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_stable&page=12109",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12107",
"results": [
{
"id": "mp-1222829",
"created_at": "2022-09-04T14:42:42.309046Z",
"structure_string": "La4 Se4 S4\n1.0\n4.178341 0.000000 0.000000\n0.000000 8.392393 0.000000\n0.000000 0.037051 8.405504\nLa Se S\n4 4 4\ndirect\n0.282742 0.627573 0.713048 La\n0.782742 0.872427 0.286952 La\n0.717258 0.372427 0.286952 La\n0.217258 0.127573 0.713048 La\n0.315938 0.880985 0.002028 Se\n0.815938 0.619015 0.997972 Se\n0.684062 0.119015 0.997972 Se\n0.184062 0.380985 0.002028 Se\n0.260272 0.625650 0.365877 S\n0.760272 0.874350 0.634123 S\n0.739728 0.374350 0.634123 S\n0.239728 0.125650 0.365877 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Se",
"S"
],
"chemical_system": "La-S-Se",
"density": 5.632158163012999,
"density_atomic": 0.0407125020634361,
"volume": 294.7497547879083,
"volume_molar": 14.79187093590223,
"formula_full": "La4 Se4 S4",
"formula_reduced": "LaSeS",
"formula_anonymous": "ABC",
"energy": -76.15156342,
"energy_per_atom": -6.345963618333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.25156342,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021103,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.043000Z",
"spacegroup": 14
},
{
"id": "mp-28965",
"created_at": "2022-09-04T14:42:42.584483Z",
"structure_string": "Ag1 Bi2 F12\n1.0\n-5.416455 0.000000 0.000000\n2.451757 5.199716 0.000000\n-0.217598 -2.364483 -8.914669\nAg Bi F\n1 2 12\ndirect\n0.500000 0.500000 0.500000 Ag\n0.275034 0.017531 0.772896 Bi\n0.724966 0.982469 0.227104 Bi\n0.768667 0.759228 0.372581 F\n0.231333 0.240772 0.627419 F\n0.319481 0.752376 0.222470 F\n0.316883 0.763085 0.876339 F\n0.683117 0.236915 0.123661 F\n0.864317 0.786818 0.708354 F\n0.135683 0.213182 0.291646 F\n0.314206 0.766984 0.566626 F\n0.685794 0.233016 0.433374 F\n0.200803 0.250511 0.952166 F\n0.799197 0.749489 0.047834 F\n0.680519 0.247624 0.777530 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"F"
],
"chemical_system": "Ag-Bi-F",
"density": 4.985525169080717,
"density_atomic": 0.05974358414748644,
"volume": 251.0729848910661,
"volume_molar": 10.07997904031569,
"formula_full": "Ag1 Bi2 F12",
"formula_reduced": "AgBi2F12",
"formula_anonymous": "AB2C12",
"energy": -63.77190761,
"energy_per_atom": -4.251460507333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.22790761,
"band_gap": 0.3971,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9931108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.323000Z",
"spacegroup": 2
},
{
"id": "mp-866516",
"created_at": "2022-09-04T14:42:42.164295Z",
"structure_string": "Ce6 Al2 Cr2 S14\n1.0\n5.025423 -8.704288 0.000000\n5.025423 8.704288 0.000000\n0.000000 0.000000 6.028746\nCe Al Cr S\n6 2 2 14\ndirect\n0.140944 0.371212 0.243824 Ce\n0.859056 0.628788 0.743824 Ce\n0.628788 0.769732 0.243824 Ce\n0.230268 0.859056 0.243824 Ce\n0.769732 0.140944 0.743824 Ce\n0.371212 0.230268 0.743824 Ce\n0.333333 0.666667 0.665255 Al\n0.666667 0.333333 0.165255 Al\n0.000000 0.000000 0.027329 Cr\n0.000000 0.000000 0.527329 Cr\n0.333333 0.666667 0.035627 S\n0.666667 0.333333 0.535627 S\n0.420784 0.516362 0.516641 S\n0.579216 0.483638 0.016641 S\n0.483638 0.904422 0.516641 S\n0.095578 0.579216 0.516641 S\n0.904422 0.420784 0.016641 S\n0.516362 0.095578 0.016641 S\n0.089380 0.231852 0.783720 S\n0.910620 0.768148 0.283720 S\n0.768148 0.857528 0.783720 S\n0.142472 0.910620 0.783720 S\n0.857528 0.089380 0.283720 S\n0.231852 0.142472 0.283720 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ce",
"Al",
"Cr",
"S"
],
"chemical_system": "Al-Ce-Cr-S",
"density": 4.557463475852909,
"density_atomic": 0.045503875244937604,
"volume": 527.4276063481,
"volume_molar": 13.234347025575532,
"formula_full": "Ce6 Al2 Cr2 S14",
"formula_reduced": "Ce3AlCrS7",
"formula_anonymous": "ABC3D7",
"energy": -164.37328703,
"energy_per_atom": -6.848886959583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.33128703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9675504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.278000Z",
"spacegroup": 173
},
{
"id": "mp-1207386",
"created_at": "2022-09-04T14:42:42.164802Z",
"structure_string": "Zr4 N4 F4\n1.0\n5.372457 0.000000 0.000000\n0.000000 5.440385 0.000000\n0.000000 0.919332 5.375960\nZr N F\n4 4 4\ndirect\n0.478629 0.679328 0.715859 Zr\n0.521371 0.320672 0.284141 Zr\n0.978629 0.320672 0.784141 Zr\n0.021371 0.679328 0.215859 Zr\n0.247190 0.462077 0.509153 N\n0.752810 0.537923 0.490847 N\n0.747190 0.537923 0.990847 N\n0.252810 0.462077 0.009153 N\n0.171469 0.950679 0.841458 F\n0.828531 0.049321 0.158542 F\n0.671469 0.049321 0.658542 F\n0.328531 0.950679 0.341458 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"N",
"F"
],
"chemical_system": "F-N-Zr",
"density": 5.251384615409811,
"density_atomic": 0.07636997257940069,
"volume": 157.12981941330128,
"volume_molar": 7.885482417502341,
"formula_full": "Zr4 N4 F4",
"formula_reduced": "ZrNF",
"formula_anonymous": "ABC",
"energy": -108.14216249,
"energy_per_atom": -9.011846874166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.85016249,
"band_gap": 2.0644000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.100000Z",
"spacegroup": 14
},
{
"id": "mp-755705",
"created_at": "2022-09-04T14:42:42.165944Z",
"structure_string": "Sr2 La2 I10\n1.0\n4.686221 0.000000 0.000000\n0.000000 9.344847 0.000000\n0.000000 0.625721 15.065873\nSr La I\n2 2 10\ndirect\n0.750000 0.081706 0.858519 Sr\n0.250000 0.918294 0.141481 Sr\n0.250000 0.418637 0.653438 La\n0.750000 0.581363 0.346562 La\n0.250000 0.074890 0.679717 I\n0.750000 0.148737 0.075105 I\n0.750000 0.320084 0.514493 I\n0.250000 0.351717 0.865365 I\n0.250000 0.372206 0.289128 I\n0.750000 0.627794 0.710872 I\n0.750000 0.648283 0.134635 I\n0.250000 0.679916 0.485507 I\n0.250000 0.851263 0.924895 I\n0.750000 0.925110 0.320283 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"La",
"I"
],
"chemical_system": "I-La-Sr",
"density": 4.334281372688509,
"density_atomic": 0.021219677172119755,
"volume": 659.7649854161971,
"volume_molar": 28.379982933540614,
"formula_full": "Sr2 La2 I10",
"formula_reduced": "SrLaI5",
"formula_anonymous": "ABC5",
"energy": -54.52430909,
"energy_per_atom": -3.8945935064285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.73430909,
"band_gap": 2.0815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.877000Z",
"spacegroup": 11
},
{
"id": "mp-23082",
"created_at": "2022-09-04T14:42:42.167895Z",
"structure_string": "K4 Cr4 Cl4 O12\n1.0\n7.421690 0.000000 0.000000\n0.000000 7.932109 0.000000\n0.000000 0.293742 8.384385\nK Cr Cl O\n4 4 4 12\ndirect\n0.857627 0.366304 0.676353 K\n0.642373 0.866304 0.676353 K\n0.142373 0.633696 0.323647 K\n0.357627 0.133696 0.323647 K\n0.878332 0.126305 0.277911 Cr\n0.121668 0.873695 0.722089 Cr\n0.621668 0.626305 0.277911 Cr\n0.378332 0.373695 0.722089 Cr\n0.720712 0.141164 0.058424 Cl\n0.279288 0.858836 0.941576 Cl\n0.220712 0.358836 0.941576 Cl\n0.779288 0.641164 0.058424 Cl\n0.489414 0.463149 0.275350 O\n0.989414 0.036851 0.724650 O\n0.510586 0.536851 0.724650 O\n0.010586 0.963149 0.275350 O\n0.499442 0.795845 0.290450 O\n0.999442 0.704155 0.709550 O\n0.500558 0.204155 0.709550 O\n0.738185 0.110907 0.427610 O\n0.761815 0.610907 0.427610 O\n0.261815 0.889093 0.572390 O\n0.238185 0.389093 0.572390 O\n0.000558 0.295845 0.290450 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Cr",
"Cl",
"O"
],
"chemical_system": "Cl-Cr-K-O",
"density": 2.3488500817960656,
"density_atomic": 0.04862376074195512,
"volume": 493.5858443234636,
"volume_molar": 12.38518096524727,
"formula_full": "K4 Cr4 Cl4 O12",
"formula_reduced": "KCrClO3",
"formula_anonymous": "ABCD3",
"energy": -152.94791051,
"energy_per_atom": -6.372829604583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.25191051,
"band_gap": 2.5006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.894000Z",
"spacegroup": 14
},
{
"id": "mp-753805",
"created_at": "2022-09-04T14:42:42.186428Z",
"structure_string": "Li4 V4 P4 C4 O28\n1.0\n8.368864 0.101259 0.001791\n0.471114 5.192854 6.398180\n-0.468350 -5.193741 6.398727\nLi V P C O\n4 4 4 4 28\ndirect\n0.099871 0.530141 0.719879 Li\n0.099890 0.030089 0.219843 Li\n0.900118 0.469926 0.280058 Li\n0.900151 0.969834 0.780136 Li\n0.322875 0.269419 0.480672 V\n0.677087 0.730685 0.519396 V\n0.323090 0.769401 0.980735 V\n0.677031 0.230583 0.019324 V\n0.423079 0.498751 0.751380 P\n0.423103 0.998773 0.251416 P\n0.576916 0.501202 0.248678 P\n0.576907 0.001249 0.748606 P\n0.051112 0.700747 0.049307 C\n0.051045 0.200670 0.549306 C\n0.948904 0.299255 0.950648 C\n0.948924 0.799285 0.450654 C\n0.077045 0.824994 0.925289 O\n0.076903 0.324943 0.425322 O\n0.923046 0.175038 0.074691 O\n0.923041 0.675046 0.574682 O\n0.081373 0.342306 0.907635 O\n0.081383 0.842313 0.407661 O\n0.918614 0.657806 0.092214 O\n0.918584 0.157649 0.592314 O\n0.190387 0.626864 0.123078 O\n0.190351 0.126819 0.623064 O\n0.809607 0.373141 0.876923 O\n0.809614 0.873147 0.376896 O\n0.438201 0.413552 0.336451 O\n0.438228 0.913617 0.836443 O\n0.561799 0.586408 0.663556 O\n0.561783 0.086371 0.163560 O\n0.496258 0.357891 0.892651 O\n0.496206 0.857953 0.392765 O\n0.503744 0.642041 0.107387 O\n0.503714 0.142075 0.607337 O\n0.309607 0.433670 0.627449 O\n0.309701 0.933699 0.127436 O\n0.309296 0.622812 0.816070 O\n0.309257 0.122813 0.316067 O\n0.690707 0.377178 0.183954 O\n0.690727 0.877186 0.683938 O\n0.690351 0.566349 0.372583 O\n0.690369 0.066307 0.872545 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Li-O-P-V",
"density": 2.5448935908015202,
"density_atomic": 0.07919787384492039,
"volume": 555.570470062841,
"volume_molar": 7.6039172109495325,
"formula_full": "Li4 V4 P4 C4 O28",
"formula_reduced": "LiVPCO7",
"formula_anonymous": "ABCDE7",
"energy": -345.73744499000003,
"energy_per_atom": -7.857669204318182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.70144499,
"band_gap": 1.0886,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.03e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.413000Z",
"spacegroup": 11
},
{
"id": "mp-1191329",
"created_at": "2022-09-04T14:42:42.188827Z",
"structure_string": "Tm4 C4 O16\n1.0\n4.807543 0.000000 0.000000\n0.000000 7.005696 0.000000\n0.000000 0.000000 8.744893\nTm C O\n4 4 16\ndirect\n0.525819 0.627088 0.661490 Tm\n0.974181 0.372912 0.161490 Tm\n0.474181 0.127088 0.838510 Tm\n0.025819 0.872912 0.338510 Tm\n0.507570 0.544890 0.329941 C\n0.992430 0.455110 0.829941 C\n0.492430 0.044890 0.170059 C\n0.007570 0.955110 0.670059 C\n0.469793 0.814311 0.857101 O\n0.030207 0.185689 0.357101 O\n0.530207 0.314311 0.642899 O\n0.969793 0.685689 0.142899 O\n0.045716 0.555132 0.711762 O\n0.454284 0.444868 0.211762 O\n0.954284 0.055132 0.788238 O\n0.545716 0.944868 0.288238 O\n0.269395 0.928576 0.631898 O\n0.230605 0.071424 0.131898 O\n0.730605 0.428576 0.868102 O\n0.769395 0.571424 0.368102 O\n0.820452 0.882453 0.581165 O\n0.679548 0.117547 0.081165 O\n0.179548 0.382453 0.918835 O\n0.320452 0.617547 0.418835 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"C",
"O"
],
"chemical_system": "C-O-Tm",
"density": 5.52388066080807,
"density_atomic": 0.08148586431728136,
"volume": 294.5296119895255,
"volume_molar": 7.3904115891212765,
"formula_full": "Tm4 C4 O16",
"formula_reduced": "TmCO4",
"formula_anonymous": "ABC4",
"energy": -193.82531503,
"energy_per_atom": -8.076054792916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.83331503,
"band_gap": 0.7789,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0009721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.492000Z",
"spacegroup": 19
},
{
"id": "mp-1218418",
"created_at": "2022-09-04T14:42:42.189576Z",
"structure_string": "Sr3 Se2 Cl2 O6\n1.0\n2.819241 6.692556 0.000000\n-2.819241 6.692556 0.000000\n0.000000 0.738039 6.746359\nSr Se Cl O\n3 2 2 6\ndirect\n0.286516 0.288662 0.212100 Sr\n0.711338 0.713484 0.787900 Sr\n0.982717 0.017283 0.000000 Sr\n0.401711 0.405261 0.735114 Se\n0.594739 0.598289 0.264886 Se\n0.160354 0.160949 0.624686 Cl\n0.839051 0.839646 0.375314 Cl\n0.878000 0.408126 0.115339 O\n0.404655 0.879764 0.114778 O\n0.120236 0.595345 0.885222 O\n0.591874 0.122000 0.884661 O\n0.475558 0.469748 0.228340 O\n0.530252 0.524442 0.771660 O\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Sr",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-O-Se-Sr",
"density": 3.8332586283005528,
"density_atomic": 0.051064571524031196,
"volume": 254.5796353912839,
"volume_molar": 11.793187684275303,
"formula_full": "Sr3 Se2 Cl2 O6",
"formula_reduced": "Sr3Se2(ClO3)2",
"formula_anonymous": "A2B2C3D6",
"energy": -77.57446336999999,
"energy_per_atom": -5.967266413076922,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.22446337,
"band_gap": 4.2893,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.49e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.135000Z",
"spacegroup": 5
},
{
"id": "mp-19767",
"created_at": "2022-09-04T14:42:42.241118Z",
"structure_string": "Dy4 Co4 Si4\n1.0\n4.196498 0.000000 0.000000\n0.000000 6.837757 0.000000\n0.000000 0.000000 6.942746\nDy Co Si\n4 4 4\ndirect\n0.750000 0.186084 0.520088 Dy\n0.250000 0.813916 0.479912 Dy\n0.750000 0.313916 0.020088 Dy\n0.250000 0.686084 0.979912 Dy\n0.250000 0.066133 0.143037 Co\n0.750000 0.933867 0.856963 Co\n0.250000 0.433867 0.643037 Co\n0.750000 0.566133 0.356963 Co\n0.750000 0.892488 0.193690 Si\n0.250000 0.107512 0.806310 Si\n0.750000 0.607512 0.693690 Si\n0.250000 0.392488 0.306310 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Dy",
"Co",
"Si"
],
"chemical_system": "Co-Dy-Si",
"density": 8.319174212545414,
"density_atomic": 0.0602350514844876,
"volume": 199.21955247419973,
"volume_molar": 9.997734892865308,
"formula_full": "Dy4 Co4 Si4",
"formula_reduced": "DyCoSi",
"formula_anonymous": "ABC",
"energy": -76.96479778,
"energy_per_atom": -6.413733148333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.24879778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.708000Z",
"spacegroup": 62
},
{
"id": "mp-1188247",
"created_at": "2022-09-04T14:42:42.188623Z",
"structure_string": "Yb4 I8 O4\n1.0\n0.000000 -5.125513 0.000000\n-8.760744 0.000000 0.000000\n0.000000 0.000000 -11.468040\nYb I O\n4 8 4\ndirect\n0.750000 0.279668 0.430711 Yb\n0.750000 0.779668 0.069289 Yb\n0.250000 0.720332 0.569289 Yb\n0.250000 0.220332 0.930711 Yb\n0.750000 0.528347 0.641644 I\n0.750000 0.028347 0.858356 I\n0.250000 0.471653 0.358356 I\n0.250000 0.971653 0.141644 I\n0.250000 0.164346 0.610789 I\n0.250000 0.664346 0.889211 I\n0.750000 0.835654 0.389211 I\n0.750000 0.335654 0.110789 I\n0.750000 0.055135 0.379205 O\n0.750000 0.555135 0.120795 O\n0.250000 0.944865 0.620795 O\n0.250000 0.444865 0.879205 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"I",
"O"
],
"chemical_system": "I-O-Yb",
"density": 5.712110254346322,
"density_atomic": 0.03107080134946475,
"volume": 514.952923809145,
"volume_molar": 19.381993699701415,
"formula_full": "Yb4 I8 O4",
"formula_reduced": "YbI2O",
"formula_anonymous": "ABC2",
"energy": -60.74991011,
"energy_per_atom": -3.796869381875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.00191011,
"band_gap": 1.9677,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:49.753000Z",
"spacegroup": 62
},
{
"id": "mp-1175072",
"created_at": "2022-09-04T14:42:42.193428Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n8.827917 0.000000 0.000000\n0.000000 5.034130 0.000000\n0.000000 1.638964 4.845633\nLi Mn Co O\n7 2 3 12\ndirect\n0.992349 0.500000 0.500000 Li\n0.835506 0.000000 0.500000 Li\n0.674571 0.500000 0.500000 Li\n0.503896 0.000000 0.500000 Li\n0.162258 0.000000 0.500000 Li\n0.332463 0.500000 0.500000 Li\n0.832862 0.500000 0.000000 Li\n0.996774 0.000000 0.000000 Mn\n0.503404 0.500000 0.000000 Mn\n0.675178 0.000000 0.000000 Co\n0.332383 0.000000 0.000000 Co\n0.153171 0.500000 0.000000 Co\n0.009264 0.757442 0.773090 O\n0.842449 0.223477 0.766235 O\n0.653299 0.746749 0.776897 O\n0.498846 0.260300 0.771754 O\n0.159209 0.235238 0.770899 O\n0.339525 0.742396 0.781009 O\n0.009264 0.242558 0.226910 O\n0.842449 0.776523 0.233765 O\n0.653299 0.253251 0.223103 O\n0.498846 0.739700 0.228246 O\n0.159209 0.764762 0.229101 O\n0.339525 0.257604 0.218991 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.065715725587679,
"density_atomic": 0.11144948235090382,
"volume": 215.34420343411642,
"volume_molar": 5.403471270543019,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -158.15773923,
"energy_per_atom": -6.5899058012500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.66373923,
"band_gap": 1.6536,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.183000Z",
"spacegroup": 3
}
]
}