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=spacegroup&page=64",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=62",
"results": [
{
"id": "mp-774692",
"created_at": "2022-09-04T14:39:34.991197Z",
"structure_string": "Na15 Mn6 P6 C6 O42\n1.0\n6.732050 0.000000 0.000000\n-0.027787 9.013724 0.000000\n-0.047118 -0.210132 15.718382\nNa Mn P C O\n15 6 6 6 42\ndirect\n0.240911 0.915085 0.583161 Na\n0.240382 0.913496 0.260281 Na\n0.007419 0.743690 0.751785 Na\n0.493483 0.743376 0.750424 Na\n0.489632 0.736605 0.418035 Na\n0.003022 0.757627 0.077962 Na\n0.498654 0.758142 0.077147 Na\n0.501424 0.241335 0.922361 Na\n0.998545 0.241676 0.922337 Na\n0.502745 0.260265 0.583231 Na\n0.996573 0.260977 0.584089 Na\n0.507940 0.256975 0.247780 Na\n0.991340 0.256753 0.246535 Na\n0.750578 0.083434 0.746988 Na\n0.759311 0.070681 0.414420 Na\n0.750372 0.642974 0.926229 Mn\n0.755647 0.646744 0.588889 Mn\n0.757669 0.646682 0.264389 Mn\n0.250046 0.356727 0.740685 Mn\n0.247757 0.357584 0.405945 Mn\n0.252104 0.356667 0.073128 Mn\n0.250267 0.580698 0.902220 P\n0.251787 0.583765 0.568845 P\n0.251677 0.582208 0.230133 P\n0.749989 0.418080 0.766855 P\n0.747396 0.412530 0.430574 P\n0.751155 0.423309 0.100175 P\n0.750139 0.929619 0.906598 C\n0.745443 0.942734 0.579055 C\n0.746598 0.932570 0.243813 C\n0.250005 0.064478 0.753512 C\n0.253776 0.064477 0.422927 C\n0.250223 0.070711 0.094222 C\n0.251053 0.922907 0.754405 O\n0.267205 0.923664 0.425566 O\n0.250794 0.930279 0.096406 O\n0.750930 0.856129 0.978285 O\n0.754389 0.879660 0.653375 O\n0.742389 0.858689 0.316258 O\n0.750059 0.848001 0.837475 O\n0.734166 0.860140 0.511184 O\n0.750629 0.851992 0.175376 O\n0.062062 0.669148 0.929192 O\n0.439102 0.669401 0.929380 O\n0.068821 0.676970 0.595893 O\n0.436192 0.679008 0.594180 O\n0.065946 0.678605 0.247686 O\n0.435027 0.677744 0.255832 O\n0.249985 0.562540 0.802957 O\n0.750121 0.570149 0.723233 O\n0.256855 0.554374 0.470845 O\n0.739607 0.565257 0.387766 O\n0.258860 0.552979 0.130434 O\n0.750682 0.576628 0.057321 O\n0.250186 0.423940 0.942720 O\n0.750028 0.444900 0.866945 O\n0.251459 0.430262 0.612768 O\n0.750345 0.433993 0.529372 O\n0.247989 0.430821 0.274759 O\n0.751149 0.447599 0.200244 O\n0.566611 0.321400 0.743185 O\n0.933067 0.322003 0.743426 O\n0.563884 0.314436 0.405321 O\n0.932740 0.320091 0.403257 O\n0.563537 0.331043 0.075549 O\n0.939131 0.332598 0.075803 O\n0.249712 0.148445 0.821277 O\n0.245632 0.147050 0.491870 O\n0.249979 0.152521 0.163218 O\n0.249086 0.132733 0.679551 O\n0.246544 0.132485 0.349277 O\n0.249836 0.144999 0.022456 O\n0.749575 0.070521 0.904176 O\n0.749780 0.086402 0.573801 O\n0.748749 0.073966 0.247046 O\n",
"nsites": 75,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.79312592349314,
"density_atomic": 0.07863245508260605,
"volume": 953.8046334838455,
"volume_molar": 7.658594347173235,
"formula_full": "Na15 Mn6 P6 C6 O42",
"formula_reduced": "Na5Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D5E14",
"energy": -545.58209231,
"energy_per_atom": -7.2744278974666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -506.72009231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.3003699,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.525000Z",
"spacegroup": 1
},
{
"id": "mp-1176081",
"created_at": "2022-09-04T14:39:35.045278Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.997556 0.000000 0.000000\n-0.364050 5.962832 0.000000\n-1.730795 -2.458444 9.624439\nLi Mn Co O\n9 2 5 16\ndirect\n0.259218 0.865143 0.743759 Li\n0.243490 0.386192 0.256085 Li\n0.741943 0.624952 0.743599 Li\n0.747137 0.128165 0.253568 Li\n0.244334 0.372915 0.747288 Li\n0.260928 0.866219 0.254653 Li\n0.749809 0.127557 0.747365 Li\n0.748202 0.632546 0.254450 Li\n0.498962 0.747314 0.498729 Li\n0.999381 0.996036 0.998551 Mn\n0.499291 0.253342 0.000364 Mn\n0.010703 0.508971 0.502014 Co\n0.500357 0.747307 0.999400 Co\n0.504766 0.251164 0.500442 Co\n0.000253 0.502761 0.001697 Co\n0.996114 0.993936 0.497014 Co\n0.134727 0.178808 0.881293 O\n0.111288 0.666997 0.380970 O\n0.635125 0.921766 0.879503 O\n0.638978 0.423827 0.392933 O\n0.142322 0.674230 0.886973 O\n0.125641 0.210292 0.398469 O\n0.641207 0.434317 0.884815 O\n0.644481 0.953288 0.388235 O\n0.347138 0.549104 0.613600 O\n0.363281 0.070249 0.117461 O\n0.857698 0.329815 0.616624 O\n0.858969 0.817030 0.115523 O\n0.366157 0.073408 0.607357 O\n0.360044 0.576762 0.117281 O\n0.904080 0.792000 0.604022 O\n0.863978 0.323589 0.115965 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.186032614428436,
"density_atomic": 0.11157433608243324,
"volume": 286.8043057532316,
"volume_molar": 5.397424686937621,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.63600933,
"energy_per_atom": -6.4886252915625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.11800933,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.799000Z",
"spacegroup": 1
},
{
"id": "mp-849692",
"created_at": "2022-09-04T14:39:35.075950Z",
"structure_string": "Li8 Mn8 P16 O56\n1.0\n9.751467 0.000000 0.000000\n-0.038387 9.754091 0.000000\n-2.280058 -0.042245 10.937388\nLi Mn P O\n8 8 16 56\ndirect\n0.593569 0.608521 0.026165 Li\n0.661562 0.914685 0.540067 Li\n0.611111 0.222036 0.449498 Li\n0.414162 0.395145 0.973506 Li\n0.351973 0.093912 0.953565 Li\n0.084559 0.902136 0.025471 Li\n0.160597 0.580149 0.534740 Li\n0.109114 0.283905 0.450926 Li\n0.797914 0.922553 0.326248 Mn\n0.745042 0.209336 0.169842 Mn\n0.778819 0.723731 0.833172 Mn\n0.695209 0.429152 0.669776 Mn\n0.296418 0.573212 0.321814 Mn\n0.225664 0.279002 0.163766 Mn\n0.270378 0.784607 0.830245 Mn\n0.193092 0.071125 0.665915 Mn\n0.973178 0.445872 0.246721 P\n0.885806 0.711994 0.116414 P\n0.935918 0.929856 0.756765 P\n0.868951 0.152634 0.574860 P\n0.619595 0.640437 0.427501 P\n0.563186 0.424773 0.239956 P\n0.476014 0.055226 0.243534 P\n0.623078 0.210356 0.884632 P\n0.383216 0.791427 0.113232 P\n0.532339 0.939777 0.758460 P\n0.439142 0.568292 0.758443 P\n0.368921 0.345020 0.574632 P\n0.121274 0.856114 0.426747 P\n0.069289 0.075193 0.242109 P\n0.112351 0.287720 0.885416 P\n0.032141 0.560426 0.758884 P\n0.979864 0.419330 0.378725 O\n0.963943 0.851661 0.431059 O\n0.920412 0.087427 0.267012 O\n0.886659 0.344770 0.154004 O\n0.900084 0.591240 0.216414 O\n0.813146 0.825914 0.177217 O\n0.778296 0.658437 0.001401 O\n0.977871 0.258451 0.920936 O\n0.878266 0.075911 0.704676 O\n0.933753 0.916417 0.889879 O\n0.883864 0.558503 0.793411 O\n0.796422 0.287533 0.589456 O\n0.828728 0.822099 0.689143 O\n0.773969 0.062262 0.476619 O\n0.704560 0.559410 0.534228 O\n0.661230 0.306777 0.298072 O\n0.675815 0.783896 0.414770 O\n0.630532 0.043781 0.213916 O\n0.632107 0.564113 0.302140 O\n0.566961 0.435849 0.106462 O\n0.520204 0.765046 0.079177 O\n0.726682 0.159692 0.998943 O\n0.682455 0.329735 0.820104 O\n0.605446 0.087895 0.785056 O\n0.586421 0.582406 0.727179 O\n0.621502 0.839236 0.848510 O\n0.478628 0.090068 0.373306 O\n0.517972 0.333264 0.555907 O\n0.460339 0.643787 0.429172 O\n0.520224 0.913934 0.626235 O\n0.388146 0.148381 0.144068 O\n0.415559 0.409360 0.269001 O\n0.405567 0.906739 0.220081 O\n0.313580 0.673969 0.169166 O\n0.277421 0.858920 0.001250 O\n0.478976 0.233561 0.911632 O\n0.439815 0.564827 0.893032 O\n0.375346 0.424317 0.703347 O\n0.384655 0.949387 0.799314 O\n0.300122 0.207794 0.591474 O\n0.334815 0.680525 0.698484 O\n0.271717 0.431837 0.477609 O\n0.206944 0.936732 0.534564 O\n0.164454 0.194937 0.305932 O\n0.177815 0.713207 0.411579 O\n0.126800 0.456689 0.214739 O\n0.087841 0.076076 0.111467 O\n0.134053 0.935096 0.302504 O\n0.025354 0.742613 0.089409 O\n0.230686 0.337256 0.997404 O\n0.184647 0.169924 0.823903 O\n0.100177 0.409737 0.786635 O\n0.126138 0.658524 0.851642 O\n0.086694 0.918880 0.728658 O\n0.017755 0.167546 0.555313 O\n0.028512 0.586462 0.627923 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.0112977876668463,
"density_atomic": 0.08458868916400608,
"volume": 1040.3282149151153,
"volume_molar": 7.119321530475403,
"formula_full": "Li8 Mn8 P16 O56",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -672.34848822,
"energy_per_atom": -7.640323729772728,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -620.53248822,
"band_gap": 0.3765999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9950049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.595000Z",
"spacegroup": 1
},
{
"id": "mp-1235062",
"created_at": "2022-09-04T14:39:35.060835Z",
"structure_string": "Sr2 Li1 V2 Si4 O14\n1.0\n5.154468 0.037976 -1.811782\n0.010817 7.195678 -0.113727\n0.019282 -0.128525 7.834357\nSr Li V Si O\n2 1 2 4 14\ndirect\n0.172237 0.767381 0.388169 Sr\n0.809765 0.251656 0.602977 Sr\n0.874218 0.514549 0.998568 Li\n0.920172 0.773001 0.793187 V\n0.107239 0.252999 0.238534 V\n0.400931 0.481206 0.790167 Si\n0.590352 0.531286 0.228693 Si\n0.593138 0.982442 0.216622 Si\n0.402157 0.034163 0.783994 Si\n0.621773 0.759305 0.276746 O\n0.365127 0.257358 0.727402 O\n0.496160 0.491679 0.012285 O\n0.491187 0.011484 0.001840 O\n0.649964 0.546637 0.739708 O\n0.886168 0.448335 0.309597 O\n0.392621 0.070377 0.313759 O\n0.112156 0.955628 0.686968 O\n0.003966 0.261591 0.014707 O\n0.019058 0.746471 0.038930 O\n0.884311 0.070382 0.309069 O\n0.617786 0.951973 0.700903 O\n0.122967 0.576430 0.696146 O\n0.391550 0.448852 0.322694 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Sr",
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Sr-V",
"density": 3.543222479010414,
"density_atomic": 0.0791055677777166,
"volume": 290.75071004646674,
"volume_molar": 7.612790008564213,
"formula_full": "Sr2 Li1 V2 Si4 O14",
"formula_reduced": "Sr2LiV2(Si2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -184.21150141,
"energy_per_atom": -8.009195713478261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.19350141,
"band_gap": 0.6894,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9763789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.335000Z",
"spacegroup": 1
},
{
"id": "mp-531700",
"created_at": "2022-09-04T14:39:35.064803Z",
"structure_string": "Mn16 V8 O32\n1.0\n5.388242 -0.101229 -3.092090\n-1.891689 5.035226 -3.098407\n-0.034404 -0.079375 24.707589\nMn V O\n16 8 32\ndirect\n0.105979 0.879215 0.813987 Mn\n0.500104 0.503482 0.001869 Mn\n0.493728 0.492476 0.873214 Mn\n0.108786 0.887056 0.561869 Mn\n0.493861 0.492380 0.749078 Mn\n0.881183 0.121805 0.936782 Mn\n0.501872 0.495268 0.624210 Mn\n0.112975 0.883968 0.308987 Mn\n0.500695 0.493679 0.499347 Mn\n0.874740 0.116676 0.685073 Mn\n0.508860 0.500973 0.375755 Mn\n0.505445 0.501805 0.250769 Mn\n0.881893 0.123117 0.438218 Mn\n0.493547 0.497145 0.123296 Mn\n0.497162 0.003545 0.000396 Mn\n0.893508 0.141423 0.192019 Mn\n0.977188 0.476454 0.866771 V\n0.003763 0.506077 0.625987 V\n0.471787 0.976273 0.744759 V\n0.018475 0.520022 0.379349 V\n0.489450 0.991285 0.496885 V\n0.987101 0.519794 0.126265 V\n0.120071 0.877935 0.063589 V\n0.513479 0.012802 0.251980 V\n0.236561 0.755515 0.004857 O\n0.225196 0.298665 0.881081 O\n0.236035 0.718852 0.876147 O\n0.764681 0.755395 0.004069 O\n0.242607 0.745210 0.743587 O\n0.283505 0.220572 0.749496 O\n0.243623 0.743146 0.629094 O\n0.229843 0.296720 0.627784 O\n0.778969 0.702378 0.873309 O\n0.727927 0.230472 0.860630 O\n0.693619 0.759380 0.745049 O\n0.740690 0.234698 0.755465 O\n0.251377 0.749847 0.494049 O\n0.291039 0.225710 0.501720 O\n0.250062 0.749707 0.379438 O\n0.236558 0.297322 0.377684 O\n0.770135 0.706103 0.621929 O\n0.749118 0.247402 0.614919 O\n0.699414 0.765166 0.495864 O\n0.748554 0.245638 0.508125 O\n0.256561 0.740306 0.239104 O\n0.300557 0.227637 0.254057 O\n0.238874 0.236076 0.122651 O\n0.245059 0.771985 0.126993 O\n0.775563 0.712560 0.373559 O\n0.760653 0.253331 0.367391 O\n0.697412 0.766789 0.242926 O\n0.761326 0.260878 0.261522 O\n0.284107 0.259127 0.005214 O\n0.777432 0.728931 0.126276 O\n0.779290 0.294300 0.128663 O\n0.788004 0.285520 0.016897 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mn",
"V",
"O"
],
"chemical_system": "Mn-O-V",
"density": 4.502681887298644,
"density_atomic": 0.08442956586932525,
"volume": 663.2747595394871,
"volume_molar": 7.1327392223249015,
"formula_full": "Mn16 V8 O32",
"formula_reduced": "Mn2VO4",
"formula_anonymous": "AB2C4",
"energy": -500.8087384,
"energy_per_atom": -8.943013185714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -438.5367384,
"band_gap": 0.0696000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 88.0002056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.032000Z",
"spacegroup": 1
},
{
"id": "mp-531130",
"created_at": "2022-09-04T14:39:35.091256Z",
"structure_string": "Tl1 Bi25 O39\n1.0\n9.017389 0.000000 0.000000\n-3.029744 8.494586 0.000000\n-0.023994 -0.053463 14.681608\nTl Bi O\n1 25 39\ndirect\n0.500841 0.504285 0.497235 Tl\n0.024125 0.325214 0.167348 Bi\n0.394179 0.233918 0.097050 Bi\n0.832883 0.524115 0.334134 Bi\n0.241242 0.741321 0.428076 Bi\n0.530203 0.832766 0.663040 Bi\n0.772598 0.578722 0.083133 Bi\n0.903913 0.733835 0.596364 Bi\n0.444679 0.582319 0.253303 Bi\n0.083813 0.945186 0.247137 Bi\n0.331642 0.023929 0.831408 Bi\n0.732397 0.232145 0.928889 Bi\n0.736048 0.903381 0.405989 Bi\n0.226175 0.733718 0.076398 Bi\n0.276794 0.088282 0.581802 Bi\n0.653714 0.988144 0.154388 Bi\n0.937848 0.094059 0.740196 Bi\n0.581406 0.446874 0.748341 Bi\n0.088219 0.274909 0.415247 Bi\n0.232268 0.384940 0.909208 Bi\n0.487249 0.159131 0.345814 Bi\n0.733972 0.253135 0.565986 Bi\n0.172978 0.492283 0.647456 Bi\n0.561073 0.767101 0.920831 Bi\n0.995865 0.638199 0.842354 Bi\n0.984035 0.980192 0.986391 Bi\n0.062960 0.424883 0.311025 O\n0.699374 0.321234 0.057172 O\n0.133694 0.500720 0.500071 O\n0.550788 0.436319 0.186490 O\n0.379980 0.379515 0.376729 O\n0.742361 0.496720 0.502230 O\n0.926331 0.565002 0.188625 O\n0.002988 0.736598 0.377180 O\n0.563974 0.923462 0.813676 O\n0.232777 0.498044 0.120827 O\n0.197287 0.822973 0.557114 O\n0.686363 0.686014 0.315914 O\n0.627604 0.000673 0.000202 O\n0.688745 0.689515 0.689202 O\n0.508049 0.749633 0.502671 O\n0.045039 0.936039 0.690177 O\n0.506821 0.754028 0.130318 O\n0.895122 0.899006 0.117050 O\n0.256052 0.005517 0.369629 O\n0.423546 0.067236 0.689924 O\n0.499257 0.235853 0.878896 O\n0.936126 0.050909 0.311855 O\n0.566460 0.944898 0.320265 O\n0.743113 0.008066 0.626254 O\n0.183570 0.182707 0.815805 O\n0.008185 0.222382 0.001668 O\n0.016520 0.257264 0.630758 O\n0.442311 0.065860 0.180755 O\n0.377497 0.385597 0.620686 O\n0.821831 0.199830 0.442183 O\n0.756741 0.512547 0.866982 O\n0.500588 0.134373 0.500754 O\n0.431779 0.546969 0.817582 O\n0.061933 0.432881 0.824180 O\n0.194853 0.195050 0.195199 O\n0.950641 0.567523 0.682885 O\n0.313434 0.702266 0.944715 O\n0.998935 0.628577 0.999553 O\n0.223213 0.003213 0.007283 O\n",
"nsites": 65,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"O"
],
"chemical_system": "Bi-O-Tl",
"density": 8.937453391539115,
"density_atomic": 0.05779851892397708,
"volume": 1124.596290875465,
"volume_molar": 10.419195633578392,
"formula_full": "Tl1 Bi25 O39",
"formula_reduced": "TlBi25O39",
"formula_anonymous": "AB25C39",
"energy": -396.30093715,
"energy_per_atom": -6.096937494615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.50793715,
"band_gap": 2.136,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.406000Z",
"spacegroup": 1
},
{
"id": "mp-686239",
"created_at": "2022-09-04T14:39:35.155938Z",
"structure_string": "Sr5 Li25 La7 Nb8 O48\n1.0\n11.267272 0.000000 0.000000\n-3.430774 11.012428 0.000000\n-3.919271 -5.487040 9.409546\nSr Li La Nb O\n5 25 7 8 48\ndirect\n0.862167 0.128313 0.720749 Sr\n0.122105 0.276006 0.390508 Sr\n0.260481 0.612965 0.375260 Sr\n0.111087 0.873837 0.233543 Sr\n0.639086 0.345156 0.258713 Sr\n0.762850 0.152331 0.380871 Li\n0.609297 0.860923 0.764294 Li\n0.071647 0.349861 0.688795 Li\n0.686871 0.958806 0.419196 Li\n0.579189 0.544497 0.207224 Li\n0.218664 0.046796 0.026423 Li\n0.610798 0.837990 0.571838 Li\n0.858677 0.651373 0.236940 Li\n0.361803 0.132278 0.258753 Li\n0.571659 0.709462 0.361533 Li\n0.796216 0.480437 0.021611 Li\n0.119488 0.800459 0.518488 Li\n0.960024 0.536416 0.278846 Li\n0.239286 0.446866 0.966907 Li\n0.809183 0.100343 0.938095 Li\n0.750671 0.081069 0.115090 Li\n0.740661 0.622468 0.853144 Li\n0.781380 0.788692 0.364162 Li\n0.386645 0.256663 0.586203 Li\n0.880887 0.290276 0.136203 Li\n0.154827 0.223746 0.163429 Li\n0.119976 0.752017 0.864981 Li\n0.545397 0.153449 0.428991 Li\n0.330022 0.382092 0.162681 Li\n0.056485 0.319224 0.029606 Li\n0.594697 0.194033 0.838352 La\n0.372167 0.627800 0.743144 La\n0.237907 0.143168 0.840154 La\n0.783507 0.401198 0.636463 La\n0.861232 0.745803 0.615196 La\n0.727792 0.848205 0.128630 La\n0.394069 0.789862 0.137909 La\n0.494027 0.480574 0.949647 Nb\n0.019282 0.533532 0.991717 Nb\n0.017834 0.522481 0.516013 Nb\n0.960310 0.961769 0.982374 Nb\n0.029959 0.033327 0.494793 Nb\n0.441428 0.966398 0.489848 Nb\n0.473459 0.995456 0.985053 Nb\n0.498899 0.488619 0.494628 Nb\n0.583660 0.891386 0.923464 O\n0.857292 0.282981 0.956027 O\n0.815849 0.490964 0.873779 O\n0.597058 0.618637 0.912617 O\n0.325389 0.813947 0.923992 O\n0.350345 0.551090 0.912383 O\n0.423022 0.297902 0.799626 O\n0.391363 0.427331 0.583533 O\n0.581581 0.990720 0.674777 O\n0.502107 0.164840 0.602089 O\n0.978762 0.606630 0.671541 O\n0.135534 0.192844 0.986413 O\n0.396275 0.031865 0.832098 O\n0.997727 0.401577 0.813631 O\n0.128198 0.439078 0.599145 O\n0.079658 0.185894 0.680841 O\n0.703218 0.582510 0.655151 O\n0.046045 0.891432 0.868179 O\n0.179379 0.109573 0.465086 O\n0.495878 0.675279 0.581896 O\n0.259372 0.858424 0.452982 O\n0.073306 0.940150 0.609483 O\n0.813057 0.942803 0.817390 O\n0.828812 0.347874 0.435323 O\n0.207585 0.673547 0.585890 O\n0.154969 0.059523 0.157847 O\n0.882863 0.063724 0.380309 O\n0.710395 0.143587 0.523077 O\n0.528058 0.312980 0.425738 O\n0.764905 0.872128 0.522235 O\n0.931483 0.119490 0.110840 O\n0.300220 0.399592 0.318282 O\n0.923320 0.840940 0.315248 O\n0.913166 0.617128 0.416744 O\n0.987045 0.602964 0.162006 O\n0.596307 0.983501 0.176249 O\n0.878554 0.819647 0.016999 O\n0.018351 0.424424 0.326917 O\n0.471889 0.810052 0.380961 O\n0.378197 0.979152 0.309952 O\n0.587270 0.550066 0.374582 O\n0.600617 0.721790 0.203810 O\n0.670181 0.492424 0.090730 O\n0.667405 0.180986 0.062806 O\n0.396211 0.401516 0.041390 O\n0.131780 0.712514 0.024799 O\n0.182484 0.513606 0.104474 O\n0.413562 0.114146 0.098474 O\n",
"nsites": 93,
"nelements": 5,
"elements": [
"Sr",
"Li",
"La",
"Nb",
"O"
],
"chemical_system": "La-Li-Nb-O-Sr",
"density": 4.402154224865503,
"density_atomic": 0.07965488560110018,
"volume": 1167.5366714570425,
"volume_molar": 7.560290513952887,
"formula_full": "Sr5 Li25 La7 Nb8 O48",
"formula_reduced": "Sr5Li25La7Nb8O48",
"formula_anonymous": "A5B7C8D25E48",
"energy": -677.25194078,
"energy_per_atom": -7.28227893311828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -644.27594078,
"band_gap": 3.2109,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.255000Z",
"spacegroup": 1
},
{
"id": "mp-778083",
"created_at": "2022-09-04T14:39:35.143395Z",
"structure_string": "Li8 Mn1 Fe7 B8 O24\n1.0\n5.223812 0.000000 0.000000\n-0.031946 9.070909 0.000000\n-2.459062 -4.286369 10.357650\nLi Mn Fe B O\n8 1 7 8 24\ndirect\n0.023051 0.035622 0.417864 Li\n0.299250 0.284371 0.915917 Li\n0.486058 0.503493 0.663677 Li\n0.266046 0.249459 0.168047 Li\n0.521518 0.537110 0.415971 Li\n0.798758 0.781913 0.916622 Li\n0.984908 0.006261 0.667712 Li\n0.765943 0.749007 0.169189 Li\n0.981867 0.653278 0.633303 Mn\n0.003073 0.350128 0.377026 Fe\n0.271491 0.944028 0.884617 Fe\n0.484356 0.158313 0.635340 Fe\n0.247029 0.567767 0.132107 Fe\n0.509213 0.857235 0.383318 Fe\n0.779660 0.440498 0.884670 Fe\n0.745220 0.065284 0.130152 Fe\n0.017070 0.682677 0.373976 B\n0.272902 0.602388 0.876543 B\n0.234892 0.898374 0.127076 B\n0.475589 0.817098 0.627772 B\n0.515299 0.184014 0.374983 B\n0.769436 0.103858 0.878106 B\n0.733655 0.398182 0.125329 B\n0.980794 0.311581 0.625093 B\n0.027461 0.107829 0.865170 O\n0.111575 0.713808 0.849839 O\n0.174714 0.490161 0.916516 O\n0.088028 0.168742 0.615077 O\n0.107997 0.422359 0.594022 O\n0.242530 0.851071 0.669352 O\n0.264921 0.656341 0.344236 O\n0.527571 0.601168 0.859717 O\n0.605575 0.212512 0.848616 O\n0.398244 0.079866 0.416454 O\n0.391140 0.311864 0.359972 O\n0.674570 0.990459 0.917500 O\n0.339422 0.019002 0.097638 O\n0.576623 0.671577 0.612933 O\n0.604814 0.928097 0.596977 O\n0.397497 0.794719 0.164081 O\n0.463863 0.381122 0.114150 O\n0.743879 0.343292 0.663826 O\n0.764231 0.155288 0.346364 O\n0.902047 0.577410 0.415102 O\n0.889555 0.810594 0.360951 O\n0.838893 0.518467 0.095845 O\n0.895862 0.294514 0.162842 O\n0.965110 0.880998 0.116009 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2881440246457396,
"density_atomic": 0.0978006310599878,
"volume": 490.79437913399886,
"volume_molar": 6.157568407003641,
"formula_full": "Li8 Mn1 Fe7 B8 O24",
"formula_reduced": "Li8MnFe7(BO3)8",
"formula_anonymous": "AB7C8D8E24",
"energy": -369.20373073,
"energy_per_atom": -7.691744390208334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.25573073,
"band_gap": 3.1706000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.9856289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.884000Z",
"spacegroup": 1
},
{
"id": "mp-760111",
"created_at": "2022-09-04T14:39:35.183549Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.743857 0.000000 0.000000\n4.866480 8.455920 0.000000\n0.113660 0.056080 14.196200\nLi V P O\n8 6 16 58\ndirect\n0.762008 0.336887 0.446976 Li\n0.766662 0.899143 0.945180 Li\n0.330137 0.765873 0.941318 Li\n0.326398 0.909908 0.437492 Li\n0.675190 0.231973 0.056832 Li\n0.230145 0.670937 0.557123 Li\n0.025012 0.023097 0.999635 Li\n0.944888 0.013736 0.507353 Li\n0.565560 0.998577 0.743792 V\n0.434012 0.003489 0.253926 V\n0.565047 0.435136 0.248635 V\n0.433960 0.564192 0.752730 V\n0.000868 0.434528 0.753177 V\n0.999294 0.563525 0.246668 V\n0.918638 0.302935 0.154547 P\n0.776707 0.313317 0.661371 P\n0.919349 0.775985 0.658806 P\n0.666261 0.671533 0.868187 P\n0.667558 0.661704 0.367919 P\n0.774242 0.913998 0.160032 P\n0.695378 0.085249 0.342171 P\n0.314032 0.778588 0.158895 P\n0.686523 0.220689 0.841527 P\n0.312281 0.911799 0.653707 P\n0.221003 0.084149 0.835741 P\n0.329462 0.336287 0.632571 P\n0.335199 0.333304 0.133088 P\n0.078942 0.224866 0.341123 P\n0.221883 0.685477 0.337877 P\n0.081954 0.694275 0.844541 P\n0.986025 0.218653 0.423011 O\n0.916644 0.345277 0.671611 O\n0.770647 0.208795 0.931141 O\n0.741162 0.341947 0.162015 O\n0.924649 0.458196 0.165956 O\n0.811074 0.524893 0.821079 O\n0.925194 0.616224 0.669722 O\n0.992692 0.793224 0.926774 O\n0.917062 0.742810 0.167423 O\n0.670060 0.510714 0.322338 O\n0.619611 0.467974 0.674895 O\n0.809639 0.664222 0.316955 O\n0.673601 0.678333 0.972672 O\n0.679374 0.636902 0.471765 O\n0.671394 0.817954 0.823222 O\n0.470513 0.619028 0.173973 O\n0.512450 0.675251 0.832769 O\n0.743777 0.913184 0.664729 O\n0.794982 0.008639 0.246105 O\n0.795870 0.007972 0.424712 O\n0.778898 0.994736 0.070378 O\n0.620258 0.911212 0.174645 O\n0.511736 0.811426 0.336404 O\n0.656495 0.078580 0.834620 O\n0.471997 0.907952 0.671816 O\n0.338436 0.741429 0.663632 O\n0.795416 0.201529 0.751122 O\n0.789099 0.228322 0.571943 O\n0.226293 0.767617 0.426545 O\n0.655223 0.262345 0.336631 O\n0.541228 0.077195 0.332647 O\n0.347088 0.915835 0.172490 O\n0.478636 0.186237 0.678238 O\n0.382942 0.075921 0.826159 O\n0.206145 0.992853 0.916520 O\n0.238496 0.982882 0.561530 O\n0.197417 0.010135 0.739078 O\n0.252255 0.085794 0.341975 O\n0.489772 0.329206 0.175463 O\n0.528877 0.378712 0.827744 O\n0.332125 0.191376 0.179140 O\n0.346680 0.338212 0.029214 O\n0.329348 0.330650 0.528282 O\n0.186083 0.333756 0.682366 O\n0.380616 0.528489 0.323195 O\n0.326391 0.487433 0.670249 O\n0.085346 0.258306 0.835575 O\n0.002767 0.199310 0.246744 O\n0.992037 0.205125 0.069885 O\n0.078221 0.383031 0.325917 O\n0.188451 0.482471 0.178391 O\n0.079803 0.537804 0.831118 O\n0.255576 0.660548 0.841777 O\n0.235026 0.787941 0.067952 O\n0.201147 0.794394 0.247395 O\n0.082491 0.654230 0.334661 O\n0.001976 0.796139 0.574790 O\n0.003117 0.797453 0.750162 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5337040967347817,
"density_atomic": 0.0752348043246753,
"volume": 1169.671414578771,
"volume_molar": 8.004461251751904,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -670.16314229,
"energy_per_atom": -7.615490253295454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -620.11714229,
"band_gap": 0.9650999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0335735,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.326000Z",
"spacegroup": 1
},
{
"id": "mp-851576",
"created_at": "2022-09-04T14:39:35.230802Z",
"structure_string": "B84 O11\n1.0\n11.806923 0.000000 0.000000\n-0.157791 7.394016 0.000000\n-0.891378 -3.348167 8.089011\nB O\n84 11\ndirect\n0.852528 0.950894 0.090904 B\n0.567672 0.989809 0.225500 B\n0.728997 0.949292 0.430451 B\n0.837288 0.898586 0.848175 B\n0.716635 0.904541 0.194155 B\n0.526228 0.950766 0.436590 B\n0.068859 0.983847 0.234698 B\n0.653677 0.837173 0.543776 B\n0.381612 0.904053 0.197175 B\n0.948645 0.756911 0.472548 B\n0.194578 0.954852 0.098623 B\n0.764856 0.808932 0.386609 B\n0.501640 0.874693 0.051817 B\n0.431452 0.808435 0.390412 B\n0.995886 0.663117 0.661474 B\n0.049177 0.903694 0.855778 B\n0.621620 0.762420 0.147985 B\n0.135734 0.844392 0.505393 B\n0.296353 0.805378 0.709396 B\n0.715512 0.714713 0.791374 B\n0.871744 0.665850 0.998580 B\n0.004184 0.867684 0.061166 B\n0.579088 0.724130 0.356253 B\n0.417403 0.763713 0.150814 B\n0.977924 0.610424 0.416841 B\n0.285447 0.758956 0.475562 B\n0.859758 0.621301 0.764365 B\n0.670366 0.669949 0.007092 B\n0.092212 0.807147 0.712055 B\n0.211369 0.694718 0.806653 B\n0.796655 0.553752 0.112877 B\n0.526168 0.623845 0.767709 B\n0.333162 0.664764 0.666073 B\n0.909144 0.524706 0.957444 B\n0.071189 0.728226 0.333059 B\n0.646452 0.592119 0.625231 B\n0.575427 0.526306 0.961916 B\n0.189571 0.615134 0.425723 B\n0.764701 0.478671 0.717718 B\n0.281900 0.558878 0.080225 B\n0.856827 0.430670 0.357261 B\n0.441541 0.518497 0.283578 B\n0.145598 0.579210 0.631984 B\n0.722181 0.441397 0.925662 B\n0.561346 0.481687 0.722939 B\n0.430497 0.472812 0.049402 B\n0.238200 0.521161 0.286505 B\n0.808904 0.387196 0.568936 B\n0.355666 0.407917 0.380465 B\n0.925902 0.270746 0.663173 B\n0.095757 0.474251 0.049268 B\n0.667952 0.339232 0.331981 B\n0.475205 0.375853 0.238746 B\n0.786940 0.307163 0.190150 B\n0.216505 0.443376 0.907821 B\n0.142754 0.377983 0.239465 B\n0.712587 0.242965 0.521285 B\n0.903442 0.192292 0.282757 B\n0.333999 0.328078 0.002260 B\n0.420592 0.276016 0.645222 B\n0.011276 0.380923 0.564537 B\n0.995051 0.132443 0.937110 B\n0.582010 0.236075 0.848299 B\n0.286459 0.283809 0.214676 B\n0.860871 0.155405 0.491097 B\n0.701284 0.196052 0.287712 B\n0.130979 0.332475 0.006306 B\n0.999489 0.336031 0.330762 B\n0.567597 0.192159 0.608196 B\n0.378063 0.237735 0.852996 B\n0.949168 0.096162 0.141722 B\n0.497624 0.125323 0.947076 B\n0.804709 0.044995 0.899931 B\n0.233497 0.191762 0.612480 B\n0.046189 0.240079 0.520551 B\n0.617992 0.096054 0.801626 B\n0.345592 0.163737 0.455519 B\n0.930215 0.016286 0.763871 B\n0.282513 0.095823 0.804747 B\n0.473150 0.049633 0.562326 B\n0.161506 0.100976 0.150496 B\n0.431614 0.010627 0.773324 B\n0.269916 0.051046 0.568277 B\n0.146809 0.049055 0.907909 B\n0.135188 0.963795 0.445304 O\n0.432561 0.891352 0.836968 O\n0.281657 0.677880 0.020658 O\n0.007061 0.749818 0.123871 O\n0.578019 0.604327 0.411675 O\n0.717615 0.321671 0.977545 O\n0.425019 0.395918 0.593656 O\n0.148927 0.461779 0.695753 O\n0.993299 0.250752 0.874826 O\n0.565344 0.109285 0.161538 O\n0.862940 0.036710 0.553145 O\n",
"nsites": 95,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.5492525909064607,
"density_atomic": 0.13452749714663534,
"volume": 706.1753322924735,
"volume_molar": 4.476512897163209,
"formula_full": "B84 O11",
"formula_reduced": "B84O11",
"formula_anonymous": "A11B84",
"energy": -369.72053047,
"energy_per_atom": -3.8917950575789475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -362.16353047,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.016587,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.955000Z",
"spacegroup": 1
},
{
"id": "mp-676840",
"created_at": "2022-09-04T14:39:35.309381Z",
"structure_string": "Ag26 Pb12 O36\n1.0\n6.002268 0.000000 0.000000\n-0.068819 10.397572 0.000000\n-0.014284 -0.090441 19.466112\nAg Pb O\n26 12 36\ndirect\n0.001340 0.998410 0.411180 Ag\n0.994351 0.006076 0.744380 Ag\n0.250703 0.749318 0.000261 Ag\n0.486035 0.499791 0.254972 Ag\n0.493707 0.505893 0.744243 Ag\n0.752096 0.750209 0.000741 Ag\n0.749128 0.747348 0.334711 Ag\n0.750834 0.750493 0.666381 Ag\n0.000065 0.499690 0.999065 Ag\n0.999990 0.499955 0.666731 Ag\n0.002472 0.999859 0.255323 Ag\n0.007501 0.993977 0.587828 Ag\n0.997595 0.001629 0.919901 Ag\n0.249706 0.746709 0.332614 Ag\n0.251235 0.250548 0.999447 Ag\n0.248755 0.250170 0.665944 Ag\n0.249604 0.253070 0.333532 Ag\n0.498189 0.500141 0.077788 Ag\n0.508421 0.493739 0.588060 Ag\n0.514091 0.498447 0.412695 Ag\n0.499373 0.501533 0.922042 Ag\n0.496689 0.999626 0.000107 Ag\n0.499248 0.000334 0.334394 Ag\n0.499516 0.000171 0.666519 Ag\n0.750005 0.253039 0.333868 Ag\n0.751637 0.249574 0.001512 Ag\n0.492598 0.832325 0.502216 Pb\n0.504689 0.834839 0.164990 Pb\n0.497923 0.830394 0.831387 Pb\n0.998776 0.664696 0.167881 Pb\n0.005223 0.666613 0.831039 Pb\n0.000226 0.665898 0.500306 Pb\n0.000099 0.335351 0.167967 Pb\n0.992832 0.337800 0.500418 Pb\n0.997807 0.330028 0.830922 Pb\n0.502867 0.165044 0.164977 Pb\n0.500648 0.171016 0.502420 Pb\n0.505249 0.166318 0.831330 Pb\n0.311142 0.687573 0.103095 O\n0.312720 0.686855 0.771074 O\n0.313318 0.685102 0.434836 O\n0.625830 0.001421 0.564215 O\n0.625560 0.000694 0.231127 O\n0.619867 0.997867 0.896594 O\n0.685026 0.687350 0.231571 O\n0.684211 0.688030 0.564146 O\n0.694555 0.689297 0.896359 O\n0.812717 0.805021 0.104300 O\n0.805284 0.812278 0.437673 O\n0.814924 0.812597 0.769170 O\n0.812171 0.193958 0.104436 O\n0.811543 0.187117 0.435595 O\n0.811750 0.186623 0.770859 O\n0.873675 0.499301 0.101798 O\n0.877823 0.503000 0.438661 O\n0.872338 0.498265 0.769078 O\n0.122865 0.500781 0.227964 O\n0.130146 0.501598 0.565317 O\n0.122056 0.497776 0.895415 O\n0.192375 0.812546 0.230073 O\n0.182675 0.811020 0.560984 O\n0.187337 0.813220 0.897864 O\n0.192106 0.188449 0.230143 O\n0.181200 0.189143 0.563063 O\n0.193140 0.188133 0.895769 O\n0.311355 0.311406 0.103051 O\n0.307171 0.313909 0.437025 O\n0.315216 0.312054 0.768966 O\n0.382950 0.999190 0.103045 O\n0.377504 0.002547 0.438210 O\n0.373573 0.998104 0.769049 O\n0.685026 0.313686 0.231513 O\n0.688634 0.312069 0.562827 O\n0.688992 0.311952 0.898408 O\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.019274249177183,
"density_atomic": 0.060912325866682264,
"volume": 1214.8608503632336,
"volume_molar": 9.88657168202796,
"formula_full": "Ag26 Pb12 O36",
"formula_reduced": "Ag13(PbO3)6",
"formula_anonymous": "A6B13C18",
"energy": -357.49876941,
"energy_per_atom": -4.831064451486487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -332.76676941,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.744000Z",
"spacegroup": 1
},
{
"id": "mp-774319",
"created_at": "2022-09-04T14:39:35.519612Z",
"structure_string": "Li10 Ti2 Fe3 Ni3 O16\n1.0\n5.956138 0.000000 0.000000\n2.958010 5.190312 0.000000\n0.087405 0.000848 9.827090\nLi Ti Fe Ni O\n10 2 3 3 16\ndirect\n0.195177 0.613106 0.957822 Li\n0.193328 0.197159 0.958941 Li\n0.330625 0.335859 0.747371 Li\n0.605095 0.199947 0.961429 Li\n0.381082 0.808562 0.458161 Li\n0.000988 0.000428 0.026833 Li\n0.659743 0.673057 0.247872 Li\n0.796831 0.809185 0.464971 Li\n0.993039 0.001882 0.530125 Li\n0.795521 0.400906 0.464706 Li\n0.340355 0.321376 0.486458 Ti\n0.677468 0.655956 0.985282 Ti\n0.168484 0.657435 0.229208 Fe\n0.166424 0.168038 0.226928 Fe\n0.343406 0.826665 0.728535 Fe\n0.660316 0.168796 0.226781 Ni\n0.831832 0.830107 0.727866 Ni\n0.831464 0.338699 0.727129 Ni\n0.176332 0.659639 0.600397 O\n0.014541 0.502146 0.358217 O\n0.010128 0.995845 0.835093 O\n0.483738 0.494313 0.353534 O\n0.172130 0.169754 0.597143 O\n0.326990 0.340024 0.109184 O\n0.003473 0.991149 0.335813 O\n0.492100 0.023661 0.362374 O\n0.506023 0.980138 0.855529 O\n0.650058 0.177977 0.595134 O\n0.345196 0.815809 0.096728 O\n0.507353 0.513602 0.853884 O\n0.657516 0.672262 0.609421 O\n0.833215 0.824445 0.098962 O\n0.977787 0.511956 0.858114 O\n0.820452 0.346459 0.090281 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Ti",
"density": 4.180085894833188,
"density_atomic": 0.11191692448264896,
"volume": 303.7967685153034,
"volume_molar": 5.380902654212629,
"formula_full": "Li10 Ti2 Fe3 Ni3 O16",
"formula_reduced": "Li10Ti2Fe3Ni3O16",
"formula_anonymous": "A2B3C3D10E16",
"energy": -228.93988317,
"energy_per_atom": -6.733525975588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.55688317,
"band_gap": 1.2175000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.034000Z",
"spacegroup": 1
}
]
}