ABC",
"energy": -29.599629279999995,
"energy_per_atom": -9.866543093333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.599629279999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.895000Z",
"spacegroup": 42
},
{
"id": "mp-1176628",
"created_at": "2022-09-04T14:40:16.070347Z",
"structure_string": "Li2 Mn2 F8\n1.0\n5.554890 0.000000 0.000000\n0.000000 4.640812 0.000000\n0.000000 0.475314 5.316593\nLi Mn F\n2 2 8\ndirect\n0.354646 0.500000 0.750000 Li\n0.645354 0.500000 0.250000 Li\n0.845287 0.000000 0.750000 Mn\n0.154713 0.000000 0.250000 Mn\n0.097864 0.772658 0.911265 F\n0.902136 0.772658 0.411265 F\n0.619105 0.744396 0.901646 F\n0.380895 0.744396 0.401646 F\n0.619105 0.255604 0.598354 F\n0.380895 0.255604 0.098354 F\n0.097864 0.227342 0.588735 F\n0.902136 0.227342 0.088735 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.3408300771224564,
"density_atomic": 0.08755448385920256,
"volume": 137.0575151730361,
"volume_molar": 6.87816373823216,
"formula_full": "Li2 Mn2 F8",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy": -72.45128588,
"energy_per_atom": -6.037607156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.41928588,
"band_gap": 2.0991,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0005002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.473000Z",
"spacegroup": 13
},
{
"id": "mp-1021393",
"created_at": "2022-09-04T14:40:16.207048Z",
"structure_string": "K1 Mg6 Mo1\n1.0\n6.583543 0.000000 0.000000\n0.000000 6.583543 0.000000\n0.000000 0.000000 4.363796\nK Mg Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.214647 0.785353 0.000000 Mg\n0.785353 0.214647 0.000000 Mg\n0.214647 0.214647 0.000000 Mg\n0.785353 0.785353 0.000000 Mg\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Mo"
],
"chemical_system": "K-Mg-Mo",
"density": 2.465857811331381,
"density_atomic": 0.042296671683105164,
"volume": 189.14017774111272,
"volume_molar": 14.237859671604996,
"formula_full": "K1 Mg6 Mo1",
"formula_reduced": "KMg6Mo",
"formula_anonymous": "ABC6",
"energy": -18.86143187,
"energy_per_atom": -2.35767898375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.86143187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2495719,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.847000Z",
"spacegroup": 123
},
{
"id": "mp-1228453",
"created_at": "2022-09-04T14:40:16.076435Z",
"structure_string": "Ba9 Sr3 Hg12 O24\n1.0\n3.427164 -5.936022 0.000000\n3.427164 5.936022 0.000000\n0.000000 0.000000 25.397668\nBa Sr Hg O\n9 3 12 24\ndirect\n0.333333 0.666667 0.233478 Ba\n0.333333 0.666667 0.733221 Ba\n0.666667 0.333333 0.766522 Ba\n0.666667 0.333333 0.266779 Ba\n0.666667 0.333333 0.983219 Ba\n0.666667 0.333333 0.483476 Ba\n0.333333 0.666667 0.016781 Ba\n0.333333 0.666667 0.516524 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.250106 Sr\n0.000000 0.000000 0.749894 Sr\n0.170352 0.826941 0.874227 Hg\n0.169813 0.830136 0.375021 Hg\n0.173059 0.343411 0.874227 Hg\n0.169864 0.339677 0.375021 Hg\n0.656589 0.829648 0.874227 Hg\n0.660323 0.830187 0.375021 Hg\n0.826941 0.170352 0.125773 Hg\n0.830136 0.169813 0.624979 Hg\n0.343411 0.173059 0.125773 Hg\n0.339677 0.169864 0.624979 Hg\n0.829648 0.656589 0.125773 Hg\n0.830187 0.660323 0.624979 Hg\n0.665943 0.703009 0.803221 O\n0.665224 0.703434 0.303511 O\n0.296991 0.962935 0.803221 O\n0.296566 0.961789 0.303511 O\n0.037065 0.334057 0.803221 O\n0.038211 0.334776 0.303511 O\n0.703009 0.665943 0.196779 O\n0.703434 0.665224 0.696489 O\n0.962935 0.296991 0.196779 O\n0.961789 0.296566 0.696489 O\n0.334057 0.037065 0.196779 O\n0.334776 0.038211 0.696489 O\n0.350406 0.313471 0.055339 O\n0.334772 0.296489 0.553473 O\n0.686529 0.036934 0.055339 O\n0.703511 0.038283 0.553473 O\n0.963066 0.649594 0.055339 O\n0.961717 0.665228 0.553473 O\n0.313471 0.350406 0.944661 O\n0.296489 0.334772 0.446527 O\n0.036934 0.686529 0.944661 O\n0.038283 0.703511 0.446527 O\n0.649594 0.963066 0.944661 O\n0.665228 0.961717 0.446527 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Hg",
"O"
],
"chemical_system": "Ba-Hg-O-Sr",
"density": 6.893485410629989,
"density_atomic": 0.046450138245259696,
"volume": 1033.3661386874014,
"volume_molar": 12.964742382902529,
"formula_full": "Ba9 Sr3 Hg12 O24",
"formula_reduced": "Ba3Sr(HgO2)4",
"formula_anonymous": "AB3C4D8",
"energy": -236.52585091,
"energy_per_atom": -4.927621893958333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -220.03785091000003,
"band_gap": 2.2041,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0246383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.630000Z",
"spacegroup": 150
},
{
"id": "mp-1299486",
"created_at": "2022-09-04T14:40:16.078753Z",
"structure_string": "Co10 Sb2 O16\n1.0\n1.735476 4.886157 2.997668\n0.018697 -0.015492 6.009446\n9.009978 -5.034124 3.046410\nCo Sb O\n10 2 16\ndirect\n0.250000 0.500000 0.750000 Co\n0.750000 0.000000 0.250000 Co\n0.250000 0.000000 0.750000 Co\n0.250000 0.500000 0.250000 Co\n0.750000 0.500000 0.750000 Co\n0.188178 0.135196 0.046932 Co\n0.685748 0.137665 0.546418 Co\n0.311823 0.864803 0.453068 Co\n0.814252 0.862335 0.953581 Co\n0.750000 0.500000 0.250000 Co\n0.503039 0.498494 0.000085 Sb\n0.996961 0.501506 0.499915 Sb\n0.630982 0.276388 0.350106 O\n0.122297 0.265319 0.853073 O\n0.869018 0.723612 0.149894 O\n0.377703 0.734681 0.646927 O\n0.389158 0.264689 0.122242 O\n0.886799 0.264529 0.622997 O\n0.853396 0.265673 0.119801 O\n0.349386 0.265413 0.618756 O\n0.396395 0.723970 0.122575 O\n0.886163 0.729051 0.620173 O\n0.646604 0.734327 0.380199 O\n0.150614 0.734587 0.881244 O\n0.103605 0.276029 0.377425 O\n0.613837 0.270949 0.879827 O\n0.110843 0.735311 0.377758 O\n0.613201 0.735472 0.877003 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.706573350054995,
"density_atomic": 0.08837294614126799,
"volume": 316.83904659284286,
"volume_molar": 6.814461917308208,
"formula_full": "Co10 Sb2 O16",
"formula_reduced": "Co5SbO8",
"formula_anonymous": "AB5C8",
"energy": -200.24276062,
"energy_per_atom": -7.151527165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -172.87076062,
"band_gap": 0.5872999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0363321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.381000Z",
"spacegroup": 12
},
{
"id": "mp-1217261",
"created_at": "2022-09-04T14:40:35.705250Z",
"structure_string": "Th1 U1 Te2\n1.0\n4.418165 0.000000 0.000000\n0.000000 4.418165 0.000000\n0.000000 0.000000 6.250437\nTh U Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"Te"
],
"chemical_system": "Te-Th-U",
"density": 9.870809100169591,
"density_atomic": 0.03278428732903835,
"volume": 122.00966761467592,
"volume_molar": 18.368984811409796,
"formula_full": "Th1 U1 Te2",
"formula_reduced": "ThUTe2",
"formula_anonymous": "ABC2",
"energy": -28.707115440000003,
"energy_per_atom": -7.176778860000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.86311544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9184268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.200000Z",
"spacegroup": 123
},
{
"id": "mp-1111467",
"created_at": "2022-09-04T14:40:16.763943Z",
"structure_string": "Rb2 Al1 Au1 Cl6\n1.0\n0.000000 5.117886 5.117886\n5.117886 0.000000 5.117886\n5.117886 5.117886 0.000000\nRb Al Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.769115 0.230885 0.230885 Cl\n0.230885 0.230885 0.769115 Cl\n0.230885 0.769115 0.769115 Cl\n0.230885 0.769115 0.230885 Cl\n0.769115 0.230885 0.769115 Cl\n0.769115 0.769115 0.230885 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Au",
"Cl"
],
"chemical_system": "Al-Au-Cl-Rb",
"density": 3.763277674582523,
"density_atomic": 0.03729908523899822,
"volume": 268.1030898190623,
"volume_molar": 16.14554545081316,
"formula_full": "Rb2 Al1 Au1 Cl6",
"formula_reduced": "Rb2AlAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.31438606,
"energy_per_atom": -3.7314386059999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.63038606,
"band_gap": 0.8409,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.433000Z",
"spacegroup": 225
}
]
}