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=volume_molar&page=10194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10192",
"results": [
{
"id": "mp-1213158",
"created_at": "2022-09-04T14:39:45.405613Z",
"structure_string": "Er10 Si4 Sb4\n1.0\n3.889499 -7.499965 0.000000\n3.889499 7.499965 0.000000\n0.000000 0.000000 7.797621\nEr Si Sb\n10 4 4\ndirect\n0.038656 0.290291 0.336343 Er\n0.961344 0.709709 0.663657 Er\n0.461344 0.209709 0.836343 Er\n0.790291 0.538656 0.163657 Er\n0.538656 0.790291 0.163657 Er\n0.209709 0.461344 0.836343 Er\n0.709709 0.961344 0.663657 Er\n0.290291 0.038656 0.336343 Er\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.364844 0.364844 0.134102 Si\n0.635156 0.635156 0.865898 Si\n0.135156 0.135156 0.634102 Si\n0.864844 0.864844 0.365898 Si\n0.794550 0.205450 0.000000 Sb\n0.205451 0.794550 0.000000 Sb\n0.705450 0.294550 0.500000 Sb\n0.294550 0.705450 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Er",
"Si",
"Sb"
],
"chemical_system": "Er-Sb-Si",
"density": 8.292911926815485,
"density_atomic": 0.03956648643182382,
"volume": 454.9304632094493,
"volume_molar": 15.220307141440584,
"formula_full": "Er10 Si4 Sb4",
"formula_reduced": "Er5(SiSb)2",
"formula_anonymous": "A2B2C5",
"energy": -100.95608563000002,
"energy_per_atom": -5.6086714238888895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.18808563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.088000Z",
"spacegroup": 64
},
{
"id": "mp-863667",
"created_at": "2022-09-04T14:45:28.314770Z",
"structure_string": "Er2 Tl1 Ag1\n1.0\n0.000000 3.697482 3.697482\n3.697482 0.000000 3.697482\n3.697482 3.697482 0.000000\nEr Tl Ag\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Tl",
"Ag"
],
"chemical_system": "Ag-Er-Tl",
"density": 10.623079410036643,
"density_atomic": 0.03956505650560601,
"volume": 101.09931220326291,
"volume_molar": 15.220857220680873,
"formula_full": "Er2 Tl1 Ag1",
"formula_reduced": "Er2TlAg",
"formula_anonymous": "ABC2",
"energy": -15.69238042,
"energy_per_atom": -3.923095105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.69238042,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001648,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.632000Z",
"spacegroup": 225
},
{
"id": "mp-1185905",
"created_at": "2022-09-04T14:40:37.019643Z",
"structure_string": "Mg2 In4\n1.0\n1.716643 5.802909 0.000000\n-1.716643 5.802909 0.000000\n0.000000 2.974585 7.611832\nMg In\n2 4\ndirect\n0.194117 0.194117 0.360836 Mg\n0.805883 0.805883 0.639164 Mg\n0.140664 0.140664 0.966761 In\n0.859336 0.859336 0.033239 In\n0.472222 0.472222 0.312825 In\n0.527778 0.527778 0.687175 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 5.561180374588454,
"density_atomic": 0.039564557537886395,
"volume": 151.6508808231836,
"volume_molar": 15.221049178253272,
"formula_full": "Mg2 In4",
"formula_reduced": "MgIn2",
"formula_anonymous": "AB2",
"energy": -14.3421785,
"energy_per_atom": -2.3903630833333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.3421785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.362000Z",
"spacegroup": 12
},
{
"id": "mp-1227429",
"created_at": "2022-09-04T14:42:09.494434Z",
"structure_string": "Ca10 Si6 F1\n1.0\n-3.814520 3.814520 7.382613\n3.814520 -3.814520 7.382613\n3.814520 3.814520 -7.382613\nCa Si F\n10 6 1\ndirect\n0.769507 0.432934 0.000000 Ca\n0.432934 0.769508 0.000000 Ca\n0.929964 0.929964 0.644106 Ca\n0.285858 0.285858 0.355894 Ca\n0.714142 0.070036 0.000000 Ca\n0.070036 0.714142 0.000000 Ca\n0.567066 0.567066 0.336573 Ca\n0.230492 0.230492 0.663427 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Ca\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.135643 0.360213 0.000000 Si\n0.360213 0.135643 0.000000 Si\n0.864357 0.864357 0.224570 Si\n0.639787 0.639787 0.775430 Si\n0.500000 0.500000 0.000000 F\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"Si",
"F"
],
"chemical_system": "Ca-F-Si",
"density": 2.2734830070565373,
"density_atomic": 0.03956389443084708,
"volume": 429.68469723611133,
"volume_molar": 15.221304289257914,
"formula_full": "Ca10 Si6 F1",
"formula_reduced": "Ca10Si6F",
"formula_anonymous": "AB6C10",
"energy": -68.28636255,
"energy_per_atom": -4.016844855882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.82436255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9709979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.377000Z",
"spacegroup": 121
},
{
"id": "mp-1226935",
"created_at": "2022-09-04T14:44:19.113456Z",
"structure_string": "Ce2 Ag2 P4 Se12\n1.0\n7.501010 0.000000 0.000000\n0.000000 6.763372 0.000000\n0.000000 6.424785 9.964544\nCe Ag P Se\n2 2 4 12\ndirect\n0.138219 0.715918 0.244674 Ce\n0.861781 0.715918 0.744674 Ce\n0.677851 0.288950 0.260935 Ag\n0.322149 0.288950 0.760935 Ag\n0.641013 0.629695 0.435057 P\n0.143887 0.371813 0.061710 P\n0.856113 0.371813 0.561710 P\n0.358987 0.629695 0.935057 P\n0.452635 0.399446 0.415032 Se\n0.928159 0.598430 0.061750 Se\n0.071841 0.598430 0.561750 Se\n0.547365 0.399446 0.915032 Se\n0.538175 0.757225 0.557765 Se\n0.041012 0.204381 0.957296 Se\n0.958988 0.204381 0.457296 Se\n0.461825 0.757225 0.057765 Se\n0.765328 0.904364 0.240516 Se\n0.268407 0.125068 0.258775 Se\n0.731593 0.125068 0.758775 Se\n0.234672 0.904364 0.740516 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ce",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Ce-P-Se",
"density": 5.148537790119446,
"density_atomic": 0.039563030132232675,
"volume": 505.52245197482125,
"volume_molar": 15.221636815663567,
"formula_full": "Ce2 Ag2 P4 Se12",
"formula_reduced": "CeAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy": -97.04736595,
"energy_per_atom": -4.8523682975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.38336595,
"band_gap": 0.1197999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.889000Z",
"spacegroup": 7
},
{
"id": "mp-570707",
"created_at": "2022-09-04T14:44:00.161238Z",
"structure_string": "Nd4 Se8\n1.0\n4.200399 0.000000 0.000000\n0.000000 8.443633 0.000000\n0.000000 0.030170 8.552363\nNd Se\n4 8\ndirect\n0.277304 0.626720 0.725422 Nd\n0.722696 0.373280 0.274578 Nd\n0.222696 0.126720 0.725422 Nd\n0.777304 0.873280 0.274578 Nd\n0.185304 0.381115 0.002076 Se\n0.756949 0.874719 0.632209 Se\n0.243051 0.125281 0.367791 Se\n0.256949 0.625281 0.367791 Se\n0.685304 0.118885 0.997924 Se\n0.743051 0.374719 0.632209 Se\n0.814696 0.618885 0.997924 Se\n0.314696 0.881115 0.002076 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Nd",
"Se"
],
"chemical_system": "Nd-Se",
"density": 6.616722396283073,
"density_atomic": 0.03956172548569779,
"volume": 303.32347370283924,
"volume_molar": 15.222138787088802,
"formula_full": "Nd4 Se8",
"formula_reduced": "NdSe2",
"formula_anonymous": "AB2",
"energy": -70.31633796999999,
"energy_per_atom": -5.859694830833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.54033797,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.318000Z",
"spacegroup": 14
},
{
"id": "mp-1112377",
"created_at": "2022-09-04T14:40:27.893604Z",
"structure_string": "K2 Ta1 Cu1 Cl6\n1.0\n7.097172 -0.000000 -0.000000\n3.548587 6.146332 -0.000000\n3.548587 2.048777 5.794817\nK Ta Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Cu\n0.252419 0.747581 0.252419 Cl\n0.747581 0.747581 0.252419 Cl\n0.747581 0.252419 0.747581 Cl\n0.747581 0.252419 0.252419 Cl\n0.252419 0.747581 0.747581 Cl\n0.252419 0.252419 0.747581 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ta",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Ta",
"density": 3.517169282036604,
"density_atomic": 0.03956024099672876,
"volume": 252.77904653884443,
"volume_molar": 15.22270999435512,
"formula_full": "K2 Ta1 Cu1 Cl6",
"formula_reduced": "K2TaCuCl6",
"formula_anonymous": "ABC2D6",
"energy": -44.96808656,
"energy_per_atom": -4.496808656000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.28408655999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.532000Z",
"spacegroup": 225
},
{
"id": "mp-2468",
"created_at": "2022-09-04T14:41:26.056637Z",
"structure_string": "Er1 Hg1\n1.0\n3.697645 0.000000 0.000000\n0.000000 3.697645 0.000000\n0.000000 0.000000 3.697645\nEr Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Er",
"Hg"
],
"chemical_system": "Er-Hg",
"density": 12.082116992577475,
"density_atomic": 0.03955982440253137,
"volume": 50.55634169781661,
"volume_molar": 15.222870300745452,
"formula_full": "Er1 Hg1",
"formula_reduced": "ErHg",
"formula_anonymous": "AB",
"energy": -5.84137199,
"energy_per_atom": -2.920685995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.84137199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.861000Z",
"spacegroup": 221
},
{
"id": "mp-1094753",
"created_at": "2022-09-04T14:41:59.750030Z",
"structure_string": "Mg2 Sn2\n1.0\n1.667956 -2.888984 0.000000\n1.667956 2.888984 0.000000\n0.000000 0.000000 10.492025\nMg Sn\n2 2\ndirect\n0.666667 0.333333 0.880686 Mg\n0.333333 0.666667 0.119314 Mg\n0.333333 0.666667 0.640214 Sn\n0.666667 0.333333 0.359786 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.697228038803279,
"density_atomic": 0.03955860356083991,
"volume": 101.11580389454657,
"volume_molar": 15.223340102837891,
"formula_full": "Mg2 Sn2",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -11.21821578,
"energy_per_atom": -2.804553945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.21821578,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.759000Z",
"spacegroup": 164
},
{
"id": "mp-1198785",
"created_at": "2022-09-04T14:39:41.536085Z",
"structure_string": "Eu24 Sb24 S68\n1.0\n8.306036 0.000000 0.000000\n0.000000 15.406636 0.000000\n0.000000 0.000000 22.915907\nEu Sb S\n24 24 68\ndirect\n0.248897 0.050365 0.287159 Eu\n0.251103 0.949635 0.787159 Eu\n0.748897 0.449635 0.712841 Eu\n0.751103 0.550365 0.212841 Eu\n0.746446 0.055520 0.288710 Eu\n0.753554 0.944480 0.788710 Eu\n0.246446 0.444480 0.711290 Eu\n0.253554 0.555520 0.211290 Eu\n0.742667 0.941801 0.456179 Eu\n0.757333 0.058199 0.956179 Eu\n0.242667 0.558199 0.543821 Eu\n0.257333 0.441801 0.043821 Eu\n0.249409 0.939002 0.454781 Eu\n0.250591 0.060998 0.954781 Eu\n0.749409 0.560998 0.545219 Eu\n0.750591 0.439002 0.045219 Eu\n0.243974 0.833926 0.622740 Eu\n0.256026 0.166074 0.122740 Eu\n0.743974 0.666074 0.377260 Eu\n0.756026 0.333926 0.877260 Eu\n0.750365 0.833375 0.623859 Eu\n0.749635 0.166625 0.123859 Eu\n0.250365 0.666625 0.376141 Eu\n0.249635 0.333375 0.876141 Eu\n0.022490 0.293918 0.267955 Sb\n0.477510 0.706082 0.767955 Sb\n0.522490 0.206082 0.732045 Sb\n0.977510 0.793918 0.232045 Sb\n0.988221 0.182622 0.415121 Sb\n0.511779 0.817378 0.915121 Sb\n0.488221 0.317378 0.584879 Sb\n0.011779 0.682622 0.084879 Sb\n0.506006 0.175613 0.440241 Sb\n0.993994 0.824387 0.940241 Sb\n0.006006 0.324387 0.559759 Sb\n0.493994 0.675613 0.059759 Sb\n0.466720 0.078157 0.592534 Sb\n0.033280 0.921843 0.092534 Sb\n0.966720 0.421843 0.407466 Sb\n0.533280 0.578157 0.907466 Sb\n0.980631 0.072959 0.608153 Sb\n0.519369 0.927041 0.108153 Sb\n0.480631 0.427041 0.391847 Sb\n0.019369 0.572959 0.891847 Sb\n0.000028 0.690939 0.750570 Sb\n0.499972 0.309061 0.250570 Sb\n0.500028 0.809061 0.249430 Sb\n0.999972 0.190939 0.749430 Sb\n0.498576 0.703768 0.572230 S\n0.001424 0.296232 0.072230 S\n0.998576 0.796232 0.427770 S\n0.501424 0.203768 0.927770 S\n0.641544 0.748645 0.501561 S\n0.858456 0.251355 0.001561 S\n0.141544 0.751355 0.498439 S\n0.358456 0.248645 0.998439 S\n0.503415 0.794091 0.429908 S\n0.996585 0.205909 0.929908 S\n0.003415 0.705909 0.570092 S\n0.496585 0.294091 0.070092 S\n0.999678 0.150144 0.218228 S\n0.500322 0.849856 0.718228 S\n0.499678 0.349856 0.781772 S\n0.000322 0.650144 0.281772 S\n0.216422 0.231180 0.342898 S\n0.283578 0.768820 0.842898 S\n0.716422 0.268820 0.657102 S\n0.783578 0.731180 0.157102 S\n0.769358 0.229514 0.349609 S\n0.730642 0.770486 0.849609 S\n0.269358 0.270486 0.650391 S\n0.230642 0.729514 0.150391 S\n0.997216 0.028152 0.380254 S\n0.502784 0.971848 0.880254 S\n0.497216 0.471848 0.619746 S\n0.002784 0.528152 0.119746 S\n0.496024 0.036905 0.382320 S\n0.003976 0.963095 0.882320 S\n0.996024 0.463095 0.617680 S\n0.503976 0.536905 0.117680 S\n0.725011 0.125648 0.504954 S\n0.774989 0.874352 0.004954 S\n0.225011 0.374352 0.495046 S\n0.274989 0.625648 0.995046 S\n0.275295 0.122943 0.509257 S\n0.224705 0.877057 0.009257 S\n0.775295 0.377057 0.490743 S\n0.724705 0.622943 0.990743 S\n0.492763 0.930264 0.553137 S\n0.007237 0.069736 0.053137 S\n0.992763 0.569736 0.446863 S\n0.507237 0.430264 0.946863 S\n0.990834 0.936555 0.550320 S\n0.509166 0.063445 0.050320 S\n0.490834 0.563445 0.449680 S\n0.009166 0.436555 0.949680 S\n0.233142 0.025256 0.664271 S\n0.266858 0.974744 0.164271 S\n0.733142 0.474744 0.335729 S\n0.766858 0.525256 0.835729 S\n0.756609 0.021484 0.670301 S\n0.743391 0.978516 0.170301 S\n0.256609 0.478516 0.329699 S\n0.243391 0.521484 0.829699 S\n0.251622 0.653384 0.691799 S\n0.248378 0.346616 0.191799 S\n0.751622 0.846616 0.308201 S\n0.748378 0.153384 0.808201 S\n0.787149 0.645523 0.681955 S\n0.712851 0.354477 0.181955 S\n0.287149 0.854477 0.318045 S\n0.212851 0.145523 0.818045 S\n0.001687 0.846540 0.719999 S\n0.498313 0.153460 0.219999 S\n0.501687 0.653460 0.280001 S\n0.998313 0.346540 0.780001 S\n",
"nsites": 116,
"nelements": 3,
"elements": [
"Eu",
"Sb",
"S"
],
"chemical_system": "Eu-S-Sb",
"density": 4.954597086834884,
"density_atomic": 0.03955663200436607,
"volume": 2932.5044656783843,
"volume_molar": 15.22409885486536,
"formula_full": "Eu24 Sb24 S68",
"formula_reduced": "Eu6Sb6S17",
"formula_anonymous": "A6B6C17",
"energy": -781.5479256,
"energy_per_atom": -6.737482117241379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -747.3439256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 167.0027609,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.533000Z",
"spacegroup": 19
},
{
"id": "mp-1016280",
"created_at": "2022-09-04T14:41:47.812032Z",
"structure_string": "Sr2 Mg12 Cr2\n1.0\n5.256524 0.000000 0.000000\n0.000000 6.631111 0.000000\n0.000000 0.000000 11.604274\nSr Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.166540 Sr\n0.500000 0.500000 0.666540 Sr\n0.500000 0.245220 0.418285 Mg\n0.500000 0.754780 0.418285 Mg\n0.000000 0.730939 0.081276 Mg\n0.000000 0.269061 0.081276 Mg\n0.000000 0.000000 0.340985 Mg\n0.000000 0.500000 0.328631 Mg\n0.500000 0.745220 0.918285 Mg\n0.500000 0.254780 0.918285 Mg\n0.000000 0.230939 0.581276 Mg\n0.000000 0.769061 0.581276 Mg\n0.000000 0.500000 0.840985 Mg\n0.000000 0.000000 0.828631 Mg\n0.500000 0.500000 0.164718 Cr\n0.500000 0.000000 0.664718 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cr"
],
"chemical_system": "Cr-Mg-Sr",
"density": 2.343690624049303,
"density_atomic": 0.03955642719461125,
"volume": 404.4854688539634,
"volume_molar": 15.224177680082272,
"formula_full": "Sr2 Mg12 Cr2",
"formula_reduced": "SrMg6Cr",
"formula_anonymous": "ABC6",
"energy": -38.22965828,
"energy_per_atom": -2.3893536425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.22965828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.969261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.058000Z",
"spacegroup": 38
},
{
"id": "mp-541441",
"created_at": "2022-09-04T14:46:18.772385Z",
"structure_string": "Zn2 Te2\n1.0\n2.770696 -3.357717 0.000000\n2.770696 3.357717 0.000000\n0.000000 0.000000 5.434806\nZn Te\n2 2\ndirect\n0.630296 0.369704 0.250000 Zn\n0.369704 0.630296 0.750000 Zn\n0.225043 0.774957 0.250000 Te\n0.774957 0.225043 0.750000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Te"
],
"chemical_system": "Te-Zn",
"density": 6.338837881636161,
"density_atomic": 0.0395560559261227,
"volume": 101.12231632675017,
"volume_molar": 15.224320572423391,
"formula_full": "Zn2 Te2",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy": -10.48024535,
"energy_per_atom": -2.6200613375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.63624535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.953000Z",
"spacegroup": 63
}
]
}