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=10227",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=10225",
"results": [
{
"id": "mp-767622",
"created_at": "2022-09-04T14:40:16.846946Z",
"structure_string": "Li8 V4 O4 F12\n1.0\n5.018758 0.000000 0.000000\n0.000000 5.178624 0.000000\n0.000000 0.000000 11.596133\nLi V O F\n8 4 4 12\ndirect\n0.000000 0.000000 0.207974 Li\n0.000000 0.500000 0.352091 Li\n0.000000 0.000000 0.627524 Li\n0.000000 0.500000 0.778400 Li\n0.500000 0.500000 0.278400 Li\n0.500000 0.000000 0.707974 Li\n0.500000 0.500000 0.852091 Li\n0.500000 0.000000 0.127524 Li\n0.000000 0.500000 0.071524 V\n0.000000 0.000000 0.942769 V\n0.500000 0.500000 0.571524 V\n0.500000 0.000000 0.442769 V\n0.799735 0.178739 0.060463 O\n0.700265 0.178739 0.560463 O\n0.299735 0.821261 0.560463 O\n0.200265 0.821261 0.060463 O\n0.775396 0.663187 0.939743 F\n0.777698 0.671757 0.197419 F\n0.783301 0.179851 0.812256 F\n0.716699 0.179851 0.312256 F\n0.722302 0.671757 0.697419 F\n0.724604 0.663187 0.439743 F\n0.275396 0.336813 0.439743 F\n0.283301 0.820149 0.312256 F\n0.277698 0.328243 0.697419 F\n0.222302 0.328243 0.197419 F\n0.216699 0.820149 0.812256 F\n0.224604 0.336813 0.939743 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.0373270293129067,
"density_atomic": 0.09290395634404507,
"volume": 301.3865189584549,
"volume_molar": 6.482114429765086,
"formula_full": "Li8 V4 O4 F12",
"formula_reduced": "Li2VOF3",
"formula_anonymous": "ABC2D3",
"energy": -176.76957739000002,
"energy_per_atom": -6.313199192500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.67757739,
"band_gap": 1.354,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0004012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.391000Z",
"spacegroup": 30
},
{
"id": "mp-1071216",
"created_at": "2022-09-04T14:40:16.854879Z",
"structure_string": "Pr2 Co2 Si1 C1\n1.0\n-1.975370 3.017750 4.535249\n1.975370 -3.017750 4.535249\n1.975370 3.017750 -4.535249\nPr Co Si C\n2 2 1 1\ndirect\n0.690248 0.190248 0.500000 Pr\n0.309752 0.809752 0.500000 Pr\n0.794455 0.500000 0.294455 Co\n0.205545 0.500000 0.705545 Co\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Pr",
"Co",
"Si",
"C"
],
"chemical_system": "C-Co-Pr-Si",
"density": 6.752889584886079,
"density_atomic": 0.05548280514644635,
"volume": 108.14161223757623,
"volume_molar": 10.854066848467044,
"formula_full": "Pr2 Co2 Si1 C1",
"formula_reduced": "Pr2Co2SiC",
"formula_anonymous": "ABC2D2",
"energy": -40.97440907,
"energy_per_atom": -6.829068178333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.04540907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000757,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.349000Z",
"spacegroup": 71
},
{
"id": "mp-155",
"created_at": "2022-09-04T14:40:16.860170Z",
"structure_string": "Gd2\n1.0\n1.806967 -3.129758 0.000000\n1.806967 3.129758 0.000000\n0.000000 0.000000 5.770074\nGd\n2\ndirect\n0.333333 0.666667 0.250000 Gd\n0.666667 0.333333 0.750000 Gd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Gd"
],
"chemical_system": "Gd",
"density": 8.001978666054116,
"density_atomic": 0.03064485971519747,
"volume": 65.26380014747319,
"volume_molar": 19.651389551029613,
"formula_full": "Gd2",
"formula_reduced": "Gd",
"formula_anonymous": "A",
"energy": -28.15224448,
"energy_per_atom": -14.07612224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.15224448,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.303261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.854000Z",
"spacegroup": 194
},
{
"id": "mp-1217361",
"created_at": "2022-09-04T14:40:16.862260Z",
"structure_string": "Ti4 Fe2 B4 Ru4 Rh6\n1.0\n3.001726 0.000000 0.000000\n0.000000 9.113777 0.000000\n0.000000 0.000000 9.201650\nTi Fe B Ru Rh\n4 2 4 4 6\ndirect\n0.000000 0.322962 0.820522 Ti\n0.000000 0.677038 0.179478 Ti\n0.000000 0.822962 0.679478 Ti\n0.000000 0.177038 0.320522 Ti\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.876421 0.372378 B\n0.000000 0.123579 0.627622 B\n0.000000 0.376421 0.127622 B\n0.000000 0.623579 0.872378 B\n0.500000 0.426797 0.288008 Ru\n0.500000 0.573203 0.711992 Ru\n0.500000 0.926797 0.211992 Ru\n0.500000 0.073203 0.788008 Ru\n0.500000 0.715685 0.427033 Rh\n0.500000 0.284315 0.572967 Rh\n0.500000 0.784315 0.927033 Rh\n0.500000 0.215685 0.072967 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ti",
"Fe",
"B",
"Ru",
"Rh"
],
"chemical_system": "B-Fe-Rh-Ru-Ti",
"density": 9.024778405344488,
"density_atomic": 0.07945017181095818,
"volume": 251.73010383901396,
"volume_molar": 7.579770594239792,
"formula_full": "Ti4 Fe2 B4 Ru4 Rh6",
"formula_reduced": "Ti2FeB2Ru2Rh3",
"formula_anonymous": "AB2C2D2E3",
"energy": -167.30042701,
"energy_per_atom": -8.3650213505,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.30042701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.7482562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.449000Z",
"spacegroup": 55
},
{
"id": "mp-28301",
"created_at": "2022-09-04T14:40:16.863664Z",
"structure_string": "Os8 Br32\n1.0\n6.433247 0.000000 0.000000\n0.000000 13.144012 0.000000\n0.000000 0.000000 15.464289\nOs Br\n8 32\ndirect\n0.596619 0.870814 0.815506 Os\n0.903381 0.370814 0.815506 Os\n0.903381 0.129186 0.315506 Os\n0.403381 0.370814 0.684494 Os\n0.403381 0.129186 0.184494 Os\n0.596619 0.629186 0.315506 Os\n0.096619 0.629186 0.184494 Os\n0.096619 0.870814 0.684494 Os\n0.231228 0.475617 0.806293 Br\n0.758819 0.013272 0.422101 Br\n0.241181 0.986728 0.577899 Br\n0.951031 0.755445 0.577926 Br\n0.925423 0.733166 0.306332 Br\n0.925423 0.766834 0.806332 Br\n0.258819 0.486728 0.577899 Br\n0.548969 0.255445 0.577926 Br\n0.048969 0.244555 0.422074 Br\n0.758819 0.486728 0.922101 Br\n0.241181 0.513272 0.077899 Br\n0.731228 0.024383 0.193707 Br\n0.425423 0.733166 0.193668 Br\n0.768772 0.975617 0.693707 Br\n0.451031 0.744555 0.422074 Br\n0.951031 0.744555 0.077926 Br\n0.574577 0.233166 0.306332 Br\n0.268772 0.975617 0.806293 Br\n0.768772 0.524383 0.193707 Br\n0.574577 0.266834 0.806332 Br\n0.231228 0.024383 0.306293 Br\n0.268772 0.524383 0.306293 Br\n0.548969 0.244555 0.077926 Br\n0.741181 0.986728 0.922101 Br\n0.048969 0.255445 0.922074 Br\n0.731228 0.475617 0.693707 Br\n0.741181 0.513272 0.422101 Br\n0.258819 0.013272 0.077899 Br\n0.425423 0.766834 0.693668 Br\n0.074577 0.233166 0.193668 Br\n0.451031 0.755445 0.922074 Br\n0.074577 0.266834 0.693668 Br\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Os",
"Br"
],
"chemical_system": "Br-Os",
"density": 5.179525439724614,
"density_atomic": 0.030589463562332303,
"volume": 1307.639799517628,
"volume_molar": 19.686977340183336,
"formula_full": "Os8 Br32",
"formula_reduced": "OsBr4",
"formula_anonymous": "AB4",
"energy": -163.65066022000002,
"energy_per_atom": -4.0912665055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.56266022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0116725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.346000Z",
"spacegroup": 61
},
{
"id": "mp-14292",
"created_at": "2022-09-04T14:40:16.873003Z",
"structure_string": "Ba2 Nd1 Sb1 O6\n1.0\n0.000000 4.339711 4.339711\n4.339711 0.000000 4.339711\n4.339711 4.339711 0.000000\nBa Nd Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sb\n0.767627 0.767627 0.232373 O\n0.767627 0.232373 0.767627 O\n0.232373 0.767627 0.232373 O\n0.767627 0.232373 0.232373 O\n0.232373 0.232373 0.767627 O\n0.232373 0.767627 0.767627 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Sb",
"O"
],
"chemical_system": "Ba-Nd-O-Sb",
"density": 6.467538989921852,
"density_atomic": 0.06117691566317408,
"volume": 163.4603492444386,
"volume_molar": 9.843812318287688,
"formula_full": "Ba2 Nd1 Sb1 O6",
"formula_reduced": "Ba2NdSbO6",
"formula_anonymous": "ABC2D6",
"energy": -72.51227893,
"energy_per_atom": -7.251227892999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.39027893,
"band_gap": 3.6649,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.910000Z",
"spacegroup": 225
},
{
"id": "mp-977212",
"created_at": "2022-09-04T14:40:16.892819Z",
"structure_string": "Np1 Mn3\n1.0\n3.722615 0.000000 0.000000\n0.000000 3.722615 0.000000\n0.000000 0.000000 3.722615\nNp Mn\n1 3\ndirect\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"Mn"
],
"chemical_system": "Mn-Np",
"density": 12.933913103883366,
"density_atomic": 0.07753818348487038,
"volume": 51.58748658047295,
"volume_molar": 7.766677641055479,
"formula_full": "Np1 Mn3",
"formula_reduced": "NpMn3",
"formula_anonymous": "AB3",
"energy": -39.52519454,
"energy_per_atom": -9.881298635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.52519454,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0965305,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.499000Z",
"spacegroup": 221
},
{
"id": "mp-720394",
"created_at": "2022-09-04T14:40:16.896157Z",
"structure_string": "Ca10 Ta2 Ti6 Al2 Si10 O50\n1.0\n5.490079 0.000000 0.000000\n1.740205 6.920882 0.000000\n1.881386 2.021485 25.035479\nCa Ta Ti Al Si O\n10 2 6 2 10 50\ndirect\n0.845499 0.888615 0.666358 Ca\n0.246969 0.688750 0.467799 Ca\n0.641589 0.512311 0.266962 Ca\n0.039732 0.313723 0.065265 Ca\n0.753031 0.311250 0.532201 Ca\n0.438610 0.117789 0.865682 Ca\n0.154501 0.111385 0.333642 Ca\n0.561390 0.882211 0.134318 Ca\n0.960268 0.686277 0.934735 Ca\n0.358411 0.487689 0.733038 Ca\n0.297726 0.101441 0.599605 Ta\n0.702274 0.898559 0.400395 Ta\n0.102515 0.698260 0.200774 Ti\n0.100349 0.200279 0.199019 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.897485 0.301740 0.799226 Ti\n0.899651 0.799721 0.800981 Ti\n0.300595 0.599368 0.600628 Al\n0.699405 0.400632 0.399372 Al\n0.847694 0.421468 0.663499 Si\n0.247575 0.223636 0.462148 Si\n0.652875 0.015601 0.262870 Si\n0.752425 0.776364 0.537852 Si\n0.053359 0.812466 0.064201 Si\n0.152306 0.578532 0.336501 Si\n0.452897 0.612654 0.864140 Si\n0.547103 0.387346 0.135860 Si\n0.946641 0.187534 0.935799 Si\n0.347125 0.984399 0.737130 Si\n0.026309 0.636028 0.551631 O\n0.941540 0.240206 0.623314 O\n0.203788 0.858191 0.612850 O\n0.426793 0.438324 0.350642 O\n0.196326 0.125137 0.523394 O\n0.064136 0.546955 0.661693 O\n0.341526 0.040291 0.423136 O\n0.535365 0.652710 0.538605 O\n0.403504 0.079496 0.676089 O\n0.602208 0.658010 0.412979 O\n0.821446 0.241078 0.149719 O\n0.397792 0.341990 0.587021 O\n0.596496 0.920504 0.323911 O\n0.464635 0.347290 0.461395 O\n0.741718 0.838172 0.223033 O\n0.658474 0.959709 0.576864 O\n0.935864 0.453045 0.338307 O\n0.803674 0.874863 0.476606 O\n0.002582 0.463100 0.213560 O\n0.221442 0.043037 0.950077 O\n0.573207 0.561676 0.649358 O\n0.796212 0.141809 0.387150 O\n0.000866 0.716822 0.124822 O\n0.863198 0.146298 0.262555 O\n0.141740 0.637231 0.023188 O\n0.058460 0.759794 0.376686 O\n0.337413 0.254993 0.136976 O\n0.200335 0.677939 0.275680 O\n0.404802 0.263238 0.014085 O\n0.620745 0.838586 0.750780 O\n0.973691 0.363972 0.448369 O\n0.197630 0.936121 0.186541 O\n0.398909 0.515604 0.924617 O\n0.262390 0.945627 0.062606 O\n0.540529 0.438181 0.823017 O\n0.459471 0.561819 0.176983 O\n0.737610 0.054373 0.937394 O\n0.601091 0.484396 0.075383 O\n0.802370 0.063879 0.813459 O\n0.379255 0.161414 0.249220 O\n0.595198 0.736762 0.985915 O\n0.799665 0.322061 0.724320 O\n0.662587 0.745007 0.863024 O\n0.858260 0.362769 0.976812 O\n0.136802 0.853702 0.737445 O\n0.999134 0.283178 0.875178 O\n0.778558 0.956963 0.049923 O\n0.997418 0.536900 0.786440 O\n0.258282 0.161828 0.776967 O\n0.178554 0.758922 0.850281 O\n",
"nsites": 80,
"nelements": 6,
"elements": [
"Ca",
"Ta",
"Ti",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si-Ta-Ti",
"density": 3.813626628129473,
"density_atomic": 0.08409962192863822,
"volume": 951.2527900289859,
"volume_molar": 7.1607227498715975,
"formula_full": "Ca10 Ta2 Ti6 Al2 Si10 O50",
"formula_reduced": "Ca5TaTi3Al(SiO5)5",
"formula_anonymous": "ABC3D5E5F25",
"energy": -677.51685486,
"energy_per_atom": -8.46896068575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -643.16685486,
"band_gap": 2.8624,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2850748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.316000Z",
"spacegroup": 2
},
{
"id": "mp-1103957",
"created_at": "2022-09-04T14:40:16.898997Z",
"structure_string": "Fe2 Si2 Sb1 O9\n1.0\n-2.596657 -4.524768 0.556697\n-2.596657 4.524768 0.556697\n0.024311 0.000000 -8.055764\nFe Si Sb O\n2 2 1 9\ndirect\n0.653191 0.327985 0.991519 Fe\n0.327985 0.653191 0.991519 Fe\n0.872050 0.531592 0.640117 Si\n0.531592 0.872050 0.640117 Si\n0.076436 0.076436 0.242003 Sb\n0.030027 0.375760 0.130802 O\n0.375760 0.030027 0.130802 O\n0.700244 0.700244 0.135716 O\n0.950783 0.579830 0.847513 O\n0.579830 0.950783 0.847513 O\n0.339891 0.339891 0.861104 O\n0.175424 0.677166 0.559294 O\n0.677166 0.175424 0.559294 O\n0.680622 0.680622 0.572288 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Fe",
"Si",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb-Si",
"density": 3.8061634955690673,
"density_atomic": 0.07400507100606232,
"volume": 189.17622548937427,
"volume_molar": 8.137470416732226,
"formula_full": "Fe2 Si2 Sb1 O9",
"formula_reduced": "Fe2Si2SbO9",
"formula_anonymous": "AB2C2D9",
"energy": -108.15679816,
"energy_per_atom": -7.725485582857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.46179816,
"band_gap": 0.0116,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0008153,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.829000Z",
"spacegroup": 8
},
{
"id": "mp-1097402",
"created_at": "2022-09-04T14:40:16.902477Z",
"structure_string": "Zr1 Sc1 Tc2\n1.0\n-4.799646 5.760405 7.972611\n4.799646 -5.760405 7.972611\n4.799646 5.760405 -7.972611\nZr Sc Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.000000 0.253958 0.253958 Tc\n0.000000 0.746042 0.746042 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Tc"
],
"chemical_system": "Sc-Tc-Zr",
"density": 0.6256042230382435,
"density_atomic": 0.004536670107238388,
"volume": 881.7039602720693,
"volume_molar": 132.74363393519621,
"formula_full": "Zr1 Sc1 Tc2",
"formula_reduced": "ZrScTc2",
"formula_anonymous": "ABC2",
"energy": -22.25018524,
"energy_per_atom": -5.56254631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.25018524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.948142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.027000Z",
"spacegroup": 71
},
{
"id": "mp-1221787",
"created_at": "2022-09-04T14:40:16.905530Z",
"structure_string": "Mn8 Nb3 Si1\n1.0\n2.381857 -4.125497 0.000000\n2.381857 4.125497 0.000000\n0.000000 0.000000 7.818691\nMn Nb Si\n8 3 1\ndirect\n0.333333 0.666667 0.502536 Mn\n0.333333 0.666667 0.009595 Mn\n0.504330 0.008660 0.746736 Mn\n0.504330 0.495670 0.746736 Mn\n0.991340 0.495670 0.746736 Mn\n0.159747 0.319495 0.252579 Mn\n0.159747 0.840253 0.252579 Mn\n0.680505 0.840253 0.252579 Mn\n0.666667 0.333333 0.443309 Nb\n0.666667 0.333333 0.065884 Nb\n0.000000 0.000000 0.918794 Nb\n0.000000 0.000000 0.561850 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Si"
],
"chemical_system": "Mn-Nb-Si",
"density": 8.065137411223255,
"density_atomic": 0.0780953617162537,
"volume": 153.6582933516586,
"volume_molar": 7.711265595875503,
"formula_full": "Mn8 Nb3 Si1",
"formula_reduced": "Mn8Nb3Si",
"formula_anonymous": "AB3C8",
"energy": -110.8398867,
"energy_per_atom": -9.236657225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.91088670000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3481509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.594000Z",
"spacegroup": 156
},
{
"id": "mp-1639283",
"created_at": "2022-09-04T14:40:16.857182Z",
"structure_string": "Li14 Mn10 O24\n1.0\n-5.032833 -0.031639 4.078782\n4.786476 -0.150321 8.033307\n1.543689 7.364111 2.087868\nLi Mn O\n14 10 24\ndirect\n0.749592 0.265770 0.503656 Li\n0.250523 0.734306 0.496493 Li\n0.000149 0.500033 0.499851 Li\n0.499950 0.000005 0.500018 Li\n0.253143 0.244834 0.000265 Li\n0.746846 0.755017 0.999748 Li\n0.162176 0.667639 0.159279 Li\n0.657166 0.165539 0.156999 Li\n0.837542 0.332232 0.840548 Li\n0.342713 0.834363 0.843116 Li\n0.917492 0.426340 0.160614 Li\n0.420848 0.937429 0.169803 Li\n0.082501 0.572817 0.839314 Li\n0.578975 0.062517 0.829800 Li\n0.499970 0.500125 0.999842 Mn\n0.999944 0.999985 0.000072 Mn\n0.417169 0.415747 0.670405 Mn\n0.913525 0.916787 0.672854 Mn\n0.582985 0.584153 0.329856 Mn\n0.086184 0.083511 0.327207 Mn\n0.165744 0.172296 0.668220 Mn\n0.667306 0.672068 0.673877 Mn\n0.834249 0.827809 0.331791 Mn\n0.333209 0.328084 0.325908 Mn\n0.223308 0.458053 0.088647 O\n0.727381 0.955139 0.094119 O\n0.776667 0.542083 0.911327 O\n0.272582 0.044880 0.905826 O\n0.309881 0.538827 0.425939 O\n0.815719 0.013371 0.414006 O\n0.690384 0.460927 0.574350 O\n0.183965 0.986770 0.586004 O\n0.892007 0.130206 0.760877 O\n0.387268 0.627412 0.762409 O\n0.107885 0.869783 0.239273 O\n0.613046 0.372783 0.237283 O\n0.967943 0.176675 0.084830 O\n0.468543 0.677239 0.085244 O\n0.031875 0.823476 0.915251 O\n0.531405 0.322762 0.914921 O\n0.052552 0.291157 0.423253 O\n0.561109 0.791841 0.424740 O\n0.947762 0.708972 0.576832 O\n0.438981 0.208174 0.575200 O\n0.142241 0.355178 0.737430 O\n0.640533 0.879504 0.745839 O\n0.857718 0.644946 0.262755 O\n0.359342 0.120441 0.254109 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.854583490087644,
"density_atomic": 0.10811967270093797,
"volume": 443.95250929744617,
"volume_molar": 5.569884378634228,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.75082489,
"energy_per_atom": -7.078142185208333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.58282489,
"band_gap": 0.8968000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0033784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.140000Z",
"spacegroup": 2
}
]
}