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=-band_gap&page=11524",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=11522",
"results": [
{
"id": "mp-1221660",
"created_at": "2022-09-04T14:44:29.579101Z",
"structure_string": "Mn1 Al2 Cu1\n1.0\n2.806630 0.000000 0.000000\n0.000000 2.806630 0.000000\n0.000000 0.000000 6.683073\nMn Al Cu\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.748388 Al\n0.000000 0.000000 0.251612 Al\n0.500000 0.500000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Mn",
"density": 5.43949419471843,
"density_atomic": 0.07598247926022506,
"volume": 52.64371522151556,
"volume_molar": 7.925696579833032,
"formula_full": "Mn1 Al2 Cu1",
"formula_reduced": "MnAl2Cu",
"formula_anonymous": "ABC2",
"energy": -21.73574415,
"energy_per_atom": -5.4339360375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.73574415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1969457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.853000Z",
"spacegroup": 123
},
{
"id": "mp-641564",
"created_at": "2022-09-04T14:44:26.276822Z",
"structure_string": "U4 Ga12 Pd1\n1.0\n-4.320765 4.320765 4.320765\n4.320765 -4.320765 4.320765\n4.320765 4.320765 -4.320765\nU Ga Pd\n4 12 1\ndirect\n0.000000 0.500000 0.000000 U\n0.500000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n0.250000 0.500000 0.750000 Ga\n0.000000 0.705994 0.705994 Ga\n0.294006 0.294006 0.000000 Ga\n0.500000 0.750000 0.250000 Ga\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.250000 0.750000 0.500000 Ga\n0.705994 0.000000 0.705994 Ga\n0.500000 0.250000 0.750000 Ga\n0.000000 0.294006 0.294006 Ga\n0.294006 0.000000 0.294006 Ga\n0.705994 0.705994 0.000000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 17,
"nelements": 3,
"elements": [
"U",
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-U",
"density": 9.753598680725585,
"density_atomic": 0.05268742710270762,
"volume": 322.6576231718547,
"volume_molar": 11.429938964870276,
"formula_full": "U4 Ga12 Pd1",
"formula_reduced": "U4Ga12Pd",
"formula_anonymous": "AB4C12",
"energy": -91.8353229,
"energy_per_atom": -5.402077817647059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.8353229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9540548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.434000Z",
"spacegroup": 229
},
{
"id": "mp-1202636",
"created_at": "2022-09-04T14:44:26.770160Z",
"structure_string": "Yb10 Ge20 Rh8\n1.0\n13.020534 0.000000 0.000000\n0.000000 13.020534 0.000000\n0.000000 0.000000 4.371325\nYb Ge Rh\n10 20 8\ndirect\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.675171 0.175171 0.500000 Yb\n0.324829 0.824829 0.500000 Yb\n0.175171 0.324829 0.500000 Yb\n0.824829 0.675171 0.500000 Yb\n0.888345 0.388345 0.500000 Yb\n0.111655 0.611655 0.500000 Yb\n0.388345 0.111655 0.500000 Yb\n0.611655 0.888345 0.500000 Yb\n0.565480 0.065480 0.000000 Ge\n0.434520 0.934520 0.000000 Ge\n0.065480 0.434520 0.000000 Ge\n0.934520 0.565480 0.000000 Ge\n0.656464 0.700638 0.000000 Ge\n0.343536 0.299362 0.000000 Ge\n0.156464 0.799362 0.000000 Ge\n0.843536 0.200638 0.000000 Ge\n0.299362 0.656464 0.000000 Ge\n0.700638 0.343536 0.000000 Ge\n0.200638 0.156464 0.000000 Ge\n0.799362 0.843536 0.000000 Ge\n0.656083 0.502698 0.500000 Ge\n0.343917 0.497302 0.500000 Ge\n0.156083 0.997302 0.500000 Ge\n0.843917 0.002698 0.500000 Ge\n0.497302 0.656083 0.500000 Ge\n0.502698 0.343917 0.500000 Ge\n0.002698 0.156083 0.500000 Ge\n0.997302 0.843917 0.500000 Ge\n0.747148 0.526230 0.000000 Rh\n0.252852 0.473770 0.000000 Rh\n0.247148 0.973770 0.000000 Rh\n0.752852 0.026230 0.000000 Rh\n0.473770 0.747148 0.000000 Rh\n0.526230 0.252852 0.000000 Rh\n0.026230 0.247148 0.000000 Rh\n0.973770 0.752852 0.000000 Rh\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Yb",
"density": 8.977129406958854,
"density_atomic": 0.05127585467982864,
"volume": 741.0895486243115,
"volume_molar": 11.74459362521176,
"formula_full": "Yb10 Ge20 Rh8",
"formula_reduced": "Yb5(Ge5Rh2)2",
"formula_anonymous": "A4B5C10",
"energy": -193.39566736,
"energy_per_atom": -5.089359667368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.39566736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.256000Z",
"spacegroup": 127
},
{
"id": "mp-1207661",
"created_at": "2022-09-04T14:44:26.771462Z",
"structure_string": "Zn20 Co2 B16 Rh36\n1.0\n17.914220 0.000000 0.000000\n0.000000 17.914220 0.000000\n0.000000 0.000000 2.878695\nZn Co B Rh\n20 2 16 36\ndirect\n0.550056 0.050056 0.000000 Zn\n0.449944 0.949944 0.000000 Zn\n0.050056 0.449944 0.000000 Zn\n0.949944 0.550056 0.000000 Zn\n0.031779 0.187529 0.000000 Zn\n0.968221 0.812471 0.000000 Zn\n0.187529 0.968221 0.000000 Zn\n0.531779 0.312471 0.000000 Zn\n0.812471 0.031779 0.000000 Zn\n0.468221 0.687529 0.000000 Zn\n0.687529 0.531779 0.000000 Zn\n0.312471 0.468221 0.000000 Zn\n0.209418 0.709418 0.000000 Zn\n0.790582 0.290582 0.000000 Zn\n0.709418 0.790582 0.000000 Zn\n0.290582 0.209418 0.000000 Zn\n0.668919 0.168919 0.000000 Zn\n0.331081 0.831081 0.000000 Zn\n0.168919 0.331081 0.000000 Zn\n0.831081 0.668919 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.334099 0.038830 0.000000 B\n0.665901 0.961170 0.000000 B\n0.038830 0.665901 0.000000 B\n0.834099 0.461170 0.000000 B\n0.961170 0.334099 0.000000 B\n0.165901 0.538830 0.000000 B\n0.538830 0.834099 0.000000 B\n0.461170 0.165901 0.000000 B\n0.166619 0.124135 0.000000 B\n0.833381 0.875865 0.000000 B\n0.124135 0.833381 0.000000 B\n0.666619 0.375865 0.000000 B\n0.875865 0.166619 0.000000 B\n0.333381 0.624135 0.000000 B\n0.624135 0.666619 0.000000 B\n0.375865 0.333381 0.000000 B\n0.255190 0.087601 0.500000 Rh\n0.744810 0.912399 0.500000 Rh\n0.087601 0.744810 0.500000 Rh\n0.755190 0.412399 0.500000 Rh\n0.912399 0.255190 0.500000 Rh\n0.244810 0.587601 0.500000 Rh\n0.587601 0.755190 0.500000 Rh\n0.412399 0.244810 0.500000 Rh\n0.047768 0.326090 0.500000 Rh\n0.952232 0.673910 0.500000 Rh\n0.326090 0.952232 0.500000 Rh\n0.547768 0.173910 0.500000 Rh\n0.673910 0.047768 0.500000 Rh\n0.452232 0.826090 0.500000 Rh\n0.826090 0.547768 0.500000 Rh\n0.173910 0.452232 0.500000 Rh\n0.159723 0.210911 0.500000 Rh\n0.840277 0.789089 0.500000 Rh\n0.210911 0.840277 0.500000 Rh\n0.659723 0.289089 0.500000 Rh\n0.789089 0.159723 0.500000 Rh\n0.340277 0.710911 0.500000 Rh\n0.710911 0.659723 0.500000 Rh\n0.289089 0.340277 0.500000 Rh\n0.098783 0.066755 0.500000 Rh\n0.901217 0.933245 0.500000 Rh\n0.066755 0.901217 0.500000 Rh\n0.598783 0.433245 0.500000 Rh\n0.933245 0.098783 0.500000 Rh\n0.401217 0.566755 0.500000 Rh\n0.566755 0.598783 0.500000 Rh\n0.433245 0.401217 0.500000 Rh\n0.082478 0.582478 0.500000 Rh\n0.917522 0.417522 0.500000 Rh\n0.582478 0.917522 0.500000 Rh\n0.417522 0.082478 0.500000 Rh\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Zn",
"Co",
"B",
"Rh"
],
"chemical_system": "B-Co-Rh-Zn",
"density": 9.533010444759572,
"density_atomic": 0.08010142818819177,
"volume": 923.82872158213,
"volume_molar": 7.518144053376266,
"formula_full": "Zn20 Co2 B16 Rh36",
"formula_reduced": "Zn10Co(B4Rh9)2",
"formula_anonymous": "AB8C10D18",
"energy": -439.98097917,
"energy_per_atom": -5.945688907702703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -439.98097917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.1277043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.574000Z",
"spacegroup": 127
},
{
"id": "mp-753871",
"created_at": "2022-09-04T14:44:27.370913Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n9.083488 -0.000503 0.000070\n-0.000352 6.430733 -0.002125\n0.000038 -0.001644 4.936327\nLi V P O\n2 4 4 16\ndirect\n0.332924 0.250001 0.965024 Li\n0.832971 0.249781 0.534978 Li\n0.999488 0.987460 0.999505 V\n0.999466 0.512707 0.999750 V\n0.499497 0.987560 0.500567 V\n0.499397 0.512627 0.500299 V\n0.175355 0.249971 0.472991 P\n0.323997 0.750118 0.986691 P\n0.675379 0.249877 0.026995 P\n0.823977 0.750030 0.513313 P\n0.119968 0.053892 0.334548 O\n0.119889 0.445822 0.334678 O\n0.127840 0.249805 0.782406 O\n0.152168 0.750052 0.956994 O\n0.350940 0.250054 0.444186 O\n0.379239 0.749899 0.287499 O\n0.378089 0.549529 0.848343 O\n0.378077 0.950871 0.848974 O\n0.619979 0.053908 0.165308 O\n0.619925 0.445869 0.165427 O\n0.627872 0.249907 0.717537 O\n0.652151 0.750009 0.543042 O\n0.850962 0.249952 0.055830 O\n0.879210 0.750256 0.212441 O\n0.878074 0.549345 0.651083 O\n0.878050 0.950697 0.651592 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.441076446812202,
"density_atomic": 0.09016881263028659,
"volume": 288.3480356629086,
"volume_molar": 6.678740225505907,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -209.27868939,
"energy_per_atom": -8.049180361153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.48668939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0006191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.214000Z",
"spacegroup": 26
},
{
"id": "mp-13505",
"created_at": "2022-09-04T14:44:26.299453Z",
"structure_string": "Ce1 Mg2 Ni9\n1.0\n8.023639 -2.421609 0.000000\n8.023639 2.421609 0.000000\n7.292775 0.000000 4.130183\nCe Mg Ni\n1 2 9\ndirect\n0.000000 0.000000 0.000000 Ce\n0.855455 0.855455 0.855455 Mg\n0.144545 0.144545 0.144545 Mg\n0.586472 0.082298 0.586472 Ni\n0.082298 0.586472 0.586472 Ni\n0.586472 0.586472 0.082298 Ni\n0.413528 0.917702 0.413528 Ni\n0.917702 0.413528 0.413528 Ni\n0.333789 0.333789 0.333789 Ni\n0.413528 0.413528 0.917702 Ni\n0.500000 0.500000 0.500000 Ni\n0.666211 0.666211 0.666211 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni",
"density": 7.417769412566317,
"density_atomic": 0.0747664142956743,
"volume": 160.49987301175517,
"volume_molar": 8.054606893657622,
"formula_full": "Ce1 Mg2 Ni9",
"formula_reduced": "CeMg2Ni9",
"formula_anonymous": "AB2C9",
"energy": -64.57847183,
"energy_per_atom": -5.3815393191666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.57847183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0557117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.770000Z",
"spacegroup": 166
},
{
"id": "mp-975868",
"created_at": "2022-09-04T14:44:26.299746Z",
"structure_string": "Li3 Al1\n1.0\n-1.958405 1.958405 4.391389\n1.958405 -1.958405 4.391389\n1.958405 1.958405 -4.391389\nLi Al\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.1782876039523007,
"density_atomic": 0.059373557549333184,
"volume": 67.3700577344792,
"volume_molar": 10.142799267159013,
"formula_full": "Li3 Al1",
"formula_reduced": "Li3Al",
"formula_anonymous": "AB3",
"energy": -9.79107321,
"energy_per_atom": -2.4477683025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.79107321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.191000Z",
"spacegroup": 139
},
{
"id": "mp-1094346",
"created_at": "2022-09-04T14:44:26.307349Z",
"structure_string": "Mg6 Ti6\n1.0\n4.777783 0.000000 0.000000\n0.000000 6.015512 0.000000\n0.000000 1.503981 8.186333\nMg Ti\n6 6\ndirect\n0.250000 0.468191 0.612101 Mg\n0.250000 0.976590 0.608923 Mg\n0.750000 0.531809 0.387899 Mg\n0.750000 0.023410 0.391077 Mg\n0.250000 0.311171 0.267182 Mg\n0.750000 0.688829 0.732818 Mg\n0.250000 0.816010 0.241271 Ti\n0.750000 0.869045 0.047526 Ti\n0.750000 0.349720 0.048363 Ti\n0.250000 0.650280 0.951637 Ti\n0.250000 0.130955 0.952474 Ti\n0.750000 0.183990 0.758729 Ti\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.0561922020716175,
"density_atomic": 0.05100265930513206,
"volume": 235.28184928962165,
"volume_molar": 11.807503455793396,
"formula_full": "Mg6 Ti6",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -55.64726223000001,
"energy_per_atom": -4.6372718525000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.64726223000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0323536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.687000Z",
"spacegroup": 11
},
{
"id": "mp-570334",
"created_at": "2022-09-04T14:44:26.309183Z",
"structure_string": "Si1 W3\n1.0\n-2.606175 2.606175 2.606175\n2.606175 -2.606175 2.606175\n2.606175 2.606175 -2.606175\nSi W\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 13.59286115204519,
"density_atomic": 0.05649230258652846,
"volume": 70.80610661732644,
"volume_molar": 10.660108517927682,
"formula_full": "Si1 W3",
"formula_reduced": "SiW3",
"formula_anonymous": "AB3",
"energy": -38.94359244,
"energy_per_atom": -9.73589811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.94359244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.506000Z",
"spacegroup": 229
},
{
"id": "mp-1185806",
"created_at": "2022-09-04T14:45:09.405989Z",
"structure_string": "Mg5 As1\n1.0\n1.653246 -7.715773 0.000000\n1.653246 7.715773 0.000000\n0.000000 0.000000 5.138454\nMg As\n5 1\ndirect\n0.328733 0.671267 0.000000 Mg\n0.667880 0.332120 0.000000 Mg\n0.000321 0.999679 0.000000 Mg\n0.440928 0.559072 0.500000 Mg\n0.120070 0.879930 0.500000 Mg\n0.775397 0.224603 0.500000 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 2.4883657938713664,
"density_atomic": 0.04576904587274438,
"volume": 131.09296655827865,
"volume_molar": 13.157671620998778,
"formula_full": "Mg5 As1",
"formula_reduced": "Mg5As",
"formula_anonymous": "AB5",
"energy": -13.259494749999998,
"energy_per_atom": -2.2099157916666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.259494749999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007871,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.367000Z",
"spacegroup": 38
},
{
"id": "mp-757601",
"created_at": "2022-09-04T14:44:26.314703Z",
"structure_string": "Ba8 Fe8 O21\n1.0\n0.001811 -4.036130 -4.087203\n-4.138716 0.001216 -4.086609\n12.370866 12.060475 -8.131552\nBa Fe O\n8 8 21\ndirect\n0.751796 0.750811 0.251986 Ba\n0.375000 0.375000 0.125000 Ba\n0.998204 0.999189 0.998014 Ba\n0.875000 0.875000 0.625000 Ba\n0.495684 0.506738 0.496791 Ba\n0.123214 0.126612 0.371356 Ba\n0.626786 0.623388 0.878644 Ba\n0.254316 0.243262 0.753209 Ba\n0.663349 0.659676 0.055827 Fe\n0.784633 0.863275 0.429370 Fe\n0.086651 0.090324 0.194173 Fe\n0.439654 0.452607 0.311270 Fe\n0.965367 0.886725 0.820630 Fe\n0.203962 0.160180 0.568612 Fe\n0.546038 0.589820 0.681388 Fe\n0.310346 0.297393 0.938730 Fe\n0.494497 0.480806 0.998076 O\n0.375000 0.875000 0.125000 O\n0.990428 0.517470 0.007620 O\n0.875000 0.375000 0.125000 O\n0.245764 0.758456 0.248423 O\n0.504236 0.991544 0.001577 O\n0.115358 0.627968 0.383551 O\n0.759572 0.232530 0.242380 O\n0.628917 0.630747 0.375779 O\n0.255503 0.269194 0.251924 O\n0.375000 0.875000 0.625000 O\n0.618116 0.149001 0.372300 O\n0.875000 0.375000 0.625000 O\n0.375000 0.375000 0.625000 O\n0.756275 0.730378 0.749384 O\n0.993725 0.019622 0.500616 O\n0.500291 0.005427 0.499478 O\n0.249709 0.744573 0.750522 O\n0.131884 0.600999 0.877700 O\n0.121083 0.119253 0.874221 O\n0.634642 0.122032 0.866449 O\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O",
"density": 5.742348625432375,
"density_atomic": 0.06800948577558075,
"volume": 544.0417550294887,
"volume_molar": 8.854854130013564,
"formula_full": "Ba8 Fe8 O21",
"formula_reduced": "Ba8Fe8O21",
"formula_anonymous": "A8B8C21",
"energy": -269.19894749,
"energy_per_atom": -7.2756472294594605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -236.72394749000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0004733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.761000Z",
"spacegroup": 2
},
{
"id": "mp-1218637",
"created_at": "2022-09-04T14:44:26.323338Z",
"structure_string": "Sr8 Co6 Cl4 O15\n1.0\n15.843666 2.764738 0.000000\n-15.843666 2.764738 0.000000\n0.000000 0.034914 5.528944\nSr Co Cl O\n8 6 4 15\ndirect\n0.678914 0.807793 0.756616 Sr\n0.192207 0.321086 0.243384 Sr\n0.321086 0.192207 0.243384 Sr\n0.807793 0.678914 0.756616 Sr\n0.569834 0.927851 0.751169 Sr\n0.072149 0.430166 0.248831 Sr\n0.430166 0.072149 0.248831 Sr\n0.927851 0.569834 0.751169 Sr\n0.366730 0.126467 0.746552 Co\n0.873533 0.633270 0.253448 Co\n0.633270 0.873533 0.253448 Co\n0.126467 0.366730 0.746552 Co\n0.737252 0.737252 0.237207 Co\n0.262748 0.262748 0.762793 Co\n0.465612 0.034471 0.749973 Cl\n0.965529 0.534388 0.250027 Cl\n0.534388 0.965529 0.250027 Cl\n0.034471 0.465612 0.749973 Cl\n0.284858 0.168803 0.727245 O\n0.831197 0.715142 0.272755 O\n0.715142 0.831197 0.272755 O\n0.168803 0.284858 0.727245 O\n0.624930 0.375070 0.000000 O\n0.129161 0.870839 0.500000 O\n0.127763 0.872237 0.000000 O\n0.627774 0.372226 0.500000 O\n0.375070 0.624930 0.000000 O\n0.870839 0.129161 0.500000 O\n0.872237 0.127763 0.000000 O\n0.372226 0.627774 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Sr",
"Co",
"Cl",
"O"
],
"chemical_system": "Cl-Co-O-Sr",
"density": 4.924149261087082,
"density_atomic": 0.06812901229946883,
"volume": 484.3751418990891,
"volume_molar": 8.839319045943299,
"formula_full": "Sr8 Co6 Cl4 O15",
"formula_reduced": "Sr8Co6Cl4O15",
"formula_anonymous": "A4B6C8D15",
"energy": -207.62029055,
"energy_per_atom": -6.2915239560606055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.03129055,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0495903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.950000Z",
"spacegroup": 12
}
]
}