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=is_magnetic&page=11505",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11503",
"results": [
{
"id": "mp-1520996",
"created_at": "2022-09-04T14:45:15.835273Z",
"structure_string": "Ba2 Ca2 Eu2 W2 O12\n1.0\n5.932092 -0.013351 -0.022178\n-0.016602 5.957327 -0.037455\n-0.034978 -0.056140 8.391167\nBa Ca Eu W O\n2 2 2 2 12\ndirect\n0.503760 0.525356 0.250814 Ba\n0.496240 0.474644 0.749186 Ba\n-0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.994026 0.040116 0.252517 Eu\n0.005974 0.959884 0.747483 Eu\n0.500000 0.000000 0.000000 W\n-0.000000 0.500000 0.500000 W\n0.239423 0.193852 0.954827 O\n0.260017 0.699927 0.528632 O\n0.760577 0.806148 0.045173 O\n0.739983 0.300073 0.471368 O\n0.302564 0.740622 0.961651 O\n0.187401 0.232560 0.541122 O\n0.697436 0.259378 0.038349 O\n0.812599 0.767440 0.458878 O\n0.414362 0.998037 0.226789 O\n0.058376 0.465177 0.271003 O\n0.585638 0.001963 0.773211 O\n0.941624 0.534823 0.728997 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Ca-Eu-O-W",
"density": 6.823213689787903,
"density_atomic": 0.06744909564107882,
"volume": 296.51991342370667,
"volume_molar": 8.928423283902875,
"formula_full": "Ba2 Ca2 Eu2 W2 O12",
"formula_reduced": "BaCaEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -173.82673486000002,
"energy_per_atom": -8.691336743,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.70673486,
"band_gap": 0.1995000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.194000Z",
"spacegroup": 2
},
{
"id": "mp-2721",
"created_at": "2022-09-04T14:45:12.723286Z",
"structure_string": "Ce2 O3\n1.0\n1.915568 -3.317861 0.000000\n1.915568 3.317861 0.000000\n0.000000 0.000000 6.070966\nCe O\n2 3\ndirect\n0.666667 0.333333 0.754120 Ce\n0.333333 0.666667 0.245880 Ce\n0.666667 0.333333 0.357418 O\n0.333333 0.666667 0.642582 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ce",
"O"
],
"chemical_system": "Ce-O",
"density": 7.062916591738858,
"density_atomic": 0.06479275506380834,
"volume": 77.16912168769434,
"volume_molar": 9.294466262577282,
"formula_full": "Ce2 O3",
"formula_reduced": "Ce2O3",
"formula_anonymous": "A2B3",
"energy": -45.33804759,
"energy_per_atom": -9.067609518000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.27704759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.985000Z",
"spacegroup": 164
},
{
"id": "mp-861457",
"created_at": "2022-09-04T14:45:12.727552Z",
"structure_string": "Li4 V8 O4 F20\n1.0\n4.661808 0.000000 0.000000\n-0.006361 5.202344 0.000000\n-0.063073 -0.070102 17.085621\nLi V O F\n4 8 4 20\ndirect\n0.018326 0.751516 0.620484 Li\n0.994196 0.245106 0.382381 Li\n0.499480 0.749531 0.120088 Li\n0.508838 0.232140 0.882065 Li\n0.020520 0.275950 0.716655 V\n0.974959 0.753465 0.943013 V\n0.996136 0.250761 0.048289 V\n0.969629 0.766713 0.284236 V\n0.501302 0.750830 0.784135 V\n0.518990 0.757454 0.443500 V\n0.510151 0.230217 0.216423 V\n0.504028 0.255600 0.549049 V\n0.732622 0.934327 0.209493 O\n0.771966 0.898664 0.373251 O\n0.726358 0.880962 0.870662 O\n0.244062 0.568581 0.714720 O\n0.772585 0.919359 0.037572 F\n0.765627 0.406164 0.963410 F\n0.735919 0.410456 0.792723 F\n0.767515 0.417513 0.624592 F\n0.732907 0.407311 0.125342 F\n0.769816 0.936697 0.707007 F\n0.761211 0.418652 0.293149 F\n0.724491 0.921555 0.538423 F\n0.728105 0.411181 0.463037 F\n0.284003 0.586593 0.536429 F\n0.281078 0.091899 0.463047 F\n0.233195 0.086758 0.293756 F\n0.258189 0.093731 0.124578 F\n0.259067 0.582853 0.874653 F\n0.242463 0.099568 0.625808 F\n0.238760 0.590954 0.372066 F\n0.260584 0.567061 0.211598 F\n0.267201 0.079184 0.794220 F\n0.213471 0.088855 0.962076 F\n0.212253 0.581839 0.038070 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.523570929980915,
"density_atomic": 0.08687969415652788,
"volume": 414.3660995760431,
"volume_molar": 6.931586049497522,
"formula_full": "Li4 V8 O4 F20",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy": -247.65016863,
"energy_per_atom": -6.879171350833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.06216863,
"band_gap": 0.7676000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.941000Z",
"spacegroup": 1
},
{
"id": "mp-1104005",
"created_at": "2022-09-04T14:47:12.605382Z",
"structure_string": "Zr1 Ni1 O6 F6\n1.0\n3.981409 -4.423254 0.000000\n3.981409 4.423254 0.000000\n-0.932723 0.000000 5.877655\nZr Ni O F\n1 1 6 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Ni\n0.788663 0.440240 0.601973 O\n0.440240 0.601973 0.788663 O\n0.601973 0.788663 0.440240 O\n0.211337 0.559760 0.398027 O\n0.559760 0.398027 0.211337 O\n0.398027 0.211337 0.559760 O\n0.713824 0.813905 0.073050 F\n0.813905 0.073050 0.713824 F\n0.073050 0.713824 0.813905 F\n0.286176 0.186095 0.926950 F\n0.186095 0.926950 0.286176 F\n0.926950 0.286176 0.186095 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O-Zr",
"density": 2.886843735796052,
"density_atomic": 0.06762624545840372,
"volume": 207.02021685665324,
"volume_molar": 8.905034900546362,
"formula_full": "Zr1 Ni1 O6 F6",
"formula_reduced": "ZrNi(OF)6",
"formula_anonymous": "ABC6D6",
"energy": -69.69566528,
"energy_per_atom": -4.978261805714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.26066528,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0003242,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.540000Z",
"spacegroup": 148
},
{
"id": "mp-1239158",
"created_at": "2022-09-04T14:45:08.619279Z",
"structure_string": "Ta4 Cr12 Cu8 S32\n1.0\n11.509681 -0.495980 0.000000\n-0.309021 7.080468 0.000000\n0.000000 0.000000 11.831439\nTa Cr Cu S\n4 12 8 32\ndirect\n0.089313 0.819132 0.680046 Ta\n0.910687 0.180868 0.180046 Ta\n0.381748 0.340307 0.828683 Ta\n0.618252 0.659693 0.328683 Ta\n0.376457 0.918618 0.195841 Cr\n0.623543 0.081382 0.695841 Cr\n0.121362 0.409518 0.325408 Cr\n0.878638 0.590482 0.825408 Cr\n0.162980 0.555767 0.957823 Cr\n0.837020 0.444233 0.457823 Cr\n0.349909 0.652656 0.459669 Cr\n0.650091 0.347345 0.959669 Cr\n0.144625 0.072170 0.965761 Cr\n0.855375 0.927830 0.465761 Cr\n0.347052 0.160232 0.466943 Cr\n0.652948 0.839768 0.966943 Cr\n0.118752 0.384381 0.682553 Cu\n0.881248 0.615619 0.182553 Cu\n0.435941 0.442079 0.186318 Cu\n0.564059 0.557921 0.686318 Cu\n0.144923 0.839501 0.334639 Cu\n0.855077 0.160499 0.834639 Cu\n0.369920 0.888967 0.828951 Cu\n0.630080 0.111033 0.328951 Cu\n0.040150 0.790031 0.883592 S\n0.959850 0.209969 0.383592 S\n0.466857 0.909072 0.382671 S\n0.533143 0.090928 0.882671 S\n0.040615 0.444275 0.132287 S\n0.959385 0.555725 0.632287 S\n0.465433 0.273658 0.640604 S\n0.534567 0.726342 0.140604 S\n0.029657 0.326003 0.864388 S\n0.970343 0.673997 0.364388 S\n0.472869 0.423072 0.390749 S\n0.527131 0.576928 0.890749 S\n0.031273 0.959231 0.132990 S\n0.968727 0.040769 0.632990 S\n0.482729 0.832465 0.660704 S\n0.517271 0.167535 0.160704 S\n0.225384 0.880166 0.527570 S\n0.774616 0.119834 0.027570 S\n0.282244 0.844589 0.015321 S\n0.717756 0.155411 0.515321 S\n0.213892 0.388928 0.508791 S\n0.786108 0.611072 0.008791 S\n0.288811 0.321949 0.017099 S\n0.711189 0.678051 0.517099 S\n0.226436 0.088553 0.779983 S\n0.773564 0.911447 0.279983 S\n0.241268 0.124459 0.294963 S\n0.758732 0.875541 0.794963 S\n0.261047 0.590441 0.777130 S\n0.738953 0.409559 0.277130 S\n0.275369 0.622419 0.272525 S\n0.724631 0.377581 0.772525 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Ta",
"density": 4.973096134619192,
"density_atomic": 0.058189251028923056,
"volume": 962.3770543491806,
"volume_molar": 10.349232295508815,
"formula_full": "Ta4 Cr12 Cu8 S32",
"formula_reduced": "TaCr3(CuS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -371.4546441,
"energy_per_atom": -6.633118644642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.3586441,
"band_gap": 0.1075999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 36.0009967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.070000Z",
"spacegroup": 4
},
{
"id": "mp-1215886",
"created_at": "2022-09-04T14:45:08.630126Z",
"structure_string": "Zn1 Fe3 Sn2 S8\n1.0\n-3.562372 3.622823 5.041696\n3.562372 -3.622823 5.041696\n3.562372 3.622823 -5.041696\nZn Fe Sn S\n1 3 2 8\ndirect\n0.991532 0.991532 0.000000 Zn\n0.376163 0.626005 0.249842 Fe\n0.376163 0.126322 0.750158 Fe\n0.755729 0.255729 0.500000 Fe\n0.872624 0.623993 0.248632 Sn\n0.375361 0.623993 0.751368 Sn\n0.149235 0.901245 0.752010 S\n0.149235 0.397225 0.247990 S\n0.584406 0.876499 0.707907 S\n0.168592 0.876499 0.292093 S\n0.604047 0.342693 0.738645 S\n0.604048 0.865402 0.261355 S\n0.157432 0.371432 0.786000 S\n0.585432 0.371432 0.214000 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zn",
"Fe",
"Sn",
"S"
],
"chemical_system": "Fe-S-Sn-Zn",
"density": 4.637577445804398,
"density_atomic": 0.053790428518390034,
"volume": 260.2693524780833,
"volume_molar": 11.195561972407662,
"formula_full": "Zn1 Fe3 Sn2 S8",
"formula_reduced": "ZnFe3(SnS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -77.13811002,
"energy_per_atom": -5.5098650014285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.11411002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0017045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.472000Z",
"spacegroup": 44
},
{
"id": "mp-972147",
"created_at": "2022-09-04T14:45:08.634344Z",
"structure_string": "U2 Zn6\n1.0\n3.161853 -5.476490 0.000000\n3.161853 5.476490 0.000000\n0.000000 0.000000 4.386951\nU Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 U\n0.666667 0.333333 0.250000 U\n0.150138 0.300277 0.250000 Zn\n0.699723 0.849862 0.250000 Zn\n0.150138 0.849862 0.250000 Zn\n0.849862 0.699723 0.750000 Zn\n0.300277 0.150138 0.750000 Zn\n0.849862 0.150138 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"Zn"
],
"chemical_system": "U-Zn",
"density": 9.492663314622943,
"density_atomic": 0.05265665094824195,
"volume": 151.92762653787986,
"volume_molar": 11.436619404297799,
"formula_full": "U2 Zn6",
"formula_reduced": "UZn3",
"formula_anonymous": "AB3",
"energy": -28.95496769,
"energy_per_atom": -3.61937096125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.95496769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2340997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.509000Z",
"spacegroup": 194
},
{
"id": "mp-780389",
"created_at": "2022-09-04T14:45:15.838569Z",
"structure_string": "Li5 Mn10 B10 O30\n1.0\n-5.791273 0.000000 0.000000\n2.209414 8.890936 0.000000\n-0.420873 -3.171170 -12.034569\nLi Mn B O\n5 10 10 30\ndirect\n0.035885 0.661993 0.708306 Li\n0.168712 0.944469 0.500118 Li\n0.765489 0.745581 0.097939 Li\n0.557900 0.143978 0.898554 Li\n0.962526 0.343114 0.297087 Li\n0.166718 0.562410 0.913325 Mn\n0.247483 0.622037 0.497008 Mn\n0.033545 0.027940 0.289803 Mn\n0.560524 0.767260 0.314354 Mn\n0.354198 0.167388 0.109268 Mn\n0.630296 0.823266 0.885630 Mn\n0.441961 0.255677 0.696334 Mn\n0.961958 0.994130 0.714940 Mn\n0.748393 0.366920 0.506484 Mn\n0.842007 0.428029 0.095367 Mn\n0.039214 0.685171 0.291345 B\n0.161889 0.906577 0.904076 B\n0.432345 0.900301 0.690368 B\n0.226927 0.277843 0.484465 B\n0.372091 0.511496 0.110486 B\n0.640268 0.484760 0.895746 B\n0.775283 0.712588 0.517357 B\n0.563836 0.108987 0.305949 B\n0.832558 0.081739 0.085696 B\n0.962501 0.327739 0.711243 B\n0.020374 0.482456 0.754942 O\n0.204773 0.749158 0.381249 O\n0.997633 0.149068 0.176373 O\n0.330697 0.003149 0.656113 O\n0.124925 0.379810 0.446723 O\n0.288469 0.801460 0.920596 O\n0.100638 0.230924 0.731769 O\n0.166266 0.445783 0.041072 O\n0.355162 0.741878 0.650214 O\n0.159579 0.120020 0.443464 O\n0.451021 0.666106 0.151060 O\n0.237192 0.060996 0.945806 O\n0.605741 0.958602 0.778021 O\n0.398437 0.340833 0.569916 O\n0.525512 0.584937 0.866773 O\n0.499319 0.405566 0.125531 O\n0.574784 0.646746 0.444569 O\n0.357210 0.045344 0.237128 O\n0.776636 0.924538 0.041596 O\n0.577339 0.327062 0.849349 O\n0.853442 0.867297 0.555779 O\n0.642982 0.264324 0.345264 O\n0.815891 0.548892 0.980824 O\n0.931447 0.782776 0.252501 O\n0.726166 0.181357 0.048637 O\n0.901743 0.609024 0.542579 O\n0.692908 0.005068 0.322958 O\n0.962240 0.840298 0.827711 O\n0.762474 0.256318 0.639361 O\n0.977958 0.526772 0.248796 O\n",
"nsites": 55,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.141162444424886,
"density_atomic": 0.08875863734018442,
"volume": 619.6580034143832,
"volume_molar": 6.784850399312684,
"formula_full": "Li5 Mn10 B10 O30",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -450.24392625,
"energy_per_atom": -8.186253204545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -412.95392625,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 45.1064801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.605000Z",
"spacegroup": 1
},
{
"id": "mp-779164",
"created_at": "2022-09-04T14:45:12.678059Z",
"structure_string": "Li4 Fe2 Ni3 Te3 O16\n1.0\n6.115848 0.000000 0.000000\n-2.982586 -5.378456 0.000000\n-0.150492 0.027086 -9.724789\nLi Fe Ni Te O\n4 2 3 3 16\ndirect\n0.337329 0.666719 0.123916 Li\n0.020281 0.980892 0.012764 Li\n0.004942 0.981694 0.492692 Li\n0.686450 0.334543 0.595953 Li\n0.316844 0.681767 0.491437 Fe\n0.626579 0.337731 0.028821 Fe\n0.176117 0.836381 0.785672 Ni\n0.825271 0.663440 0.284561 Ni\n0.335632 0.174251 0.287409 Ni\n0.664394 0.829227 0.784073 Te\n0.167765 0.340413 0.782657 Te\n0.826380 0.172928 0.285678 Te\n0.674668 0.864081 0.400806 O\n0.512939 0.536587 0.659381 O\n0.362741 0.687530 0.899294 O\n0.975790 0.975016 0.679688 O\n0.986162 0.011007 0.193243 O\n0.139019 0.324206 0.403611 O\n0.501158 0.963752 0.664559 O\n0.048537 0.527526 0.653616 O\n0.818644 0.130830 0.898436 O\n0.167094 0.838860 0.398389 O\n0.955835 0.459830 0.157853 O\n0.529956 0.037201 0.163326 O\n0.677058 0.329454 0.394410 O\n0.822872 0.679218 0.897970 O\n0.511020 0.483140 0.160829 O\n0.328822 0.152074 0.911115 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Ni",
"Te",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Te",
"density": 4.953939814159677,
"density_atomic": 0.08753133272022245,
"volume": 319.88545278405354,
"volume_molar": 6.879982941935372,
"formula_full": "Li4 Fe2 Ni3 Te3 O16",
"formula_reduced": "Li4Fe2Ni3Te3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -176.18899082,
"energy_per_atom": -6.292463957857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.06199082,
"band_gap": 1.0670000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9997978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.789000Z",
"spacegroup": 1
},
{
"id": "mp-1175920",
"created_at": "2022-09-04T14:45:08.645540Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.928909 0.000000 0.000000\n-2.614845 -5.877023 0.000000\n-2.840619 0.102213 -8.129486\nLi Mn Co O\n9 2 5 16\ndirect\n0.761820 0.752807 0.257083 Li\n0.257628 0.005645 0.498457 Li\n0.243817 0.743967 0.256989 Li\n0.743531 0.006795 0.492209 Li\n0.748220 0.254932 0.742873 Li\n0.246786 0.250555 0.745539 Li\n0.246456 0.489982 0.004750 Li\n0.757969 0.503452 0.003970 Li\n0.500585 0.249862 0.255558 Li\n0.008596 0.004898 0.999983 Mn\n0.505506 0.004859 0.001522 Mn\n0.986475 0.491684 0.498616 Co\n0.501496 0.748977 0.747128 Co\n0.001380 0.252592 0.250803 Co\n0.494737 0.494664 0.499751 Co\n0.999275 0.749054 0.748031 Co\n0.106666 0.011131 0.236140 O\n0.615722 0.267644 0.500191 O\n0.656818 0.022824 0.237966 O\n0.099541 0.256405 0.485567 O\n0.115475 0.515097 0.739226 O\n0.613532 0.513052 0.739970 O\n0.646565 0.774839 0.989740 O\n0.110598 0.757696 0.990857 O\n0.338873 0.473882 0.264304 O\n0.890530 0.738996 0.511926 O\n0.888325 0.484263 0.261654 O\n0.386692 0.736016 0.510544 O\n0.390061 0.986699 0.759934 O\n0.889928 0.988992 0.760378 O\n0.898777 0.247068 0.010099 O\n0.347624 0.220670 0.998243 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.238312863782094,
"density_atomic": 0.11296781163533572,
"volume": 283.26652996782116,
"volume_molar": 5.330846612696804,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.35613483,
"energy_per_atom": -6.5111292134375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.83813483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.618000Z",
"spacegroup": 1
},
{
"id": "mp-1396459",
"created_at": "2022-09-04T14:45:08.640593Z",
"structure_string": "Cr8 O21\n1.0\n-5.458301 0.000000 0.000000\n1.508595 6.577611 0.000000\n-0.566352 -3.300442 -12.446803\nCr O\n8 21\ndirect\n0.734701 0.205592 0.527899 Cr\n0.858849 0.786005 0.073814 Cr\n0.653390 0.362212 0.748896 Cr\n0.300235 0.765723 0.903571 Cr\n0.699765 0.234277 0.096429 Cr\n0.141151 0.213995 0.926186 Cr\n0.346610 0.637788 0.251104 Cr\n0.265299 0.794408 0.472101 Cr\n0.908662 0.102492 0.055289 O\n0.634034 0.131405 0.219767 O\n0.374680 0.678910 0.381970 O\n0.831553 0.488778 0.076535 O\n0.022909 0.880722 0.421592 O\n0.368874 0.289743 0.803327 O\n0.846686 0.223747 0.825850 O\n0.189050 0.617777 0.580951 O\n0.153314 0.776253 0.174150 O\n0.760832 0.604864 0.741126 O\n0.625320 0.321090 0.618030 O\n0.500000 0.000000 0.500000 O\n0.436982 0.203896 0.023348 O\n0.631126 0.710257 0.196673 O\n0.810950 0.382223 0.419049 O\n0.239168 0.395136 0.258874 O\n0.168447 0.511222 0.923465 O\n0.977091 0.119278 0.578408 O\n0.365966 0.868595 0.780233 O\n0.563018 0.796104 0.976652 O\n0.091338 0.897508 0.944711 O\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.794204315493024,
"density_atomic": 0.06489548985319786,
"volume": 446.87234915094746,
"volume_molar": 9.279752373582317,
"formula_full": "Cr8 O21",
"formula_reduced": "Cr8O21",
"formula_anonymous": "A8B21",
"energy": -201.09800348,
"energy_per_atom": -6.934413913103448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.67900348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2968155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.784000Z",
"spacegroup": 2
},
{
"id": "mp-770757",
"created_at": "2022-09-04T14:45:08.646444Z",
"structure_string": "Li4 Mn2 Fe6 O16\n1.0\n2.953905 -5.116314 0.000000\n2.953905 5.116314 0.000000\n0.000000 0.000000 9.551628\nLi Mn Fe O\n4 2 6 16\ndirect\n0.333333 0.666667 0.896762 Li\n0.000000 0.000000 0.994141 Li\n0.000000 0.000000 0.494141 Li\n0.666667 0.333333 0.396762 Li\n0.333333 0.666667 0.482322 Mn\n0.666667 0.333333 0.982322 Mn\n0.169335 0.830665 0.212080 Fe\n0.169335 0.338669 0.212080 Fe\n0.661331 0.830665 0.212080 Fe\n0.338669 0.169335 0.712080 Fe\n0.830665 0.661331 0.712080 Fe\n0.830665 0.169335 0.712080 Fe\n0.168913 0.831087 0.597758 O\n0.041746 0.520873 0.346870 O\n0.333333 0.666667 0.103912 O\n0.000000 0.000000 0.306680 O\n0.000000 0.000000 0.806680 O\n0.168913 0.337826 0.597758 O\n0.479127 0.958254 0.346870 O\n0.479127 0.520873 0.346870 O\n0.337826 0.168913 0.097758 O\n0.662174 0.831087 0.597758 O\n0.520873 0.479127 0.846870 O\n0.520873 0.041746 0.846870 O\n0.666667 0.333333 0.603912 O\n0.831087 0.662174 0.097758 O\n0.958254 0.479127 0.846870 O\n0.831087 0.168913 0.097758 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.191187104188661,
"density_atomic": 0.09698329194838495,
"volume": 288.70952343937506,
"volume_molar": 6.209462103230128,
"formula_full": "Li4 Mn2 Fe6 O16",
"formula_reduced": "Li2MnFe3O8",
"formula_anonymous": "AB2C3D8",
"energy": -205.85933762,
"energy_per_atom": -7.352119200714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.99533762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.0001132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.485000Z",
"spacegroup": 186
}
]
}