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=12138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12136",
"results": [
{
"id": "mp-1304173",
"created_at": "2022-09-04T14:39:44.796738Z",
"structure_string": "Na2 V10 O16\n1.0\n0.000261 3.072117 -0.000197\n-9.644387 -1.537396 7.127504\n5.762370 1.536123 6.857191\nNa V O\n2 10 16\ndirect\n0.999077 0.997201 0.001831 Na\n0.003456 0.502704 0.498138 Na\n0.498173 0.750009 0.750015 V\n0.849687 0.559492 0.867183 V\n0.849832 0.060537 0.367720 V\n0.156888 0.439508 0.132211 V\n0.157553 0.940462 0.632869 V\n0.502801 0.249995 0.250034 V\n0.795945 0.713006 0.118459 V\n0.801168 0.214941 0.617978 V\n0.203163 0.285065 0.882038 V\n0.201371 0.787023 0.381500 V\n0.914772 0.729278 0.894087 O\n0.921038 0.230489 0.394322 O\n0.083990 0.269539 0.105702 O\n0.079603 0.770711 0.605910 O\n0.426030 0.575429 0.724921 O\n0.429250 0.075353 0.224694 O\n0.578373 0.424675 0.275248 O\n0.575743 0.924529 0.775170 O\n0.304189 0.816950 0.165198 O\n0.325084 0.317719 0.667068 O\n0.673962 0.182302 0.832948 O\n0.652272 0.683080 0.334743 O\n0.274967 0.590117 0.050422 O\n0.274071 0.090256 0.549136 O\n0.732044 0.409720 0.950902 O\n0.735498 0.909910 0.449554 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 4.091007111342311,
"density_atomic": 0.0850182627685023,
"volume": 329.3410037822307,
"volume_molar": 7.083349581486734,
"formula_full": "Na2 V10 O16",
"formula_reduced": "NaV5O8",
"formula_anonymous": "AB5C8",
"energy": -239.93865774,
"energy_per_atom": -8.56923777642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.94665774,
"band_gap": 1.4611000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0197449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.095000Z",
"spacegroup": 5
},
{
"id": "mp-753904",
"created_at": "2022-09-04T14:39:44.798398Z",
"structure_string": "Mn7 O7 F1\n1.0\n1.768131 -3.062493 0.000000\n1.768131 3.062493 0.000000\n0.000000 0.000000 19.569485\nMn O F\n7 7 1\ndirect\n0.333333 0.666667 0.079631 Mn\n0.333333 0.666667 0.350696 Mn\n0.333333 0.666667 0.617421 Mn\n0.333333 0.666667 0.871869 Mn\n0.666667 0.333333 0.216297 Mn\n0.666667 0.333333 0.483928 Mn\n0.666667 0.333333 0.742541 Mn\n0.333333 0.666667 0.243116 O\n0.333333 0.666667 0.508663 O\n0.333333 0.666667 0.740275 O\n0.666667 0.333333 0.109183 O\n0.666667 0.333333 0.375969 O\n0.666667 0.333333 0.640171 O\n0.666667 0.333333 0.842951 O\n0.333333 0.666667 0.975241 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.039520471460775,
"density_atomic": 0.07077702820042599,
"volume": 211.9331707107437,
"volume_molar": 8.508609238221386,
"formula_full": "Mn7 O7 F1",
"formula_reduced": "Mn7O7F",
"formula_anonymous": "AB7C7",
"energy": -131.16690778999998,
"energy_per_atom": -8.744460519333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.21990779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 33.9996496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.145000Z",
"spacegroup": 156
},
{
"id": "mp-999192",
"created_at": "2022-09-04T14:39:44.800062Z",
"structure_string": "Si2 Ni2\n1.0\n3.060501 0.000000 0.000000\n0.000000 3.243640 0.000000\n0.000000 0.000000 4.697423\nSi Ni\n2 2\ndirect\n0.500000 0.500000 0.156572 Si\n0.000000 0.000000 0.843428 Si\n0.500000 0.500000 0.657562 Ni\n0.000000 0.000000 0.342438 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"Ni"
],
"chemical_system": "Ni-Si",
"density": 6.180283407089854,
"density_atomic": 0.08577784836417474,
"volume": 46.63208597886219,
"volume_molar": 7.020624642428263,
"formula_full": "Si2 Ni2",
"formula_reduced": "SiNi",
"formula_anonymous": "AB",
"energy": -24.08166101,
"energy_per_atom": -6.0204152525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.22366101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0069442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.269000Z",
"spacegroup": 59
},
{
"id": "mp-625274",
"created_at": "2022-09-04T14:39:44.803880Z",
"structure_string": "H20 I4 O24\n1.0\n18.464062 0.000000 0.000000\n0.000000 4.921963 0.000000\n0.000000 1.914683 5.176516\nH I O\n20 4 24\ndirect\n0.545465 0.638579 0.022093 H\n0.993006 0.954635 0.348413 H\n0.493006 0.045365 0.651587 H\n0.045465 0.361421 0.977907 H\n0.609630 0.196538 0.488372 H\n0.979876 0.589957 0.089462 H\n0.479876 0.410043 0.910538 H\n0.109630 0.803462 0.511628 H\n0.965264 0.355887 0.602652 H\n0.465264 0.644113 0.397348 H\n0.690244 0.789146 0.889064 H\n0.800197 0.335544 0.353965 H\n0.300197 0.664456 0.646035 H\n0.190244 0.210854 0.110936 H\n0.864127 0.758477 0.840281 H\n0.364127 0.241523 0.159719 H\n0.706944 0.491959 0.664579 H\n0.773230 0.994977 0.115783 H\n0.273230 0.005023 0.884217 H\n0.206944 0.508041 0.335421 H\n0.615715 0.172325 0.973801 I\n0.872295 0.738022 0.405329 I\n0.372295 0.261978 0.594671 I\n0.115715 0.827675 0.026199 I\n0.534904 0.460868 0.952584 O\n0.944825 0.020727 0.393736 O\n0.444825 0.979273 0.606264 O\n0.034904 0.539132 0.047416 O\n0.575110 0.185314 0.647025 O\n0.909538 0.659463 0.125236 O\n0.409538 0.340537 0.874764 O\n0.075110 0.814686 0.352975 O\n0.557837 0.855506 0.128271 O\n0.923618 0.434268 0.668448 O\n0.423618 0.565732 0.331552 O\n0.057837 0.144494 0.871729 O\n0.701792 0.970894 0.929134 O\n0.788570 0.492381 0.425020 O\n0.288570 0.507619 0.574980 O\n0.201792 0.029106 0.070866 O\n0.650507 0.215356 0.265780 O\n0.829815 0.814920 0.688409 O\n0.329815 0.185080 0.311591 O\n0.150507 0.784644 0.734220 O\n0.669449 0.530800 0.777523 O\n0.815913 0.061640 0.194078 O\n0.315913 0.938360 0.805922 O\n0.169449 0.469200 0.222477 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"I",
"O"
],
"chemical_system": "H-I-O",
"density": 3.2183076948090195,
"density_atomic": 0.10203239530634883,
"volume": 470.438823433299,
"volume_molar": 5.902185028508568,
"formula_full": "H20 I4 O24",
"formula_reduced": "H5IO6",
"formula_anonymous": "AB5C6",
"energy": -239.29242031,
"energy_per_atom": -4.985258756458333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.80442031,
"band_gap": 1.8659,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.859000Z",
"spacegroup": 4
},
{
"id": "mp-1253219",
"created_at": "2022-09-04T14:39:44.810078Z",
"structure_string": "Al2 O6\n1.0\n5.378320 -0.068688 -0.046966\n3.006407 4.460108 -0.046966\n3.006407 1.574577 4.173187\nAl O\n2 6\ndirect\n0.161909 0.161909 0.161909 Al\n0.661909 0.661909 0.661909 Al\n0.411913 0.924950 0.898928 O\n0.898928 0.411913 0.924950 O\n0.924950 0.898928 0.411913 O\n0.911913 0.398928 0.424950 O\n0.398928 0.424950 0.911913 O\n0.424950 0.911913 0.398928 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 2.44652419393054,
"density_atomic": 0.07859890337727463,
"volume": 101.7825905483695,
"volume_molar": 7.6618635899965835,
"formula_full": "Al2 O6",
"formula_reduced": "AlO3",
"formula_anonymous": "AB3",
"energy": -49.88079658,
"energy_per_atom": -6.2350995725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.75879658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9983442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.093000Z",
"spacegroup": 167
},
{
"id": "mp-1035359",
"created_at": "2022-09-04T14:39:45.332329Z",
"structure_string": "Mg14 Nb1 Cu1 O16\n1.0\n8.638389 0.000000 0.000000\n0.000000 8.638389 0.000000\n0.000000 0.000000 4.256086\nMg Nb Cu O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.244899 0.500000 Mg\n0.000000 0.755101 0.500000 Mg\n0.500000 0.239894 0.500000 Mg\n0.500000 0.760106 0.500000 Mg\n0.244899 0.000000 0.500000 Mg\n0.239894 0.500000 0.500000 Mg\n0.755101 0.000000 0.500000 Mg\n0.760106 0.500000 0.500000 Mg\n0.242137 0.242137 0.000000 Mg\n0.242137 0.757863 0.000000 Mg\n0.757863 0.242137 0.000000 Mg\n0.757863 0.757863 0.000000 Mg\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.000000 Cu\n0.264668 0.000000 0.000000 O\n0.246200 0.500000 0.000000 O\n0.735332 0.000000 0.000000 O\n0.753800 0.500000 0.000000 O\n0.251517 0.251517 0.500000 O\n0.251517 0.748483 0.500000 O\n0.748483 0.251517 0.500000 O\n0.748483 0.748483 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.264668 0.000000 O\n0.000000 0.735332 0.000000 O\n0.500000 0.246200 0.000000 O\n0.500000 0.753800 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-Nb-O",
"density": 3.9355232114252283,
"density_atomic": 0.10075673114683782,
"volume": 317.5966472489545,
"volume_molar": 5.976911608241473,
"formula_full": "Mg14 Nb1 Cu1 O16",
"formula_reduced": "Mg14NbCuO16",
"formula_anonymous": "ABC14D16",
"energy": -205.54132656,
"energy_per_atom": -6.423166455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.54932656,
"band_gap": 0.5971999999999991,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0891533,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.075000Z",
"spacegroup": 123
},
{
"id": "mp-1218158",
"created_at": "2022-09-04T14:39:45.332407Z",
"structure_string": "Ta4 In1 Bi3 O16\n1.0\n0.037829 5.516449 0.029491\n-7.629004 0.414241 -1.646043\n-0.070329 0.050467 7.744261\nTa In Bi O\n4 1 3 16\ndirect\n0.752793 0.330884 0.190820 Ta\n0.243137 0.673018 0.814906 Ta\n0.226762 0.659167 0.310076 Ta\n0.776550 0.344249 0.690305 Ta\n0.709086 0.845835 0.123248 In\n0.288972 0.171738 0.888421 Bi\n0.236341 0.118218 0.375364 Bi\n0.754925 0.882370 0.618119 Bi\n0.086673 0.444624 0.779675 O\n0.929736 0.551773 0.208813 O\n0.541832 0.154440 0.632020 O\n0.476359 0.844398 0.361465 O\n0.687624 0.336253 0.947961 O\n0.356299 0.677219 0.053714 O\n0.553842 0.540255 0.705194 O\n0.435965 0.453277 0.294787 O\n0.551191 0.109461 0.165913 O\n0.422739 0.892510 0.819055 O\n0.000992 0.107419 0.685481 O\n0.995938 0.886941 0.316401 O\n0.033095 0.167631 0.128028 O\n0.929753 0.798770 0.889974 O\n0.861431 0.322688 0.442485 O\n0.147965 0.686865 0.557773 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ta",
"In",
"Bi",
"O"
],
"chemical_system": "Bi-In-O-Ta",
"density": 8.750993183384265,
"density_atomic": 0.07346865500374795,
"volume": 326.6699247287929,
"volume_molar": 8.196884453230815,
"formula_full": "Ta4 In1 Bi3 O16",
"formula_reduced": "Ta4InBi3O16",
"formula_anonymous": "AB3C4D16",
"energy": -206.09237128,
"energy_per_atom": -8.587182136666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.10037128,
"band_gap": 2.8208999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.049000Z",
"spacegroup": 1
},
{
"id": "mp-1043161",
"created_at": "2022-09-04T14:39:45.345999Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n1.858219 -4.887611 0.000000\n1.858219 4.887611 0.000000\n0.000000 0.000000 11.355741\nMg Mn O\n2 4 10\ndirect\n0.099618 0.900382 0.750000 Mg\n0.900382 0.099618 0.250000 Mg\n0.787599 0.212401 0.598470 Mn\n0.212401 0.787599 0.401530 Mn\n0.212401 0.787599 0.098470 Mn\n0.787599 0.212401 0.901530 Mn\n0.300087 0.699913 0.250000 O\n0.699913 0.300087 0.750000 O\n0.760457 0.239543 0.079405 O\n0.239543 0.760457 0.920595 O\n0.239543 0.760457 0.579405 O\n0.760457 0.239543 0.420595 O\n0.961374 0.038626 0.623375 O\n0.038626 0.961374 0.376625 O\n0.961374 0.038626 0.876625 O\n0.038626 0.961374 0.123375 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.4483801000914176,
"density_atomic": 0.07756771148313035,
"volume": 206.27139429632038,
"volume_molar": 7.76372107008689,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy": -119.31150171,
"energy_per_atom": -7.456968856875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.76950171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9984036,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.628000Z",
"spacegroup": 63
},
{
"id": "mp-1028022",
"created_at": "2022-09-04T14:39:45.347655Z",
"structure_string": "Y1 Mg14 C1\n1.0\n6.567834 0.357159 0.000000\n-2.974608 5.152171 0.000000\n0.000000 0.000000 10.358151\nY Mg C\n1 14 1\ndirect\n0.102911 0.301455 0.125000 Y\n0.151316 0.325657 0.625000 Mg\n0.133143 0.816571 0.625000 Mg\n0.571933 0.269185 0.125000 Mg\n0.654929 0.330358 0.625000 Mg\n0.571933 0.802747 0.125000 Mg\n0.654929 0.824570 0.625000 Mg\n0.341663 0.174462 0.382257 Mg\n0.341663 0.174462 0.867743 Mg\n0.341663 0.667202 0.382257 Mg\n0.341663 0.667202 0.867743 Mg\n0.826397 0.163199 0.380834 Mg\n0.826397 0.163199 0.869166 Mg\n0.943002 0.721502 0.272099 Mg\n0.943002 0.721502 0.977901 Mg\n0.253456 0.876727 0.125000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"C"
],
"chemical_system": "C-Mg-Y",
"density": 2.0265209838913947,
"density_atomic": 0.04425880933062937,
"volume": 361.50995117094527,
"volume_molar": 13.606648825575995,
"formula_full": "Y1 Mg14 C1",
"formula_reduced": "YMg14C",
"formula_anonymous": "ABC14",
"energy": -35.15207762,
"energy_per_atom": -2.19700485125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.15207762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.719000Z",
"spacegroup": 38
},
{
"id": "mp-20010",
"created_at": "2022-09-04T14:39:45.348563Z",
"structure_string": "Dy2 Cu2 Ge2\n1.0\n2.135319 -3.698481 0.000000\n2.135319 3.698481 0.000000\n0.000000 0.000000 7.197437\nDy Cu Ge\n2 2 2\ndirect\n0.000000 0.000000 0.760668 Dy\n0.000000 0.000000 0.260668 Dy\n0.666667 0.333333 0.547069 Cu\n0.333333 0.666667 0.047069 Cu\n0.333333 0.666667 0.484663 Ge\n0.666667 0.333333 0.984663 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Ge"
],
"chemical_system": "Cu-Dy-Ge",
"density": 8.725693137633503,
"density_atomic": 0.05277852224900489,
"volume": 113.68260694553885,
"volume_molar": 11.410211016496477,
"formula_full": "Dy2 Cu2 Ge2",
"formula_reduced": "DyCuGe",
"formula_anonymous": "ABC",
"energy": -30.78265054,
"energy_per_atom": -5.1304417566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.78265054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.17e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.538000Z",
"spacegroup": 186
},
{
"id": "mp-567653",
"created_at": "2022-09-04T14:39:45.354678Z",
"structure_string": "Ti6 Ni8\n1.0\n3.649714 -5.607272 0.000000\n3.649714 5.607272 0.000000\n-4.965069 0.000000 4.484418\nTi Ni\n6 8\ndirect\n0.505546 0.108638 0.242621 Ti\n0.757379 0.494454 0.891362 Ti\n0.494454 0.891362 0.757379 Ti\n0.891362 0.757379 0.494454 Ti\n0.108638 0.242621 0.505546 Ti\n0.242621 0.505546 0.108638 Ti\n0.415476 0.256327 0.939730 Ni\n0.584524 0.743673 0.060270 Ni\n0.256327 0.939730 0.415476 Ni\n0.939730 0.415476 0.256327 Ni\n0.743673 0.060270 0.584524 Ni\n0.000000 0.000000 0.000000 Ni\n0.060270 0.584524 0.743673 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ti",
"Ni"
],
"chemical_system": "Ni-Ti",
"density": 6.84627796919224,
"density_atomic": 0.07627487346869317,
"volume": 183.54668271912985,
"volume_molar": 7.895313995468997,
"formula_full": "Ti6 Ni8",
"formula_reduced": "Ti3Ni4",
"formula_anonymous": "A3B4",
"energy": -99.3960194,
"energy_per_atom": -7.099715671428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.3960194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010537,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.790000Z",
"spacegroup": 148
},
{
"id": "mp-766488",
"created_at": "2022-09-04T14:39:45.355259Z",
"structure_string": "Li6 Mn6 B8 O24\n1.0\n9.077719 0.000000 0.000000\n0.000000 5.346526 0.000000\n0.000000 4.930161 9.608853\nLi Mn B O\n6 6 8 24\ndirect\n0.235126 0.514552 0.338298 Li\n0.906191 0.445008 0.371173 Li\n0.428608 0.539470 0.124183 Li\n0.764874 0.514552 0.838298 Li\n0.093809 0.445008 0.871173 Li\n0.571392 0.539470 0.624183 Li\n0.577872 0.987814 0.875159 Mn\n0.243363 0.943567 0.882538 Mn\n0.052247 0.013975 0.622700 Mn\n0.422128 0.987814 0.375159 Mn\n0.756637 0.943567 0.382538 Mn\n0.947753 0.013975 0.122700 Mn\n0.573659 0.446491 0.379849 B\n0.903816 0.961390 0.873131 B\n0.066654 0.560488 0.106650 B\n0.413036 0.019343 0.644126 B\n0.096184 0.961390 0.373131 B\n0.426341 0.446491 0.879849 B\n0.586964 0.019343 0.144126 B\n0.933346 0.560488 0.606650 B\n0.571973 0.866434 0.071085 O\n0.931305 0.332695 0.582118 O\n0.193135 0.729470 0.079810 O\n0.535727 0.122769 0.681431 O\n0.272481 0.062992 0.684483 O\n0.942799 0.627324 0.159518 O\n0.435233 0.384982 0.344051 O\n0.698714 0.303129 0.383740 O\n0.778355 0.840681 0.862553 O\n0.036151 0.877293 0.830819 O\n0.085082 0.166499 0.419285 O\n0.421075 0.674311 0.912483 O\n0.068695 0.332695 0.082118 O\n0.428027 0.866434 0.571085 O\n0.806865 0.729470 0.579810 O\n0.464273 0.122769 0.181431 O\n0.727519 0.062992 0.184483 O\n0.057201 0.627324 0.659518 O\n0.564767 0.384982 0.844051 O\n0.221645 0.840681 0.362553 O\n0.963849 0.877293 0.330819 O\n0.301286 0.303129 0.883740 O\n0.578925 0.674311 0.412483 O\n0.914918 0.166499 0.919285 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 2.997168475128654,
"density_atomic": 0.09434800227952567,
"volume": 466.35857608983395,
"volume_molar": 6.382902249650343,
"formula_full": "Li6 Mn6 B8 O24",
"formula_reduced": "Li3Mn3(BO3)4",
"formula_anonymous": "A3B3C4D12",
"energy": -345.22732792,
"energy_per_atom": -7.846075634545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.73132792,
"band_gap": 0.4958,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0024119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.246000Z",
"spacegroup": 7
}
]
}