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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10364",
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"results": [
{
"id": "mp-1666401",
"created_at": "2022-09-04T14:41:53.888669Z",
"structure_string": "Li6 Mn2 V8 O24\n1.0\n5.529354 1.438254 5.288444\n-2.267474 8.444914 5.500569\n-0.840661 -5.650653 5.287715\nLi Mn V O\n6 2 8 24\ndirect\n0.125347 0.379700 0.264766 Li\n0.114913 0.870296 0.744948 Li\n0.238764 0.125000 0.886274 Li\n0.218707 0.625010 0.406251 Li\n0.776850 0.371931 0.587402 Li\n0.784469 0.878131 0.101255 Li\n0.909297 0.624944 0.715938 Mn\n0.905562 0.125026 0.219337 Mn\n0.206948 0.586830 0.982693 V\n0.205721 0.088265 0.485708 V\n0.602574 0.161763 0.955981 V\n0.604156 0.663120 0.456406 V\n0.391332 0.344559 0.537154 V\n0.391138 0.842866 0.044702 V\n0.807158 0.905379 0.513956 V\n0.798144 0.407116 0.015879 V\n0.016111 0.697354 0.929678 O\n0.023740 0.199015 0.422650 O\n0.776334 0.051015 0.027210 O\n0.767820 0.552706 0.536726 O\n0.124432 0.556952 0.186602 O\n0.112283 0.048715 0.677881 O\n0.370895 0.201288 0.089043 O\n0.370421 0.692902 0.568795 O\n0.194345 0.464863 0.493049 O\n0.215002 0.964747 0.988888 O\n0.971719 0.785166 0.590770 O\n0.975810 0.285233 0.070267 O\n0.341071 0.420580 0.797665 O\n0.352804 0.919361 0.286056 O\n0.633273 0.330660 0.977829 O\n0.622609 0.829490 0.488460 O\n0.351514 0.173863 0.538176 O\n0.368049 0.674445 0.010648 O\n0.635688 0.076145 0.724577 O\n0.663866 0.575531 0.207615 O\n0.636725 0.301899 0.420206 O\n0.624830 0.807238 0.919207 O\n0.881483 0.948157 0.311411 O\n0.888097 0.442738 0.817944 O\n",
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"formula_full": "Li6 Mn2 V8 O24",
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},
{
"id": "mp-1178056",
"created_at": "2022-09-04T14:41:54.170941Z",
"structure_string": "Li8 Co12 Sn4 O32\n1.0\n6.014627 6.011260 0.000000\n-6.014627 6.011260 0.000000\n0.000000 0.018759 8.492921\nLi Co Sn O\n8 12 4 32\ndirect\n0.003043 0.752467 0.876616 Li\n0.247533 0.996957 0.123384 Li\n0.250975 0.498039 0.626714 Li\n0.500822 0.252228 0.873182 Li\n0.501961 0.749025 0.373286 Li\n0.747772 0.499178 0.126818 Li\n0.751220 0.002157 0.624293 Li\n0.997843 0.248780 0.375707 Li\n0.113884 0.374080 0.011117 Co\n0.124348 0.615946 0.258498 Co\n0.133545 0.866455 0.500000 Co\n0.365546 0.365304 0.249199 Co\n0.375338 0.114738 0.489044 Co\n0.384054 0.875652 0.741502 Co\n0.616965 0.126608 0.240039 Co\n0.625920 0.886116 0.988883 Co\n0.634696 0.634454 0.750801 Co\n0.868782 0.131218 0.000000 Co\n0.873392 0.383035 0.759961 Co\n0.885262 0.624662 0.510956 Co\n0.124099 0.124771 0.749888 Sn\n0.374982 0.625018 0.000000 Sn\n0.625445 0.374555 0.500000 Sn\n0.875229 0.875901 0.250112 Sn\n0.092453 0.132754 0.997287 O\n0.110738 0.370368 0.774810 O\n0.115046 0.634871 0.490510 O\n0.128426 0.613719 0.021982 O\n0.121317 0.852988 0.263735 O\n0.133332 0.384274 0.239830 O\n0.134475 0.102193 0.504962 O\n0.147012 0.878683 0.736265 O\n0.353326 0.378474 0.012142 O\n0.362094 0.601559 0.246141 O\n0.365129 0.884954 0.509490 O\n0.379226 0.352032 0.487229 O\n0.370204 0.111731 0.729359 O\n0.383529 0.135447 0.257167 O\n0.386281 0.871574 0.978018 O\n0.398441 0.637906 0.753859 O\n0.603150 0.361709 0.253072 O\n0.616076 0.129285 0.476226 O\n0.615726 0.866668 0.760170 O\n0.629632 0.889262 0.225190 O\n0.621526 0.646674 0.987858 O\n0.647928 0.120186 0.006807 O\n0.638291 0.396850 0.746928 O\n0.647968 0.620774 0.512771 O\n0.857686 0.122056 0.226972 O\n0.867246 0.907547 0.002713 O\n0.864553 0.616471 0.742833 O\n0.877944 0.142314 0.773028 O\n0.870715 0.383924 0.523774 O\n0.879814 0.352072 0.993193 O\n0.888269 0.629796 0.270641 O\n0.897807 0.865525 0.495038 O\n",
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"density_atomic": 0.09118569969160892,
"volume": 614.1313845196412,
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"formula_full": "Li8 Co12 Sn4 O32",
"formula_reduced": "Li2Co3SnO8",
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"energy": -367.84372863,
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"spacegroup": 5
},
{
"id": "mp-1224723",
"created_at": "2022-09-04T14:41:54.463122Z",
"structure_string": "Gd3 Y13 O24\n1.0\n5.367127 7.590329 0.000000\n-5.367127 7.590329 0.000000\n0.000000 7.590053 7.585956\nGd Y O\n3 13 24\ndirect\n0.750273 0.750218 0.467221 Gd\n0.249782 0.249727 0.532779 Gd\n0.467767 0.532233 0.000000 Gd\n0.000949 0.500045 0.750417 Y\n0.499903 0.000691 0.750515 Y\n0.499955 0.999051 0.249583 Y\n0.999309 0.500097 0.249485 Y\n0.032999 0.967001 0.500000 Y\n0.784100 0.283122 0.216821 Y\n0.716878 0.215900 0.783179 Y\n0.249577 0.249379 0.032845 Y\n0.750621 0.750423 0.967155 Y\n0.532996 0.467004 0.500000 Y\n0.966884 0.033116 0.000000 Y\n0.217623 0.718370 0.282351 Y\n0.281630 0.782377 0.717649 Y\n0.031340 0.728779 0.760793 O\n0.469090 0.773092 0.021043 O\n0.271221 0.968660 0.239207 O\n0.226908 0.530910 0.978957 O\n0.739467 0.957253 0.021592 O\n0.042747 0.260533 0.978408 O\n0.457507 0.239230 0.781602 O\n0.760770 0.542493 0.218398 O\n0.228938 0.987665 0.793892 O\n0.487746 0.728807 0.489567 O\n0.271193 0.512254 0.510433 O\n0.012335 0.771062 0.206108 O\n0.966060 0.272120 0.741480 O\n0.533769 0.228172 0.479450 O\n0.727880 0.033940 0.258520 O\n0.771828 0.466231 0.520550 O\n0.261159 0.040332 0.478056 O\n0.959668 0.738841 0.521944 O\n0.540146 0.763574 0.718455 O\n0.236426 0.459854 0.281545 O\n0.770815 0.010338 0.707767 O\n0.510434 0.268355 0.011066 O\n0.731645 0.489566 0.988934 O\n0.989662 0.229185 0.292233 O\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Gd-O-Y",
"density": 5.404168255462978,
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"formula_full": "Gd3 Y13 O24",
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"energy": -403.37243579000005,
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"spacegroup": 5
},
{
"id": "mp-1312918",
"created_at": "2022-09-04T14:41:55.989281Z",
"structure_string": "V4 Cr2 O12\n1.0\n-1.453416 1.308788 5.158448\n6.954205 -0.117997 0.002931\n-0.830727 6.898534 -0.004427\nV Cr O\n4 2 12\ndirect\n0.687878 0.163780 0.603558 V\n0.219686 0.386459 0.806932 V\n0.812076 0.603795 0.163744 V\n0.280365 0.806749 0.386384 V\n0.249874 0.916782 0.917098 Cr\n0.749992 0.076872 0.076671 Cr\n0.634088 0.021675 0.824374 O\n0.137558 0.184011 0.962761 O\n0.866186 0.824385 0.021654 O\n0.362508 0.962607 0.183883 O\n0.786524 0.093837 0.355681 O\n0.713383 0.355864 0.093822 O\n0.198551 0.618972 0.948166 O\n0.301617 0.948041 0.619046 O\n0.530166 0.385911 0.669127 O\n0.016353 0.332366 0.649078 O\n0.969747 0.668960 0.385833 O\n0.483448 0.648933 0.332188 O\n",
"nsites": 18,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-O-V",
"density": 3.359325768459676,
"density_atomic": 0.07286548452735646,
"volume": 247.03054013511868,
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"formula_full": "V4 Cr2 O12",
"formula_reduced": "V2CrO6",
"formula_anonymous": "AB2C6",
"energy": -157.24194416,
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{
"id": "mp-1173776",
"created_at": "2022-09-04T14:41:55.254225Z",
"structure_string": "Na6 N6 O9\n1.0\n2.167388 6.128372 0.000000\n-2.167388 6.128372 0.000000\n0.000000 4.086906 11.533713\nNa N O\n6 6 9\ndirect\n0.936887 0.725483 0.594661 Na\n0.674264 0.297463 0.780510 Na\n0.268857 0.056158 0.928819 Na\n0.943842 0.731143 0.071181 Na\n0.702537 0.325736 0.219490 Na\n0.274517 0.063113 0.405339 Na\n0.371027 0.983046 0.656023 N\n0.735530 0.264470 0.000000 N\n0.043045 0.604534 0.814298 N\n0.016954 0.628973 0.343977 N\n0.395466 0.956955 0.185702 N\n0.728183 0.271817 0.500000 N\n0.347790 0.874230 0.759802 O\n0.100305 0.226046 0.611900 O\n0.442899 0.557101 0.000000 O\n0.806230 0.818912 0.883869 O\n0.125770 0.652210 0.240198 O\n0.773954 0.899695 0.388100 O\n0.181088 0.193770 0.116131 O\n0.517981 0.370330 0.589651 O\n0.629670 0.482019 0.410349 O\n",
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"updated_at": "2021-11-28T01:35:26.791000Z",
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{
"id": "mp-1175662",
"created_at": "2022-09-04T14:41:55.458149Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.722065 5.197931 0.000000\n-5.722065 5.197931 0.000000\n0.000000 1.935760 4.790639\nLi Mn Co O\n9 2 5 16\ndirect\n0.378340 0.132199 0.990791 Li\n0.867801 0.621660 0.009209 Li\n0.505052 0.003635 0.509692 Li\n0.996365 0.494948 0.490308 Li\n0.622295 0.868154 0.994469 Li\n0.131846 0.377705 0.005531 Li\n0.739118 0.741427 0.516034 Li\n0.258573 0.260882 0.483966 Li\n0.498432 0.501568 0.000000 Li\n0.999496 0.000504 0.000000 Mn\n0.254111 0.745889 0.000000 Mn\n0.125368 0.874632 0.500000 Co\n0.625769 0.374231 0.500000 Co\n0.745893 0.254107 0.000000 Co\n0.380223 0.619777 0.500000 Co\n0.872813 0.127187 0.500000 Co\n0.240050 0.989627 0.772064 O\n0.736422 0.472082 0.743727 O\n0.355743 0.853327 0.253049 O\n0.862261 0.370689 0.274237 O\n0.484614 0.753136 0.762385 O\n0.983194 0.239568 0.768700 O\n0.614419 0.609410 0.286865 O\n0.123833 0.114191 0.277998 O\n0.527918 0.263578 0.256273 O\n0.010373 0.759950 0.227936 O\n0.629311 0.137739 0.725763 O\n0.146673 0.644257 0.746951 O\n0.760432 0.016806 0.231300 O\n0.246864 0.515386 0.237615 O\n0.885809 0.876167 0.722002 O\n0.390590 0.385581 0.713135 O\n",
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],
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"volume": 284.97498430017635,
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 5
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{
"id": "mp-753170",
"created_at": "2022-09-04T14:41:56.519916Z",
"structure_string": "Li1 V1 P3 H1 O10\n1.0\n4.336009 4.704567 0.000000\n-4.336009 4.704567 0.000000\n0.000000 2.604933 5.791761\nLi V P H O\n1 1 3 1 10\ndirect\n0.994805 0.005195 0.500000 Li\n0.335614 0.664386 0.000000 V\n0.801009 0.555328 0.100405 P\n0.429603 0.570397 0.500000 P\n0.444672 0.198991 0.899595 P\n0.754979 0.245021 0.000000 H\n0.661661 0.667803 0.940938 O\n0.326694 0.981945 0.978783 O\n0.392424 0.720786 0.649296 O\n0.683746 0.595091 0.353066 O\n0.695205 0.187720 0.859310 O\n0.812280 0.304795 0.140690 O\n0.404909 0.316254 0.646934 O\n0.279214 0.607576 0.350704 O\n0.018055 0.673306 0.021217 O\n0.332197 0.338339 0.059062 O\n",
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"P",
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"volume": 236.29278483490538,
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"formula_full": "Li1 V1 P3 H1 O10",
"formula_reduced": "LiVP3HO10",
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{
"id": "mp-779228",
"created_at": "2022-09-04T14:41:56.541698Z",
"structure_string": "Li4 Mn1 Ni5 O12\n1.0\n4.244578 2.524246 0.000000\n-4.244578 2.524246 0.000000\n0.000000 0.332067 9.999655\nLi Mn Ni O\n4 1 5 12\ndirect\n0.858317 0.351296 0.249746 Li\n0.648704 0.141683 0.750254 Li\n0.349529 0.857399 0.249020 Li\n0.142601 0.650471 0.750980 Li\n0.999846 0.000154 0.000000 Mn\n0.837346 0.162654 0.500000 Ni\n0.334612 0.665388 0.000000 Ni\n0.664855 0.335145 0.000000 Ni\n0.166685 0.833315 0.500000 Ni\n0.498948 0.501052 0.500000 Ni\n0.975494 0.316233 0.892092 O\n0.683767 0.024506 0.107908 O\n0.846376 0.493547 0.601668 O\n0.464048 0.823500 0.608255 O\n0.506453 0.153624 0.398332 O\n0.837650 0.832485 0.405928 O\n0.176500 0.535952 0.391745 O\n0.315960 0.976560 0.892507 O\n0.673118 0.673562 0.903241 O\n0.023440 0.684040 0.107493 O\n0.326438 0.326882 0.096759 O\n0.167515 0.162350 0.594072 O\n",
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{
"id": "mp-541335",
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"structure_string": "As4 Se4 S2 N4 F24\n1.0\n4.400051 6.432235 0.000000\n-4.400051 6.432235 0.000000\n0.000000 0.674215 10.921979\nAs Se S N F\n4 4 2 4 24\ndirect\n0.343993 0.383992 0.747861 As\n0.616008 0.656007 0.252139 As\n0.997873 0.002127 0.500000 As\n0.004937 0.995063 0.000000 As\n0.568211 0.845394 0.857358 Se\n0.154606 0.431789 0.142642 Se\n0.575905 0.861958 0.638663 Se\n0.138042 0.424095 0.361337 Se\n0.795021 0.501905 0.743810 S\n0.498095 0.204979 0.256190 S\n0.715237 0.615628 0.863421 N\n0.384372 0.284763 0.136579 N\n0.723798 0.633653 0.627068 N\n0.366347 0.276202 0.372932 N\n0.165620 0.447270 0.863098 F\n0.552730 0.834380 0.136902 F\n0.519933 0.312178 0.632987 F\n0.687822 0.480067 0.367013 F\n0.358040 0.604818 0.743635 F\n0.395182 0.641960 0.256365 F\n0.174254 0.452579 0.634925 F\n0.547421 0.825746 0.365075 F\n0.334206 0.154719 0.751203 F\n0.845281 0.665794 0.248797 F\n0.509499 0.306426 0.862366 F\n0.693574 0.490501 0.137634 F\n0.940006 0.225773 0.557256 F\n0.774227 0.059994 0.442744 F\n0.221553 0.939036 0.559383 F\n0.060964 0.778447 0.440617 F\n0.917581 0.924770 0.639844 F\n0.075230 0.082419 0.360156 F\n0.920649 0.189813 0.900954 F\n0.810187 0.079351 0.099046 F\n0.892306 0.876695 0.917066 F\n0.123305 0.107694 0.082934 F\n0.204435 0.903871 0.901796 F\n0.096129 0.795565 0.098204 F\n",
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"elements": [
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],
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"density_atomic": 0.06146567433504079,
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"volume_molar": 9.797567219671508,
"formula_full": "As4 Se4 S2 N4 F24",
"formula_reduced": "As2Se2S(NF6)2",
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},
{
"id": "mp-625565",
"created_at": "2022-09-04T14:41:56.825707Z",
"structure_string": "Cd1 H2 O2\n1.0\n1.769191 3.118819 0.000000\n-1.769191 3.118819 0.000000\n0.000000 0.428586 4.786074\nCd H O\n1 2 2\ndirect\n0.977178 0.022822 0.000000 Cd\n0.589104 0.825925 0.569520 H\n0.174075 0.410896 0.430480 H\n0.665145 0.721642 0.764051 O\n0.278358 0.334855 0.235949 O\n",
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"elements": [
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"density": 4.603541360963273,
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"volume": 52.817069062369185,
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"formula_full": "Cd1 H2 O2",
"formula_reduced": "Cd(HO)2",
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"formation_energy": null,
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"energy_uncorrected": -22.72687163,
"band_gap": 1.7893,
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"total_magnetization": 9.8e-06,
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"updated_at": "2021-11-28T01:35:33.994000Z",
"spacegroup": 5
},
{
"id": "mp-1221372",
"created_at": "2022-09-04T14:41:57.180701Z",
"structure_string": "Mn12 B2 P2\n1.0\n0.000000 0.000000 4.296100\n-4.452168 4.353769 2.148050\n-4.371094 -4.272842 -2.148050\nMn B P\n12 2 2\ndirect\n0.656674 0.382938 0.680731 Mn\n0.358880 0.617062 0.319269 Mn\n0.015902 0.335622 0.389196 Mn\n0.962329 0.664378 0.610804 Mn\n0.067024 0.397454 0.040703 Mn\n0.423774 0.602546 0.959297 Mn\n0.973324 0.943021 0.383976 Mn\n0.532368 0.056979 0.616024 Mn\n0.682609 0.189969 0.017441 Mn\n0.855137 0.810031 0.982559 Mn\n0.344728 0.961246 0.184049 Mn\n0.121925 0.038754 0.815951 Mn\n0.215753 0.336494 0.751690 B\n0.800556 0.663506 0.248310 B\n0.536573 0.250259 0.334387 P\n0.452445 0.749741 0.665613 P\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "B-Mn-P",
"density": 7.545011261806075,
"density_atomic": 0.09786866039764268,
"volume": 163.48440792988913,
"volume_molar": 6.153288228869079,
"formula_full": "Mn12 B2 P2",
"formula_reduced": "Mn6BP",
"formula_anonymous": "ABC6",
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"updated_at": "2021-11-28T01:35:33.132000Z",
"spacegroup": 5
},
{
"id": "mp-753710",
"created_at": "2022-09-04T14:41:57.355754Z",
"structure_string": "Li5 Fe1 Si2 O8\n1.0\n3.739494 3.679939 0.000000\n-3.739494 3.679939 0.000000\n0.000000 0.035942 6.297187\nLi Fe Si O\n5 1 2 8\ndirect\n0.801740 0.827640 0.262739 Li\n0.329667 0.670333 0.500000 Li\n0.681439 0.318561 0.500000 Li\n0.697138 0.302862 0.000000 Li\n0.172360 0.198260 0.737261 Li\n0.323537 0.676463 0.000000 Fe\n0.818897 0.831819 0.743140 Si\n0.168181 0.181103 0.256860 Si\n0.685923 0.703211 0.965126 O\n0.699315 0.696458 0.535058 O\n0.860155 0.199204 0.249827 O\n0.224661 0.864141 0.240236 O\n0.800796 0.139845 0.750173 O\n0.135859 0.775339 0.759764 O\n0.303542 0.300685 0.464942 O\n0.296789 0.314077 0.034874 O\n",
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"elements": [
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],
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"density": 2.6321056755367103,
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"volume": 173.31256361311569,
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"formula_full": "Li5 Fe1 Si2 O8",
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"updated_at": "2021-11-28T01:35:33.191000Z",
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]
}