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=-energy_above_hull&page=42",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=40",
"results": [
{
"id": "mp-755018",
"created_at": "2022-09-04T14:47:26.055544Z",
"structure_string": "Rb1 Ta1 O3\n1.0\n2.895361 -2.890967 0.000000\n2.895361 2.890967 0.000000\n0.008782 0.000000 4.091543\nRb Ta O\n1 1 3\ndirect\n0.977189 0.977189 0.977189 Rb\n0.488415 0.488415 0.488415 Ta\n0.468218 0.961981 0.468218 O\n0.468218 0.468218 0.961981 O\n0.961981 0.468218 0.468218 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ta",
"O"
],
"chemical_system": "O-Rb-Ta",
"density": 7.622331586751525,
"density_atomic": 0.07299733992448876,
"volume": 68.49564662455086,
"volume_molar": 8.249808508405282,
"formula_full": "Rb1 Ta1 O3",
"formula_reduced": "RbTaO3",
"formula_anonymous": "ABC3",
"energy": -42.59016963,
"energy_per_atom": -8.518033926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.52916963,
"band_gap": 2.5106,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.410000Z",
"spacegroup": 160
},
{
"id": "mp-1186118",
"created_at": "2022-09-04T14:47:26.060975Z",
"structure_string": "Na1 Ca1 O3\n1.0\n4.506638 0.000000 0.000000\n0.000000 4.506638 0.000000\n0.000000 0.000000 4.506638\nNa Ca O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Ca",
"O"
],
"chemical_system": "Ca-Na-O",
"density": 2.014986243326152,
"density_atomic": 0.054627582461265374,
"volume": 91.52885364358447,
"volume_molar": 11.02399280486209,
"formula_full": "Na1 Ca1 O3",
"formula_reduced": "NaCaO3",
"formula_anonymous": "ABC3",
"energy": -24.791656770000003,
"energy_per_atom": -4.958331354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.73065677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.986000Z",
"spacegroup": 221
},
{
"id": "mp-22159",
"created_at": "2022-09-04T14:47:26.062531Z",
"structure_string": "U2 Ni2 As4\n1.0\n3.949403 0.000000 0.000000\n0.000000 3.949403 0.000000\n0.000000 0.000000 9.170507\nU Ni As\n2 2 4\ndirect\n0.500000 0.000000 0.754056 U\n0.000000 0.500000 0.245944 U\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 As\n0.000000 0.500000 0.658140 As\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.341860 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"U",
"Ni",
"As"
],
"chemical_system": "As-Ni-U",
"density": 10.36831112524541,
"density_atomic": 0.055928572774265155,
"volume": 143.03958787378716,
"volume_molar": 10.767556655354191,
"formula_full": "U2 Ni2 As4",
"formula_reduced": "UNiAs2",
"formula_anonymous": "ABC2",
"energy": -57.66068745,
"energy_per_atom": -7.20758593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.66068745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1655912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.334000Z",
"spacegroup": 129
},
{
"id": "mp-1183361",
"created_at": "2022-09-04T14:47:26.063344Z",
"structure_string": "Ba3 Yb1\n1.0\n-3.055472 3.055472 6.367343\n3.055472 -3.055472 6.367343\n3.055472 3.055472 -6.367343\nBa Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Yb"
],
"chemical_system": "Ba-Yb",
"density": 4.085504565565678,
"density_atomic": 0.01682229087705337,
"volume": 237.7797429157668,
"volume_molar": 35.79857704288401,
"formula_full": "Ba3 Yb1",
"formula_reduced": "Ba3Yb",
"formula_anonymous": "AB3",
"energy": -7.12684207,
"energy_per_atom": -1.7817105175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.12684207,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.332000Z",
"spacegroup": 139
},
{
"id": "mp-22136",
"created_at": "2022-09-04T14:47:26.070350Z",
"structure_string": "Co4 Ge4 O12\n1.0\n4.568961 4.891864 0.000000\n-4.568961 4.891864 0.000000\n0.000000 1.060046 5.129629\nCo Ge O\n4 4 12\ndirect\n0.906149 0.093851 0.750000 Co\n0.730121 0.269879 0.250000 Co\n0.093851 0.906149 0.250000 Co\n0.269879 0.730121 0.750000 Co\n0.605353 0.795634 0.215119 Ge\n0.795634 0.605353 0.715119 Ge\n0.204366 0.394647 0.284881 Ge\n0.394647 0.204366 0.784881 Ge\n0.571455 0.710492 0.910305 O\n0.289508 0.428545 0.589695 O\n0.372655 0.864116 0.384062 O\n0.792737 0.977428 0.135340 O\n0.977428 0.792737 0.635340 O\n0.428545 0.289508 0.089695 O\n0.710492 0.571455 0.410305 O\n0.135884 0.627345 0.115938 O\n0.864116 0.372655 0.884062 O\n0.207263 0.022572 0.864660 O\n0.022572 0.207263 0.364660 O\n0.627345 0.135884 0.615938 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-O",
"density": 5.201618156501582,
"density_atomic": 0.08722123233783824,
"volume": 229.30196540371074,
"volume_molar": 6.904443561028982,
"formula_full": "Co4 Ge4 O12",
"formula_reduced": "CoGeO3",
"formula_anonymous": "ABC3",
"energy": -142.11958698,
"energy_per_atom": -7.105979349,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.32358698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.795000Z",
"spacegroup": 15
},
{
"id": "mp-767456",
"created_at": "2022-09-04T14:47:26.070991Z",
"structure_string": "Li6 Ta10 Cu4 O30\n1.0\n23.478732 -2.612448 0.000000\n23.478732 2.612448 0.000000\n23.188048 0.000000 4.515546\nLi Ta Cu O\n6 10 4 30\ndirect\n0.857294 0.857294 0.857294 Li\n0.658238 0.658238 0.658238 Li\n0.156845 0.156845 0.156845 Li\n0.058360 0.058360 0.058360 Li\n0.457879 0.457879 0.457879 Li\n0.258163 0.258163 0.258163 Li\n0.000976 0.000976 0.000976 Ta\n0.600804 0.600804 0.600804 Ta\n0.901627 0.901627 0.901627 Ta\n0.702022 0.702022 0.702022 Ta\n0.501022 0.501022 0.501022 Ta\n0.801277 0.801277 0.801277 Ta\n0.301847 0.301847 0.301847 Ta\n0.102218 0.102218 0.102218 Ta\n0.200680 0.200680 0.200680 Ta\n0.401169 0.401169 0.401169 Ta\n0.752275 0.752275 0.752275 Cu\n0.551786 0.551786 0.551786 Cu\n0.952068 0.952068 0.952068 Cu\n0.352138 0.352138 0.352138 Cu\n0.462534 0.225745 0.857612 O\n0.625304 0.251408 0.871513 O\n0.131343 0.358367 0.757898 O\n0.331038 0.557708 0.957972 O\n0.157655 0.558465 0.929865 O\n0.957972 0.358165 0.731035 O\n0.358165 0.731035 0.957972 O\n0.156948 0.528876 0.761322 O\n0.251408 0.871513 0.625304 O\n0.051559 0.672087 0.425510 O\n0.451097 0.071501 0.827235 O\n0.071501 0.827235 0.451097 O\n0.271861 0.025256 0.651660 O\n0.225745 0.857612 0.462534 O\n0.425510 0.051559 0.672087 O\n0.731035 0.957972 0.358165 O\n0.929865 0.157655 0.558465 O\n0.557708 0.957972 0.331038 O\n0.761322 0.156948 0.528876 O\n0.957972 0.331038 0.557708 O\n0.757898 0.131343 0.358367 O\n0.558465 0.929865 0.157655 O\n0.651660 0.271861 0.025256 O\n0.857612 0.462534 0.225745 O\n0.672087 0.425510 0.051559 O\n0.871513 0.625304 0.251408 O\n0.025256 0.651660 0.271861 O\n0.827235 0.451097 0.071501 O\n0.528876 0.761322 0.156948 O\n0.358367 0.757898 0.131343 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Li",
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-Ta",
"density": 7.749897140755329,
"density_atomic": 0.09026251799851416,
"volume": 553.939787064472,
"volume_molar": 6.671806740533354,
"formula_full": "Li6 Ta10 Cu4 O30",
"formula_reduced": "Li3Ta5Cu2O15",
"formula_anonymous": "A2B3C5D15",
"energy": -437.14669821,
"energy_per_atom": -8.7429339642,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -416.53669821,
"band_gap": 1.2712999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.631000Z",
"spacegroup": 146
},
{
"id": "mp-1228604",
"created_at": "2022-09-04T14:47:26.030658Z",
"structure_string": "Ba2 Nd2 Fe3 Co1 O12\n1.0\n5.566987 0.000000 0.000000\n0.000000 5.566987 0.000000\n0.000000 0.000000 7.938542\nBa Nd Fe Co O\n2 2 3 1 12\ndirect\n0.500000 0.000000 0.749131 Ba\n0.000000 0.500000 0.250869 Ba\n0.000000 0.500000 0.745813 Nd\n0.500000 0.000000 0.254187 Nd\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.744520 0.744520 0.500000 O\n0.255480 0.255480 0.500000 O\n0.749789 0.749789 0.000000 O\n0.250211 0.250211 0.000000 O\n0.255480 0.744520 0.500000 O\n0.744520 0.255480 0.500000 O\n0.250211 0.749789 0.000000 O\n0.749789 0.250211 0.000000 O\n0.500000 0.500000 0.747278 O\n0.000000 0.000000 0.748443 O\n0.500000 0.500000 0.252722 O\n0.000000 0.000000 0.251557 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Fe",
"Co",
"O"
],
"chemical_system": "Ba-Co-Fe-Nd-O",
"density": 6.625246501234784,
"density_atomic": 0.0812921920604072,
"volume": 246.02608802993345,
"volume_molar": 7.408018663742052,
"formula_full": "Ba2 Nd2 Fe3 Co1 O12",
"formula_reduced": "Ba2Nd2Fe3CoO12",
"formula_anonymous": "AB2C2D3E12",
"energy": -152.12596568,
"energy_per_atom": -7.606298284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.47596568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0095036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.685000Z",
"spacegroup": 115
},
{
"id": "mp-706228",
"created_at": "2022-09-04T14:47:26.038675Z",
"structure_string": "K8 Ti6 Co2 P12 O48\n1.0\n10.002663 0.000000 0.000000\n0.000000 10.010742 0.000000\n0.000000 0.017436 10.015297\nK Ti Co P O\n8 6 2 12 48\ndirect\n0.044735 0.549916 0.711562 K\n0.681515 0.820693 0.569827 K\n0.181515 0.179307 0.430173 K\n0.544735 0.450084 0.288438 K\n0.954902 0.959792 0.197178 K\n0.313995 0.688536 0.062551 K\n0.813995 0.311464 0.937449 K\n0.454902 0.040208 0.802822 K\n0.390185 0.390119 0.643471 Ti\n0.836898 0.160187 0.587634 Ti\n0.336898 0.839813 0.412366 Ti\n0.890185 0.609881 0.356529 Ti\n0.164879 0.332822 0.086472 Ti\n0.664879 0.667178 0.913528 Ti\n0.605314 0.105110 0.144375 Co\n0.105314 0.894890 0.855625 Co\n0.378017 0.707995 0.725333 P\n0.707357 0.476113 0.626828 P\n0.021304 0.872877 0.543104 P\n0.521304 0.127123 0.456896 P\n0.207357 0.523887 0.373172 P\n0.878017 0.292005 0.274667 P\n0.625686 0.793863 0.228865 P\n0.293374 0.020694 0.124197 P\n0.976447 0.620558 0.041973 P\n0.476447 0.379442 0.958027 P\n0.793374 0.979306 0.875803 P\n0.125686 0.206137 0.771135 P\n0.778141 0.048620 0.733898 O\n0.335592 0.557646 0.727705 O\n0.225987 0.305347 0.701629 O\n0.990548 0.228607 0.696164 O\n0.009261 0.819937 0.684078 O\n0.751857 0.329457 0.646921 O\n0.398500 0.750998 0.577141 O\n0.559594 0.481095 0.580122 O\n0.451303 0.227697 0.554788 O\n0.947694 0.008875 0.519803 O\n0.795611 0.548113 0.521438 O\n0.668565 0.105796 0.503171 O\n0.168565 0.894204 0.496829 O\n0.295611 0.451887 0.478562 O\n0.447694 0.991125 0.480197 O\n0.951303 0.772303 0.445212 O\n0.059594 0.518905 0.419878 O\n0.898500 0.249002 0.422859 O\n0.251857 0.670543 0.353079 O\n0.509261 0.180063 0.315922 O\n0.490548 0.771393 0.303836 O\n0.725987 0.694653 0.298371 O\n0.835592 0.442354 0.272295 O\n0.278141 0.951380 0.266102 O\n0.229401 0.447610 0.240666 O\n0.679817 0.934362 0.241600 O\n0.777523 0.207753 0.201276 O\n0.015514 0.275501 0.202557 O\n0.978682 0.664602 0.192312 O\n0.248721 0.170722 0.146601 O\n0.604873 0.747381 0.081862 O\n0.437034 0.011552 0.075896 O\n0.548983 0.279610 0.043729 O\n0.048932 0.483622 0.027682 O\n0.195769 0.949870 0.033234 O\n0.327489 0.399663 0.000014 O\n0.827489 0.600337 0.999986 O\n0.695769 0.050130 0.966766 O\n0.548932 0.516378 0.972318 O\n0.048983 0.720390 0.956271 O\n0.937034 0.988448 0.924104 O\n0.104873 0.252619 0.918138 O\n0.748721 0.829278 0.853399 O\n0.478682 0.335398 0.807688 O\n0.515514 0.724499 0.797443 O\n0.277523 0.792247 0.798724 O\n0.179817 0.065638 0.758400 O\n0.729401 0.552390 0.759334 O\n",
"nsites": 76,
"nelements": 5,
"elements": [
"K",
"Ti",
"Co",
"P",
"O"
],
"chemical_system": "Co-K-O-P-Ti",
"density": 3.075634929334246,
"density_atomic": 0.07578231249886246,
"volume": 1002.8725370598952,
"volume_molar": 7.9466310296223766,
"formula_full": "K8 Ti6 Co2 P12 O48",
"formula_reduced": "K4Ti3Co(PO4)6",
"formula_anonymous": "AB3C4D6E24",
"energy": -590.63464182,
"energy_per_atom": -7.771508444999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -554.38264182,
"band_gap": 1.2036000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0262027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.981000Z",
"spacegroup": 4
},
{
"id": "mp-1246123",
"created_at": "2022-09-04T14:47:26.043608Z",
"structure_string": "Ca20 Os8 N16\n1.0\n8.298590 0.000000 0.000000\n0.000000 8.298590 0.000000\n0.000000 0.000000 12.213149\nCa Os N\n20 8 16\ndirect\n0.750000 0.750000 0.332984 Ca\n0.750000 0.750000 0.832984 Ca\n0.250000 0.250000 0.667016 Ca\n0.250000 0.250000 0.167016 Ca\n0.132155 0.572241 0.401239 Ca\n0.367845 0.572241 0.901239 Ca\n0.132155 0.927759 0.901239 Ca\n0.367845 0.927759 0.401239 Ca\n0.572241 0.132155 0.901239 Ca\n0.927759 0.132155 0.401239 Ca\n0.572241 0.367845 0.401239 Ca\n0.927759 0.367845 0.901239 Ca\n0.867845 0.427759 0.598761 Ca\n0.632155 0.427759 0.098761 Ca\n0.867845 0.072241 0.098761 Ca\n0.632155 0.072241 0.598761 Ca\n0.427759 0.867845 0.098761 Ca\n0.072241 0.867845 0.598761 Ca\n0.427759 0.632155 0.598761 Ca\n0.072241 0.632155 0.098761 Ca\n0.095412 0.904588 0.250000 Os\n0.404588 0.904588 0.750000 Os\n0.095412 0.595412 0.750000 Os\n0.404588 0.595412 0.250000 Os\n0.904588 0.095412 0.750000 Os\n0.595412 0.095412 0.250000 Os\n0.904588 0.404588 0.250000 Os\n0.595412 0.404588 0.750000 Os\n0.641287 0.053787 0.397261 N\n0.858713 0.053787 0.897261 N\n0.641287 0.446213 0.897261 N\n0.858713 0.446213 0.397261 N\n0.053787 0.641287 0.897261 N\n0.446213 0.641287 0.397261 N\n0.053787 0.858713 0.397261 N\n0.446213 0.858713 0.897261 N\n0.358713 0.946213 0.602739 N\n0.141287 0.946213 0.102739 N\n0.358713 0.553787 0.102739 N\n0.141287 0.553787 0.602739 N\n0.946213 0.358713 0.102739 N\n0.553787 0.358713 0.602739 N\n0.946213 0.141287 0.602739 N\n0.553787 0.141287 0.102739 N\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ca",
"Os",
"N"
],
"chemical_system": "Ca-N-Os",
"density": 5.029539755502727,
"density_atomic": 0.052313816445712175,
"volume": 841.0779979254677,
"volume_molar": 11.511568394650352,
"formula_full": "Ca20 Os8 N16",
"formula_reduced": "Ca5(OsN2)2",
"formula_anonymous": "A2B4C5",
"energy": -292.52314638,
"energy_per_atom": -6.648253326818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.74714638,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9000377,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.829000Z",
"spacegroup": 130
},
{
"id": "mp-631358",
"created_at": "2022-09-04T14:47:26.048560Z",
"structure_string": "Sr1 Ta2 Mn1\n1.0\n0.000000 3.343945 3.343945\n3.343945 0.000000 3.343945\n3.343945 3.343945 0.000000\nSr Ta Mn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"Mn"
],
"chemical_system": "Mn-Sr-Ta",
"density": 11.20116325034767,
"density_atomic": 0.053487539294222425,
"volume": 74.78377305781328,
"volume_molar": 11.258960197951179,
"formula_full": "Sr1 Ta2 Mn1",
"formula_reduced": "SrTa2Mn",
"formula_anonymous": "ABC2",
"energy": -30.03493707,
"energy_per_atom": -7.5087342675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.03493707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5045341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.954000Z",
"spacegroup": 225
},
{
"id": "mp-1064690",
"created_at": "2022-09-04T14:47:26.054622Z",
"structure_string": "Nd1 Ru3\n1.0\n2.610853 -4.522130 0.000000\n2.610853 4.522130 0.000000\n0.000000 0.000000 3.161259\nNd Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ru"
],
"chemical_system": "Nd-Ru",
"density": 9.953596088238697,
"density_atomic": 0.053585150346650345,
"volume": 74.64754645873721,
"volume_molar": 11.238450804078875,
"formula_full": "Nd1 Ru3",
"formula_reduced": "NdRu3",
"formula_anonymous": "AB3",
"energy": -30.48110784,
"energy_per_atom": -7.62027696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.48110784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0826711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.865000Z",
"spacegroup": 191
},
{
"id": "mp-1175611",
"created_at": "2022-09-04T14:47:24.576037Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.900945 0.000000 0.000000\n-0.137090 10.109200 0.000000\n-1.206713 -4.294289 9.626945\nLi Mn Co O\n9 2 5 16\ndirect\n0.127541 0.686113 0.252016 Li\n0.875879 0.824407 0.757808 Li\n0.616973 0.941381 0.244899 Li\n0.622833 0.438333 0.250005 Li\n0.377167 0.561667 0.749995 Li\n0.124121 0.175593 0.242192 Li\n0.872459 0.313887 0.747984 Li\n0.383027 0.058619 0.755101 Li\n0.500000 0.000000 0.000000 Li\n0.001698 0.756343 0.002340 Mn\n0.998302 0.243657 0.997660 Mn\n0.751898 0.875019 0.500021 Co\n0.248102 0.124981 0.499979 Co\n0.747953 0.375445 0.500064 Co\n0.500000 0.500000 0.000000 Co\n0.252047 0.624555 0.499936 Co\n0.546802 0.708548 0.106368 O\n0.326916 0.840120 0.616100 O\n0.059991 0.948340 0.117768 O\n0.046073 0.464540 0.105879 O\n0.818994 0.590342 0.616238 O\n0.550128 0.225498 0.111300 O\n0.316151 0.342649 0.617697 O\n0.823803 0.093525 0.614731 O\n0.683849 0.657351 0.382303 O\n0.449872 0.774502 0.888700 O\n0.176197 0.906475 0.385269 O\n0.181006 0.409658 0.383762 O\n0.953927 0.535460 0.894121 O\n0.673084 0.159880 0.383900 O\n0.453198 0.291452 0.893632 O\n0.940009 0.051660 0.882232 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.252491953122903,
"density_atomic": 0.11334574048233068,
"volume": 282.32203401581233,
"volume_molar": 5.313071964039781,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.58811958,
"energy_per_atom": -6.549628736875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.07011958,
"band_gap": 1.2204000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002398,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.803000Z",
"spacegroup": 2
}
]
}