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=updated_at&page=12187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12185",
"results": [
{
"id": "mp-1228081",
"created_at": "2022-09-04T14:48:14.415529Z",
"structure_string": "Ba2 Hg2 Pb2\n1.0\n2.732786 6.162765 0.000000\n-2.732786 6.162765 0.000000\n0.000000 5.964972 6.187537\nBa Hg Pb\n2 2 2\ndirect\n0.464797 0.464797 0.286456 Ba\n0.535203 0.535203 0.713544 Ba\n0.839277 0.839277 0.711583 Hg\n0.160723 0.160723 0.288417 Hg\n0.164558 0.164558 0.893096 Pb\n0.835442 0.835442 0.106904 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Pb"
],
"chemical_system": "Ba-Hg-Pb",
"density": 8.686399175879387,
"density_atomic": 0.02878871061777809,
"volume": 208.41503044928933,
"volume_molar": 20.91841083108844,
"formula_full": "Ba2 Hg2 Pb2",
"formula_reduced": "BaHgPb",
"formula_anonymous": "ABC",
"energy": -14.872754020000002,
"energy_per_atom": -2.478792336666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.872754020000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:06.923000Z",
"spacegroup": 12
},
{
"id": "mp-1200492",
"created_at": "2022-09-04T14:48:15.636586Z",
"structure_string": "Sb8 I36 N12\n1.0\n8.111898 0.000000 0.000000\n0.000000 14.004825 0.000000\n0.000000 13.678950 19.200163\nSb I N\n8 36 12\ndirect\n0.994195 0.513036 0.655623 Sb\n0.505805 0.513036 0.155623 Sb\n0.005805 0.486964 0.344377 Sb\n0.494195 0.486964 0.844377 Sb\n0.980866 0.991108 0.845117 Sb\n0.519134 0.991108 0.345117 Sb\n0.019134 0.008892 0.154883 Sb\n0.480866 0.008892 0.654883 Sb\n0.793168 0.465574 0.575608 I\n0.706832 0.465574 0.075608 I\n0.206832 0.534426 0.424392 I\n0.293168 0.534426 0.924392 I\n0.291711 0.541199 0.584744 I\n0.208289 0.541199 0.084744 I\n0.708289 0.458801 0.415256 I\n0.791711 0.458801 0.915256 I\n0.172278 0.554059 0.754338 I\n0.327722 0.554059 0.254338 I\n0.827722 0.445941 0.245662 I\n0.672278 0.445941 0.745662 I\n0.100777 0.251560 0.750392 I\n0.399223 0.251560 0.250392 I\n0.899223 0.748440 0.249608 I\n0.600777 0.748440 0.749608 I\n0.910018 0.752555 0.577900 I\n0.589982 0.752555 0.077900 I\n0.089982 0.247445 0.422100 I\n0.410018 0.247445 0.922100 I\n0.814877 0.044708 0.713584 I\n0.685123 0.044708 0.213584 I\n0.185123 0.955292 0.286416 I\n0.314877 0.955292 0.786416 I\n0.693052 0.042426 0.889032 I\n0.806948 0.042426 0.389032 I\n0.306948 0.957574 0.110968 I\n0.193052 0.957574 0.610968 I\n0.197341 0.965175 0.948051 I\n0.302659 0.965175 0.448051 I\n0.802659 0.034825 0.051949 I\n0.697341 0.034825 0.551949 I\n0.915831 0.748357 0.921506 I\n0.584169 0.748357 0.421506 I\n0.084169 0.251643 0.078494 I\n0.415831 0.251643 0.578494 I\n0.024478 0.758534 0.775089 N\n0.475522 0.758534 0.275089 N\n0.975522 0.241466 0.224911 N\n0.524478 0.241466 0.724911 N\n0.969257 0.258430 0.889757 N\n0.530743 0.258430 0.389757 N\n0.030743 0.741570 0.110243 N\n0.469257 0.741570 0.610243 N\n0.019645 0.752285 0.435561 N\n0.480355 0.752285 0.935561 N\n0.980355 0.247715 0.564439 N\n0.519645 0.247715 0.064439 N\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sb",
"I",
"N"
],
"chemical_system": "I-N-Sb",
"density": 4.347453861333676,
"density_atomic": 0.02567337378210311,
"volume": 2181.2481863617613,
"volume_molar": 23.45675644779507,
"formula_full": "Sb8 I36 N12",
"formula_reduced": "Sb2(I3N)3",
"formula_anonymous": "A2B3C9",
"energy": -130.22105838,
"energy_per_atom": -2.3253760425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.24505838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4637298,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:06.960000Z",
"spacegroup": 14
},
{
"id": "mp-13520",
"created_at": "2022-09-04T14:48:13.981548Z",
"structure_string": "Na4 Zn2 Ge2\n1.0\n3.720055 -4.627964 0.000000\n3.720055 4.627964 0.000000\n0.000000 0.000000 5.533041\nNa Zn Ge\n4 2 2\ndirect\n0.681587 0.034050 0.750000 Na\n0.318413 0.965950 0.250000 Na\n0.965950 0.318413 0.250000 Na\n0.034050 0.681587 0.750000 Na\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.228071 0.228071 0.750000 Ge\n0.771929 0.771929 0.250000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Ge"
],
"chemical_system": "Ge-Na-Zn",
"density": 3.2079755787332913,
"density_atomic": 0.0419910534477279,
"volume": 190.51677305402,
"volume_molar": 14.341485305903545,
"formula_full": "Na4 Zn2 Ge2",
"formula_reduced": "Na2ZnGe",
"formula_anonymous": "ABC2",
"energy": -18.243761,
"energy_per_atom": -2.280470125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.243761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002075,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:06.975000Z",
"spacegroup": 63
},
{
"id": "mp-1183754",
"created_at": "2022-09-04T14:48:13.792602Z",
"structure_string": "Ce6 Ag2\n1.0\n6.829493 0.000000 0.000000\n-3.414746 5.914514 0.000000\n0.000000 0.000000 5.211179\nCe Ag\n6 2\ndirect\n0.175624 0.351249 0.250001 Ce\n0.648749 0.824375 0.250001 Ce\n0.175625 0.824375 0.250001 Ce\n0.824377 0.648751 0.750001 Ce\n0.351251 0.175626 0.750001 Ce\n0.824377 0.175626 0.750001 Ce\n0.333333 0.666665 0.750001 Ag\n0.666666 0.333332 0.250001 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce",
"density": 8.333880911418715,
"density_atomic": 0.0380055014919909,
"volume": 210.49584102148688,
"volume_molar": 15.845444800324703,
"formula_full": "Ce6 Ag2",
"formula_reduced": "Ce3Ag",
"formula_anonymous": "AB3",
"energy": -40.52184717,
"energy_per_atom": -5.06523089625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.52184717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0984505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.030000Z",
"spacegroup": 194
},
{
"id": "mp-1206376",
"created_at": "2022-09-04T14:48:20.098606Z",
"structure_string": "Mn1 Au3\n1.0\n4.081319 0.000000 0.000000\n0.000000 4.081319 0.000000\n0.000000 0.000000 4.081319\nMn Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Au"
],
"chemical_system": "Au-Mn",
"density": 15.775055733630333,
"density_atomic": 0.05883806319058088,
"volume": 67.98320310176936,
"volume_molar": 10.235110459863094,
"formula_full": "Mn1 Au3",
"formula_reduced": "MnAu3",
"formula_anonymous": "AB3",
"energy": -19.00349145,
"energy_per_atom": -4.7508728625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.00349145,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.3570046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.086000Z",
"spacegroup": 221
},
{
"id": "mp-865090",
"created_at": "2022-09-04T14:48:15.778921Z",
"structure_string": "Na1 Ac1 Tl2\n1.0\n0.000000 4.005495 4.005495\n4.005495 0.000000 4.005495\n4.005495 4.005495 0.000000\nNa Ac Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ac\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ac",
"Tl"
],
"chemical_system": "Ac-Na-Tl",
"density": 8.510897246399903,
"density_atomic": 0.031121563976951094,
"volume": 128.5282450124433,
"volume_molar": 19.35037957751754,
"formula_full": "Na1 Ac1 Tl2",
"formula_reduced": "NaAcTl2",
"formula_anonymous": "ABC2",
"energy": -11.26531296,
"energy_per_atom": -2.81632824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.26531296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000365,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.110000Z",
"spacegroup": 225
},
{
"id": "mp-1210046",
"created_at": "2022-09-04T14:48:15.104853Z",
"structure_string": "Pr24 S24 Cl24\n1.0\n6.913408 0.000000 0.000000\n0.000000 7.019023 0.000000\n0.000000 0.000000 41.535192\nPr S Cl\n24 24 24\ndirect\n0.199537 0.729477 0.166879 Pr\n0.800463 0.270523 0.833121 Pr\n0.800463 0.270523 0.666879 Pr\n0.800463 0.229477 0.333121 Pr\n0.199537 0.729477 0.333121 Pr\n0.199537 0.770523 0.666879 Pr\n0.199537 0.770523 0.833121 Pr\n0.800463 0.229477 0.166879 Pr\n0.787693 0.250000 0.000000 Pr\n0.212307 0.750000 0.000000 Pr\n0.212307 0.750000 0.500000 Pr\n0.787693 0.250000 0.500000 Pr\n0.196330 0.301453 0.083862 Pr\n0.803670 0.698547 0.916138 Pr\n0.803670 0.698547 0.583862 Pr\n0.803670 0.801453 0.416138 Pr\n0.196330 0.301453 0.416138 Pr\n0.196330 0.198547 0.583862 Pr\n0.196330 0.198547 0.916138 Pr\n0.803670 0.801453 0.083862 Pr\n0.192694 0.287029 0.250000 Pr\n0.807306 0.712971 0.750000 Pr\n0.807306 0.787029 0.250000 Pr\n0.192694 0.212971 0.750000 Pr\n0.030227 0.036551 0.041833 S\n0.969773 0.963449 0.958167 S\n0.969773 0.963449 0.541833 S\n0.969773 0.536551 0.458167 S\n0.030227 0.036551 0.458167 S\n0.030227 0.463449 0.541833 S\n0.030227 0.463449 0.958167 S\n0.969773 0.536551 0.041833 S\n0.043818 0.010843 0.126837 S\n0.956182 0.989157 0.873163 S\n0.956182 0.989157 0.626837 S\n0.956182 0.510843 0.373163 S\n0.043818 0.010843 0.373163 S\n0.043818 0.489157 0.626837 S\n0.043818 0.489157 0.873163 S\n0.956182 0.510843 0.126837 S\n0.034283 0.011060 0.209141 S\n0.965717 0.988940 0.790859 S\n0.965717 0.988940 0.709141 S\n0.965717 0.511060 0.290859 S\n0.034283 0.011060 0.290859 S\n0.034283 0.488940 0.709141 S\n0.034283 0.488940 0.790859 S\n0.965717 0.511060 0.209141 S\n0.553646 0.128615 0.114427 Cl\n0.446354 0.871385 0.885573 Cl\n0.446354 0.871385 0.614427 Cl\n0.446354 0.628615 0.385573 Cl\n0.553646 0.128615 0.385573 Cl\n0.553646 0.371385 0.614427 Cl\n0.553646 0.371385 0.885573 Cl\n0.446354 0.628615 0.114427 Cl\n0.458275 0.415233 0.200038 Cl\n0.541725 0.584767 0.799962 Cl\n0.541725 0.584767 0.700038 Cl\n0.541725 0.915233 0.299962 Cl\n0.458275 0.415233 0.299962 Cl\n0.458275 0.084767 0.700038 Cl\n0.458275 0.084767 0.799962 Cl\n0.541725 0.915233 0.200038 Cl\n0.460745 0.414109 0.036110 Cl\n0.539255 0.585891 0.963890 Cl\n0.539255 0.585891 0.536110 Cl\n0.539255 0.914109 0.463890 Cl\n0.460745 0.414109 0.463890 Cl\n0.460745 0.085891 0.536110 Cl\n0.460745 0.085891 0.963890 Cl\n0.539255 0.914109 0.036110 Cl\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Pr",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S",
"density": 4.121225971205022,
"density_atomic": 0.03572295863432519,
"volume": 2015.5105498685436,
"volume_molar": 16.857900325796347,
"formula_full": "Pr24 S24 Cl24",
"formula_reduced": "PrSCl",
"formula_anonymous": "ABC",
"energy": -438.98706743,
"energy_per_atom": -6.097042603194445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -412.17906743,
"band_gap": 2.6929000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0055055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.149000Z",
"spacegroup": 57
},
{
"id": "mp-1235059",
"created_at": "2022-09-04T14:48:15.420940Z",
"structure_string": "Li1 O8\n1.0\n4.680267 0.030675 1.916040\n1.982558 4.453103 1.541215\n0.569716 -0.340467 5.069074\nLi O\n1 8\ndirect\n0.495530 0.803706 0.803706 Li\n0.842098 0.333358 0.820393 O\n0.150600 0.233297 0.699617 O\n0.150600 0.699617 0.233297 O\n0.842098 0.820393 0.333358 O\n0.838017 0.255822 0.255822 O\n0.153713 0.741225 0.741225 O\n0.142059 0.152549 0.152549 O\n0.843618 0.864795 0.864795 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.2038983803088397,
"density_atomic": 0.08852307716082258,
"volume": 101.66840431506266,
"volume_molar": 6.802904906998876,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy": -45.3362327,
"energy_per_atom": -5.037359188888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.0482327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0222966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.188000Z",
"spacegroup": 8
},
{
"id": "mp-1216235",
"created_at": "2022-09-04T14:48:16.097154Z",
"structure_string": "Y6 Cr1 Ge2 S14\n1.0\n5.792003 0.000000 0.000000\n0.029361 9.829534 0.000000\n0.045865 4.881877 8.587968\nY Cr Ge S\n6 1 2 14\ndirect\n0.745369 0.228877 0.639771 Y\n0.748318 0.643056 0.132014 Y\n0.747692 0.127797 0.228103 Y\n0.244440 0.773745 0.358856 Y\n0.249501 0.353332 0.870514 Y\n0.246840 0.870795 0.774524 Y\n0.533092 0.000883 0.996536 Cr\n0.170212 0.331928 0.333910 Ge\n0.664276 0.667463 0.665996 Ge\n0.287768 0.157758 0.746662 S\n0.301754 0.759821 0.091813 S\n0.299447 0.091065 0.151378 S\n0.781003 0.839467 0.255097 S\n0.763474 0.243545 0.911005 S\n0.767296 0.910474 0.844947 S\n0.550406 0.334475 0.332136 S\n0.044783 0.664771 0.669076 S\n0.006842 0.096480 0.482986 S\n0.007385 0.486320 0.414564 S\n0.010635 0.416887 0.099169 S\n0.502139 0.902785 0.518235 S\n0.501980 0.516162 0.581807 S\n0.502350 0.582116 0.900903 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Y",
"Cr",
"Ge",
"S"
],
"chemical_system": "Cr-Ge-S-Y",
"density": 4.0062637887362715,
"density_atomic": 0.04704090963381804,
"volume": 488.9361234516847,
"volume_molar": 12.801922426412094,
"formula_full": "Y6 Cr1 Ge2 S14",
"formula_reduced": "Y6Cr(GeS7)2",
"formula_anonymous": "AB2C6D14",
"energy": -156.66391568,
"energy_per_atom": -6.8114745947826085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.62191568,
"band_gap": 0.1089999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.218000Z",
"spacegroup": 1
},
{
"id": "mp-1323665",
"created_at": "2022-09-04T14:48:19.989551Z",
"structure_string": "Ca4 Y6 Si6 O26\n1.0\n6.912220 0.000000 0.000000\n0.000000 9.442811 0.000000\n0.000000 4.695304 8.194145\nCa Y Si O\n4 6 6 26\ndirect\n0.502526 0.668900 0.664597 Ca\n0.002526 0.331100 0.335403 Ca\n0.997474 0.668900 0.664597 Ca\n0.497474 0.331100 0.335403 Ca\n0.250000 0.006838 0.240066 Y\n0.750000 0.993162 0.759934 Y\n0.250000 0.243606 0.752105 Y\n0.750000 0.756394 0.247895 Y\n0.750000 0.247107 0.993898 Y\n0.250000 0.752893 0.006102 Y\n0.250000 0.392223 0.976833 Si\n0.750000 0.607777 0.023167 Si\n0.250000 0.632871 0.389364 Si\n0.750000 0.367129 0.610636 Si\n0.750000 0.022545 0.368081 Si\n0.250000 0.977455 0.631919 Si\n0.750000 0.476027 0.700333 O\n0.250000 0.523973 0.299667 O\n0.250000 0.884817 0.524494 O\n0.750000 0.115183 0.475506 O\n0.250000 0.591839 0.883833 O\n0.750000 0.408161 0.116167 O\n0.250000 0.300839 0.174919 O\n0.750000 0.699161 0.825081 O\n0.250000 0.526766 0.588887 O\n0.750000 0.473234 0.411113 O\n0.750000 0.824025 0.474551 O\n0.250000 0.175975 0.525449 O\n0.436636 0.332954 0.909709 O\n0.936636 0.667046 0.090291 O\n0.063364 0.332954 0.909709 O\n0.563364 0.667046 0.090291 O\n0.436780 0.758672 0.330883 O\n0.936780 0.241328 0.669117 O\n0.063220 0.758672 0.330883 O\n0.563220 0.241328 0.669117 O\n0.937208 0.089622 0.242267 O\n0.437208 0.910378 0.757733 O\n0.562792 0.089622 0.242267 O\n0.062792 0.910378 0.757733 O\n0.250000 0.001032 0.998327 O\n0.750000 0.998968 0.001673 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ca",
"Y",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Y",
"density": 3.9686293133589694,
"density_atomic": 0.07852840853357092,
"volume": 534.8382933552638,
"volume_molar": 7.668741634341836,
"formula_full": "Ca4 Y6 Si6 O26",
"formula_reduced": "Ca2Y3Si3O13",
"formula_anonymous": "A2B3C3D13",
"energy": -356.75332849,
"energy_per_atom": -8.494126868809524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.89132849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2034131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.269000Z",
"spacegroup": 176
},
{
"id": "mp-978564",
"created_at": "2022-09-04T14:48:15.181830Z",
"structure_string": "Sm1 Y1 Tl2\n1.0\n0.000000 3.833566 3.833566\n3.833566 0.000000 3.833566\n3.833566 3.833566 0.000000\nSm Y Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Y\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Y",
"Tl"
],
"chemical_system": "Sm-Tl-Y",
"density": 9.55008026083045,
"density_atomic": 0.035499412179061954,
"volume": 112.67792209695392,
"volume_molar": 16.964057685304272,
"formula_full": "Sm1 Y1 Tl2",
"formula_reduced": "SmYTl2",
"formula_anonymous": "ABC2",
"energy": -17.42950351,
"energy_per_atom": -4.3573758775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.42950351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.276000Z",
"spacegroup": 225
},
{
"id": "mp-1016645",
"created_at": "2022-09-04T14:48:17.093339Z",
"structure_string": "Mg12 Sb2 Mo2\n1.0\n5.128992 0.000000 0.000000\n0.000000 6.017440 0.000000\n0.000000 0.000000 10.787466\nMg Sb Mo\n12 2 2\ndirect\n0.500000 0.247721 0.417328 Mg\n0.500000 0.752279 0.417328 Mg\n0.000000 0.762793 0.083845 Mg\n0.000000 0.237207 0.083845 Mg\n0.000000 0.000000 0.325605 Mg\n0.000000 0.500000 0.336218 Mg\n0.500000 0.747721 0.917328 Mg\n0.500000 0.252279 0.917328 Mg\n0.000000 0.262793 0.583845 Mg\n0.000000 0.737207 0.583845 Mg\n0.000000 0.500000 0.825605 Mg\n0.000000 0.000000 0.836218 Mg\n0.500000 0.500000 0.168959 Sb\n0.500000 0.000000 0.668959 Sb\n0.500000 0.000000 0.166868 Mo\n0.500000 0.500000 0.666868 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Mo"
],
"chemical_system": "Mg-Mo-Sb",
"density": 3.6262364531823823,
"density_atomic": 0.048057010662457794,
"volume": 332.9378956252729,
"volume_molar": 12.531242948709886,
"formula_full": "Mg12 Sb2 Mo2",
"formula_reduced": "Mg6SbMo",
"formula_anonymous": "ABC6",
"energy": -46.78424006,
"energy_per_atom": -2.92401500375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.78424006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2271222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:07.330000Z",
"spacegroup": 38
}
]
}