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=-decomposes_to&page=10187",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10185",
"results": [
{
"id": "mp-1247545",
"created_at": "2022-09-04T14:40:57.281865Z",
"structure_string": "Nb4 Mo4 N12\n1.0\n8.390609 1.291050 -0.230395\n-1.889848 5.008674 0.703331\n-1.705994 -2.239159 5.122684\nNb Mo N\n4 4 12\ndirect\n0.148271 0.043298 0.760679 Nb\n0.851729 0.956702 0.239321 Nb\n0.919257 0.476453 0.719337 Nb\n0.080743 0.523547 0.280663 Nb\n0.423417 0.753330 0.906487 Mo\n0.576583 0.246670 0.093513 Mo\n0.631354 0.888149 0.520388 Mo\n0.368646 0.111851 0.479612 Mo\n0.878866 0.867808 0.591616 N\n0.121134 0.132192 0.408384 N\n0.847809 0.341882 0.307703 N\n0.152191 0.658118 0.692297 N\n0.634829 0.247727 0.511022 N\n0.365171 0.752273 0.488978 N\n0.650017 0.945229 0.890912 N\n0.349983 0.054771 0.109088 N\n0.918790 0.683420 0.025671 N\n0.081210 0.316580 0.974329 N\n0.457736 0.376167 0.793575 N\n0.542264 0.623833 0.206425 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Mo",
"N"
],
"chemical_system": "Mo-N-Nb",
"density": 6.483795400035549,
"density_atomic": 0.08456474186193717,
"volume": 236.50518596334837,
"volume_molar": 7.121337601706301,
"formula_full": "Nb4 Mo4 N12",
"formula_reduced": "NbMoN3",
"formula_anonymous": "ABC3",
"energy": -195.11528978,
"energy_per_atom": -9.755764489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.78328978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036303,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.836000Z",
"spacegroup": 2
},
{
"id": "mp-1205788",
"created_at": "2022-09-04T14:40:57.285773Z",
"structure_string": "Ho3 Mg3 Tl3\n1.0\n3.759992 -6.512497 0.000000\n3.759992 6.512497 0.000000\n0.000000 0.000000 4.685554\nHo Mg Tl\n3 3 3\ndirect\n0.571782 0.000000 0.000000 Ho\n0.000000 0.571782 0.000000 Ho\n0.428218 0.428218 0.000000 Ho\n0.244173 0.000000 0.500000 Mg\n0.000000 0.244173 0.500000 Mg\n0.755827 0.755827 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"Tl"
],
"chemical_system": "Ho-Mg-Tl",
"density": 8.545167624455484,
"density_atomic": 0.039220859727151086,
"volume": 229.46972765539985,
"volume_molar": 15.354433334440918,
"formula_full": "Ho3 Mg3 Tl3",
"formula_reduced": "HoMgTl",
"formula_anonymous": "ABC",
"energy": -28.44264704,
"energy_per_atom": -3.1602941155555557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.44264704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.433000Z",
"spacegroup": 189
},
{
"id": "mp-1112275",
"created_at": "2022-09-04T14:40:57.287662Z",
"structure_string": "K2 Sc1 Ag1 F6\n1.0\n0.000000 4.451209 4.451209\n4.451209 0.000000 4.451209\n4.451209 4.451209 0.000000\nK Sc Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.227710 0.227710 0.772290 F\n0.227710 0.772290 0.772290 F\n0.772290 0.772290 0.227710 F\n0.227710 0.772290 0.227710 F\n0.772290 0.227710 0.772290 F\n0.772290 0.227710 0.227710 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Ag",
"F"
],
"chemical_system": "Ag-F-K-Sc",
"density": 3.248016670572745,
"density_atomic": 0.05669386236827348,
"volume": 176.38593636541708,
"volume_molar": 10.622209368769443,
"formula_full": "K2 Sc1 Ag1 F6",
"formula_reduced": "K2ScAgF6",
"formula_anonymous": "ABC2D6",
"energy": -54.64096453,
"energy_per_atom": -5.464096453,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.86896453,
"band_gap": 3.0351,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.556000Z",
"spacegroup": 225
},
{
"id": "mp-1191346",
"created_at": "2022-09-04T14:40:57.290146Z",
"structure_string": "Gd2 Fe17 C3\n1.0\n4.850697 -4.333508 0.000000\n4.850697 4.333508 0.000000\n0.979233 0.000000 6.430370\nGd Fe C\n2 17 3\ndirect\n0.661014 0.661014 0.661014 Gd\n0.338986 0.338986 0.338986 Gd\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.715506 0.284494 0.000000 Fe\n0.000000 0.715506 0.284494 Fe\n0.284494 0.000000 0.715506 Fe\n0.000000 0.284494 0.715506 Fe\n0.715506 0.000000 0.284494 Fe\n0.284494 0.715506 0.000000 Fe\n0.344818 0.344818 0.854617 Fe\n0.854617 0.344818 0.344818 Fe\n0.344818 0.854617 0.344818 Fe\n0.655182 0.655182 0.145383 Fe\n0.145383 0.655182 0.655182 Fe\n0.655182 0.145383 0.655182 Fe\n0.905363 0.905363 0.905363 Fe\n0.094637 0.094637 0.094637 Fe\n0.500000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Gd",
"Fe",
"C"
],
"chemical_system": "C-Fe-Gd",
"density": 7.984511746645063,
"density_atomic": 0.08137911688589114,
"volume": 270.33962571562614,
"volume_molar": 7.400105813932802,
"formula_full": "Gd2 Fe17 C3",
"formula_reduced": "Gd2Fe17C3",
"formula_anonymous": "A2B3C17",
"energy": -201.04770888,
"energy_per_atom": -9.138532221818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.04770888,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.5515172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.370000Z",
"spacegroup": 166
},
{
"id": "mp-1210447",
"created_at": "2022-09-04T14:40:57.298740Z",
"structure_string": "Na2 Fe4 P4 O16\n1.0\n5.145644 0.000000 0.000000\n-1.793860 8.773062 0.000000\n-2.295416 -1.612400 8.602861\nNa Fe P O\n2 4 4 16\ndirect\n0.579083 0.810155 0.300563 Na\n0.420917 0.189845 0.699437 Na\n0.683424 0.622734 0.899616 Fe\n0.316576 0.377266 0.100384 Fe\n0.214887 0.760912 0.599347 Fe\n0.785113 0.239088 0.400653 Fe\n0.911535 0.551568 0.252386 P\n0.088465 0.448432 0.747614 P\n0.821592 0.925867 0.730185 P\n0.178408 0.074133 0.269815 P\n0.833135 0.822555 0.853672 O\n0.166865 0.177445 0.146328 O\n0.791265 0.086577 0.776433 O\n0.208735 0.913423 0.223567 O\n0.257844 0.614167 0.738461 O\n0.742156 0.385833 0.261539 O\n0.811600 0.454584 0.776336 O\n0.188400 0.545416 0.223664 O\n0.295649 0.398467 0.877319 O\n0.704351 0.601533 0.122681 O\n0.091099 0.932455 0.672702 O\n0.908901 0.067545 0.327298 O\n0.949056 0.661326 0.407764 O\n0.050944 0.338674 0.592236 O\n0.571085 0.833676 0.579649 O\n0.428915 0.166324 0.420351 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Na-O-P",
"density": 2.776028122154027,
"density_atomic": 0.06694829284578854,
"volume": 388.35941731762256,
"volume_molar": 8.995211832916556,
"formula_full": "Na2 Fe4 P4 O16",
"formula_reduced": "NaFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -198.185243,
"energy_per_atom": -7.622509346153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.169243,
"band_gap": 1.8351,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.140000Z",
"spacegroup": 2
},
{
"id": "mp-1147689",
"created_at": "2022-09-04T14:40:57.298893Z",
"structure_string": "Ta1 Cu6 O8\n1.0\n0.000000 4.618232 4.618232\n4.618232 0.000000 4.618232\n4.618232 4.618232 0.000000\nTa Cu O\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.134424 0.134424 0.596728 O\n0.134424 0.596728 0.134424 O\n0.596728 0.134424 0.134424 O\n0.865576 0.403272 0.865576 O\n0.134424 0.134424 0.134424 O\n0.865576 0.865576 0.865576 O\n0.865576 0.865576 0.403272 O\n0.403272 0.865576 0.865576 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 5.818068412934971,
"density_atomic": 0.07614370848625118,
"volume": 196.99592124158835,
"volume_molar": 7.90891444575146,
"formula_full": "Ta1 Cu6 O8",
"formula_reduced": "Ta(Cu3O4)2",
"formula_anonymous": "AB6C8",
"energy": -96.71895902,
"energy_per_atom": -6.447930601333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.22295902,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.304000Z",
"spacegroup": 225
},
{
"id": "mp-772832",
"created_at": "2022-09-04T14:40:57.302962Z",
"structure_string": "K4 Lu2 P2 C2 O14\n1.0\n7.041477 0.000000 0.000000\n0.000000 5.786869 0.000000\n0.000000 0.278322 9.885437\nK Lu P C O\n4 2 2 2 14\ndirect\n0.486876 0.245877 0.772863 K\n0.013124 0.245877 0.772863 K\n0.513124 0.754123 0.227137 K\n0.986876 0.754123 0.227137 K\n0.750000 0.777223 0.636530 Lu\n0.250000 0.222777 0.363470 Lu\n0.250000 0.712838 0.569259 P\n0.750000 0.287162 0.430741 P\n0.750000 0.729501 0.907595 C\n0.250000 0.270499 0.092405 C\n0.250000 0.299860 0.966044 O\n0.750000 0.934743 0.845664 O\n0.750000 0.554042 0.823302 O\n0.067319 0.764647 0.650569 O\n0.432681 0.764647 0.650569 O\n0.750000 0.136491 0.565007 O\n0.250000 0.450957 0.532728 O\n0.750000 0.549043 0.467272 O\n0.250000 0.863509 0.434993 O\n0.567319 0.235353 0.349431 O\n0.932681 0.235353 0.349431 O\n0.250000 0.445958 0.176698 O\n0.250000 0.065257 0.154336 O\n0.750000 0.700140 0.033956 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Lu",
"P",
"C",
"O"
],
"chemical_system": "C-K-Lu-O-P",
"density": 3.365031033831751,
"density_atomic": 0.05958102259885854,
"volume": 402.812824505966,
"volume_molar": 10.10748137128377,
"formula_full": "K4 Lu2 P2 C2 O14",
"formula_reduced": "K2LuPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -179.40839802,
"energy_per_atom": -7.4753499175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.79039802,
"band_gap": 4.5152,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.892000Z",
"spacegroup": 11
},
{
"id": "mp-870306",
"created_at": "2022-09-04T14:40:57.304594Z",
"structure_string": "V12 O26\n1.0\n3.743201 0.000000 0.000000\n0.000000 10.300366 0.000000\n0.000000 2.288595 11.942455\nV O\n12 26\ndirect\n0.250000 0.634858 0.463415 V\n0.250000 0.365274 0.036257 V\n0.750000 0.634726 0.963743 V\n0.750000 0.365142 0.536585 V\n0.250000 0.636147 0.162734 V\n0.750000 0.363853 0.837266 V\n0.250000 0.363946 0.336986 V\n0.750000 0.636054 0.663014 V\n0.250000 0.001641 0.102952 V\n0.250000 0.999174 0.400231 V\n0.750000 0.998359 0.897048 V\n0.750000 0.000826 0.599769 V\n0.750000 0.802135 0.636888 O\n0.250000 0.802054 0.135631 O\n0.250000 0.197865 0.363112 O\n0.750000 0.197946 0.864369 O\n0.250000 0.801624 0.426268 O\n0.250000 0.198073 0.072350 O\n0.750000 0.801927 0.927650 O\n0.750000 0.198376 0.573732 O\n0.250000 0.591047 0.310129 O\n0.750000 0.591028 0.810507 O\n0.750000 0.408953 0.689871 O\n0.250000 0.408972 0.189493 O\n0.250000 0.615412 0.630180 O\n0.750000 0.614750 0.130143 O\n0.750000 0.384588 0.369820 O\n0.250000 0.385250 0.869857 O\n0.250000 0.410366 0.496506 O\n0.750000 0.589634 0.503494 O\n0.750000 0.410605 0.996544 O\n0.250000 0.589395 0.003456 O\n0.250000 0.999648 0.245714 O\n0.750000 0.000352 0.754286 O\n0.750000 0.000473 0.066485 O\n0.250000 0.999597 0.571664 O\n0.750000 0.000403 0.428336 O\n0.250000 0.999527 0.933515 O\n",
"nsites": 38,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.7046699847148963,
"density_atomic": 0.08252664279563059,
"volume": 460.457359135563,
"volume_molar": 7.2972079755058745,
"formula_full": "V12 O26",
"formula_reduced": "V6O13",
"formula_anonymous": "A6B13",
"energy": -328.60505244,
"energy_per_atom": -8.64750138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -290.34305244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9994134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.467000Z",
"spacegroup": 11
},
{
"id": "mp-780465",
"created_at": "2022-09-04T14:40:57.308471Z",
"structure_string": "V1 Cr2 Ni3 P6 O24\n1.0\n7.170240 -4.308648 0.000000\n7.170240 4.308648 0.000000\n4.581143 0.000000 6.999280\nV Cr Ni P O\n1 2 3 6 24\ndirect\n0.146189 0.146189 0.146189 V\n0.999000 0.999000 0.999000 Cr\n0.497713 0.497713 0.497713 Cr\n0.642269 0.642269 0.642269 Ni\n0.855442 0.855442 0.855442 Ni\n0.357554 0.357554 0.357554 Ni\n0.952194 0.252661 0.550588 P\n0.550588 0.952194 0.252661 P\n0.252661 0.550588 0.952194 P\n0.749599 0.453071 0.047214 P\n0.453071 0.047214 0.749599 P\n0.047214 0.749599 0.453071 P\n0.505465 0.104128 0.327888 O\n0.327888 0.505465 0.104128 O\n0.104128 0.327888 0.505465 O\n0.937700 0.095737 0.749149 O\n0.015160 0.173405 0.380707 O\n0.751917 0.399212 0.548845 O\n0.749149 0.937700 0.095737 O\n0.548845 0.751917 0.399212 O\n0.827856 0.601962 0.008772 O\n0.399212 0.548845 0.751917 O\n0.912397 0.244055 0.068297 O\n0.601962 0.008772 0.827856 O\n0.380707 0.015160 0.173405 O\n0.095737 0.749149 0.937700 O\n0.599899 0.432918 0.252062 O\n0.173405 0.380707 0.015160 O\n0.432918 0.252062 0.599899 O\n0.244055 0.068297 0.912397 O\n0.252062 0.599899 0.432918 O\n0.008772 0.827856 0.601962 O\n0.068297 0.912397 0.244055 O\n0.893123 0.685512 0.480341 O\n0.685512 0.480341 0.893123 O\n0.480341 0.893123 0.685512 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"V",
"Cr",
"Ni",
"P",
"O"
],
"chemical_system": "Cr-Ni-O-P-V",
"density": 3.458913388457106,
"density_atomic": 0.08324236871664277,
"volume": 432.4720758793408,
"volume_molar": 7.2344658769855315,
"formula_full": "V1 Cr2 Ni3 P6 O24",
"formula_reduced": "VCr2Ni3(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -279.17379848,
"energy_per_atom": -7.754827735555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.36479848,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.002629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.863000Z",
"spacegroup": 146
},
{
"id": "mp-1206677",
"created_at": "2022-09-04T14:40:57.311043Z",
"structure_string": "Rb2 O2\n1.0\n4.327652 0.000000 0.000000\n0.000000 4.057658 0.000000\n0.000000 0.668723 5.857541\nRb O\n2 2\ndirect\n0.750000 0.735648 0.749284 Rb\n0.250000 0.264352 0.250716 Rb\n0.750000 0.767918 0.246503 O\n0.250000 0.232082 0.753497 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"O"
],
"chemical_system": "O-Rb",
"density": 3.2761340376487786,
"density_atomic": 0.03888811424808435,
"volume": 102.85919174383834,
"volume_molar": 15.485813278530607,
"formula_full": "Rb2 O2",
"formula_reduced": "RbO",
"formula_anonymous": "AB",
"energy": -15.58464528,
"energy_per_atom": -3.89616132,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21064528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.194000Z",
"spacegroup": 11
},
{
"id": "mp-863293",
"created_at": "2022-09-04T14:40:57.313402Z",
"structure_string": "K2 Fe6 P4 O24\n1.0\n6.379769 0.000000 0.000000\n0.000000 7.418141 0.000000\n0.000000 0.000000 10.062272\nK Fe P O\n2 6 4 24\ndirect\n0.500000 0.531960 0.033153 K\n0.500000 0.468040 0.533153 K\n0.238153 0.962093 0.494900 Fe\n0.761847 0.962093 0.494900 Fe\n0.761847 0.037907 0.994900 Fe\n0.238153 0.037907 0.994900 Fe\n0.000000 0.301451 0.264408 Fe\n0.000000 0.698549 0.764408 Fe\n0.500000 0.181758 0.257845 P\n0.500000 0.818242 0.757845 P\n0.000000 0.308958 0.579716 P\n0.000000 0.691042 0.079716 P\n0.280314 0.753688 0.422386 O\n0.719686 0.753688 0.422386 O\n0.719686 0.246312 0.922386 O\n0.280314 0.246312 0.922386 O\n0.500000 0.928705 0.625066 O\n0.500000 0.071295 0.125066 O\n0.500000 0.058253 0.384896 O\n0.500000 0.941747 0.884896 O\n0.201261 0.188456 0.590562 O\n0.798739 0.188456 0.590562 O\n0.798739 0.811544 0.090562 O\n0.201261 0.811544 0.090562 O\n0.000000 0.045763 0.378368 O\n0.000000 0.954237 0.878368 O\n0.000000 0.855076 0.600126 O\n0.000000 0.144924 0.100126 O\n0.306350 0.304257 0.262840 O\n0.693650 0.304257 0.262840 O\n0.693650 0.695743 0.762840 O\n0.306350 0.695743 0.762840 O\n0.000000 0.406151 0.444019 O\n0.000000 0.593849 0.944019 O\n0.000000 0.449378 0.689027 O\n0.000000 0.550622 0.189027 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-K-O-P",
"density": 3.212048288733877,
"density_atomic": 0.07559732181459648,
"volume": 476.20734618470374,
"volume_molar": 7.9660768601953755,
"formula_full": "K2 Fe6 P4 O24",
"formula_reduced": "KFe3(PO6)2",
"formula_anonymous": "AB2C3D12",
"energy": -258.66812118,
"energy_per_atom": -7.185225588333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.64412118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0004973,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.320000Z",
"spacegroup": 26
},
{
"id": "mp-1174743",
"created_at": "2022-09-04T14:40:57.325475Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.974498 0.000000 0.000000\n0.415866 5.952117 0.000000\n1.360203 1.651329 14.175667\nLi Mn Co O\n8 2 4 14\ndirect\n0.997170 0.497654 0.001612 Li\n0.577655 0.781020 0.849443 Li\n0.148934 0.083173 0.709320 Li\n0.428279 0.216166 0.145766 Li\n0.856664 0.928888 0.286632 Li\n0.283045 0.642084 0.430206 Li\n0.710365 0.362110 0.577042 Li\n0.136611 0.563655 0.709336 Li\n0.005198 0.999573 0.002142 Mn\n0.578727 0.295293 0.851033 Mn\n0.706951 0.847560 0.576522 Co\n0.286428 0.143356 0.429945 Co\n0.857066 0.426641 0.287200 Co\n0.426215 0.710484 0.144770 Co\n0.469410 0.754586 0.006044 O\n0.095636 0.062234 0.860850 O\n0.632991 0.317177 0.723293 O\n0.897135 0.474015 0.151010 O\n0.325353 0.186859 0.293716 O\n0.753023 0.904530 0.439378 O\n0.184650 0.628556 0.569637 O\n0.538428 0.242749 0.994117 O\n0.051384 0.507731 0.856080 O\n0.651266 0.829863 0.699464 O\n0.957250 0.950835 0.140416 O\n0.386959 0.666035 0.279859 O\n0.814124 0.381140 0.421524 O\n0.243083 0.096033 0.563644 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.136087638365134,
"density_atomic": 0.11156536430840827,
"volume": 250.97394853296547,
"volume_molar": 5.397858732708977,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.3139163,
"energy_per_atom": -6.511211296428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.8079163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.5502707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.123000Z",
"spacegroup": 1
}
]
}