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{
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{
"id": "mp-776174",
"created_at": "2022-09-04T14:48:00.650761Z",
"structure_string": "Li4 Ti3 V3 Co2 O16\n1.0\n5.851164 0.005081 0.022331\n-2.921199 5.071550 -0.005399\n0.036240 0.010890 9.721182\nLi Ti V Co O\n4 3 3 2 16\ndirect\n0.334876 0.667830 0.889727 Li\n0.998266 0.998889 0.997109 Li\n0.994207 0.998083 0.499534 Li\n0.667701 0.333862 0.391110 Li\n0.171604 0.832844 0.215723 Ti\n0.171691 0.338901 0.215878 Ti\n0.337931 0.166483 0.719639 Ti\n0.664344 0.832456 0.212509 V\n0.836290 0.181111 0.712387 V\n0.832869 0.655456 0.713172 V\n0.339693 0.669160 0.491515 Co\n0.669606 0.333665 0.992193 Co\n0.150869 0.830372 0.605979 O\n0.034194 0.517503 0.331281 O\n0.333466 0.666262 0.102725 O\n0.998595 0.999848 0.315917 O\n0.994206 0.997696 0.812800 O\n0.154012 0.321742 0.605848 O\n0.485879 0.963809 0.331297 O\n0.486565 0.522830 0.331068 O\n0.321549 0.160435 0.104558 O\n0.679124 0.842328 0.610338 O\n0.525236 0.487706 0.829114 O\n0.520588 0.036691 0.830047 O\n0.664360 0.332024 0.601010 O\n0.832944 0.678628 0.105960 O\n0.966806 0.480473 0.833139 O\n0.832530 0.153212 0.106262 O\n",
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"formula_full": "Li4 Ti3 V3 Co2 O16",
"formula_reduced": "Li4Ti3V3(CoO8)2",
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"updated_at": "2021-11-28T01:38:28.466000Z",
"spacegroup": 8
},
{
"id": "mp-757843",
"created_at": "2022-09-04T14:47:45.274485Z",
"structure_string": "Li4 Co3 Ni3 Sb2 O16\n1.0\n2.884777 5.051130 0.000000\n-2.884777 5.051130 0.000000\n0.000000 0.299687 9.496883\nLi Co Ni Sb O\n4 3 3 2 16\ndirect\n0.662962 0.662962 0.099178 Li\n0.002753 0.002753 0.008210 Li\n0.004581 0.004581 0.508043 Li\n0.333381 0.333381 0.599511 Li\n0.340021 0.831049 0.785163 Co\n0.831049 0.340021 0.785163 Co\n0.171276 0.171276 0.284824 Co\n0.831907 0.831907 0.786790 Ni\n0.168702 0.663423 0.285898 Ni\n0.663423 0.168702 0.285898 Ni\n0.669273 0.669273 0.513664 Sb\n0.329593 0.329593 0.010467 Sb\n0.332145 0.843354 0.405245 O\n0.516634 0.516634 0.666369 O\n0.666128 0.666128 0.883064 O\n0.001421 0.001421 0.696940 O\n0.006411 0.006411 0.197921 O\n0.843354 0.332145 0.405245 O\n0.509121 0.969607 0.658263 O\n0.969607 0.509121 0.658263 O\n0.162202 0.162202 0.896954 O\n0.843960 0.843960 0.405921 O\n0.025318 0.472945 0.156093 O\n0.472945 0.025318 0.156093 O\n0.328798 0.328798 0.381809 O\n0.164500 0.678149 0.906376 O\n0.480021 0.480021 0.158609 O\n0.678149 0.164500 0.906376 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.280754523097186,
"density_atomic": 0.10116869669902884,
"volume": 276.76545130652835,
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"formula_full": "Li4 Co3 Ni3 Sb2 O16",
"formula_reduced": "Li4Co3Ni3(SbO8)2",
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"energy": -178.45820974,
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"updated_at": "2021-11-28T01:38:24.007000Z",
"spacegroup": 8
},
{
"id": "mp-885334",
"created_at": "2022-09-04T14:48:00.089475Z",
"structure_string": "Li4 Ti2 Mn3 V3 O16\n1.0\n2.937422 5.258880 0.000000\n-2.937422 5.258880 0.000000\n0.000000 0.510197 9.611647\nLi Ti Mn V O\n4 2 3 3 16\ndirect\n0.346136 0.346136 0.898554 Li\n0.998517 0.998517 0.991590 Li\n0.998443 0.998443 0.492203 Li\n0.665296 0.665296 0.400348 Li\n0.341164 0.341164 0.498097 Ti\n0.664630 0.664630 0.997330 Ti\n0.166962 0.166962 0.206429 Mn\n0.344111 0.840488 0.711798 Mn\n0.840488 0.344111 0.711798 Mn\n0.155972 0.652468 0.220147 V\n0.652468 0.155972 0.220147 V\n0.829772 0.829772 0.726562 V\n0.157818 0.656689 0.593442 O\n0.478334 0.478334 0.340140 O\n0.351406 0.351406 0.102665 O\n0.989067 0.989067 0.304880 O\n0.001506 0.001506 0.801882 O\n0.656689 0.157818 0.593442 O\n0.035727 0.500820 0.344228 O\n0.500820 0.035727 0.344228 O\n0.830873 0.830873 0.103315 O\n0.164480 0.164480 0.589870 O\n0.536634 0.970559 0.849660 O\n0.970559 0.536634 0.849660 O\n0.675846 0.675846 0.608900 O\n0.334072 0.817341 0.087875 O\n0.530210 0.530210 0.836559 O\n0.817341 0.334072 0.087875 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
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],
"chemical_system": "Li-Mn-O-Ti-V",
"density": 3.8982852124396503,
"density_atomic": 0.09429108194626606,
"volume": 296.95279152652466,
"volume_molar": 6.38675539159881,
"formula_full": "Li4 Ti2 Mn3 V3 O16",
"formula_reduced": "Li4Ti2Mn3V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -228.53977281,
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"updated_at": "2021-11-28T01:38:26.722000Z",
"spacegroup": 8
},
{
"id": "mp-752993",
"created_at": "2022-09-04T14:47:46.059170Z",
"structure_string": "Li4 Mn3 Ni3 W2 O16\n1.0\n2.939616 5.201700 0.000000\n-2.939616 5.201700 0.000000\n0.000000 0.224057 9.749394\nLi Mn Ni W O\n4 3 3 2 16\ndirect\n0.659718 0.659718 0.904905 Li\n0.997686 0.997686 0.985999 Li\n0.006972 0.006972 0.491797 Li\n0.339625 0.339625 0.413278 Li\n0.835090 0.339578 0.215459 Mn\n0.339578 0.835090 0.215459 Mn\n0.172486 0.172486 0.715172 Mn\n0.829041 0.829041 0.213342 Ni\n0.663574 0.171516 0.712264 Ni\n0.171516 0.663574 0.712264 Ni\n0.683206 0.683206 0.489273 W\n0.333568 0.333568 0.982008 W\n0.842662 0.348243 0.591866 O\n0.524804 0.524804 0.345290 O\n0.659424 0.659424 0.111715 O\n0.001822 0.001822 0.302727 O\n0.007406 0.007406 0.800756 O\n0.348243 0.842662 0.591866 O\n0.970255 0.522603 0.357368 O\n0.522603 0.970255 0.357368 O\n0.161772 0.161772 0.092073 O\n0.833847 0.833847 0.589569 O\n0.459540 0.032836 0.843454 O\n0.032836 0.459540 0.843454 O\n0.328939 0.328939 0.613043 O\n0.645462 0.152702 0.080754 O\n0.475589 0.475589 0.854617 O\n0.152702 0.645462 0.080754 O\n",
"nsites": 28,
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"elements": [
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"Mn",
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"W",
"O"
],
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"density": 5.526639588290593,
"density_atomic": 0.09391057724185811,
"volume": 298.1559779777368,
"volume_molar": 6.412633099347826,
"formula_full": "Li4 Mn3 Ni3 W2 O16",
"formula_reduced": "Li4Mn3Ni3(WO8)2",
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"energy": -212.86169914,
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"updated_at": "2021-11-28T01:38:19.310000Z",
"spacegroup": 8
},
{
"id": "mp-774657",
"created_at": "2022-09-04T14:41:48.815226Z",
"structure_string": "Li4 Co3 Ni2 Sn3 O16\n1.0\n5.961406 -0.013039 0.018365\n-2.991916 5.181844 0.001498\n0.028310 0.018918 9.643208\nLi Co Ni Sn O\n4 3 2 3 16\ndirect\n0.357763 0.678937 0.885153 Li\n0.950010 0.975100 0.992291 Li\n0.964112 0.982026 0.502821 Li\n0.684932 0.342522 0.398967 Li\n0.664127 0.832061 0.215070 Co\n0.835472 0.664114 0.714158 Co\n0.835518 0.171469 0.714180 Co\n0.329008 0.664506 0.494294 Ni\n0.667075 0.333591 0.986993 Ni\n0.172487 0.833864 0.214199 Sn\n0.172403 0.338638 0.214179 Sn\n0.341139 0.170615 0.714996 Sn\n0.139554 0.827443 0.601837 O\n0.038021 0.518782 0.344476 O\n0.357276 0.678906 0.098229 O\n0.976562 0.988069 0.318717 O\n0.980407 0.990146 0.810346 O\n0.139328 0.312034 0.601814 O\n0.505351 0.969191 0.334450 O\n0.505251 0.535899 0.334413 O\n0.311433 0.155968 0.087649 O\n0.677935 0.838900 0.619583 O\n0.544575 0.502202 0.834451 O\n0.544748 0.042383 0.834371 O\n0.692580 0.346400 0.607993 O\n0.821701 0.678820 0.106151 O\n0.969434 0.484645 0.820025 O\n0.821798 0.143069 0.106032 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.213493319060369,
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"volume_molar": 6.398717489359167,
"formula_full": "Li4 Co3 Ni2 Sn3 O16",
"formula_reduced": "Li4Co3Ni2Sn3O16",
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"energy": -178.83641919,
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"spacegroup": 8
},
{
"id": "mp-770621",
"created_at": "2022-09-04T14:41:54.993940Z",
"structure_string": "Li4 Ti3 V2 Co3 O16\n1.0\n5.912916 0.000000 0.000000\n-2.937201 5.132191 0.000000\n-0.061630 -0.076527 9.631366\nLi Ti V Co O\n4 3 2 3 16\ndirect\n0.328184 0.661840 0.095662 Li\n0.007419 0.011239 0.013874 Li\n0.995849 0.998828 0.505939 Li\n0.674156 0.332061 0.596494 Li\n0.168961 0.818280 0.776483 Ti\n0.654796 0.799460 0.779335 Ti\n0.813634 0.634601 0.263854 Ti\n0.331444 0.663608 0.498760 V\n0.650126 0.293044 0.011441 V\n0.174902 0.346047 0.793279 Co\n0.337887 0.168460 0.292788 Co\n0.824960 0.170817 0.290703 Co\n0.173112 0.818970 0.415312 O\n0.483521 0.965260 0.666248 O\n0.343210 0.680494 0.894012 O\n0.002733 0.008155 0.699006 O\n0.989136 0.986976 0.205992 O\n0.639605 0.816520 0.415296 O\n0.045759 0.534087 0.657495 O\n0.496323 0.531459 0.654198 O\n0.837153 0.671917 0.897722 O\n0.171818 0.350970 0.419517 O\n0.521423 0.490314 0.150323 O\n0.960217 0.495255 0.143363 O\n0.677103 0.353333 0.393740 O\n0.350961 0.178338 0.909163 O\n0.522238 0.044459 0.140881 O\n0.823068 0.175208 0.911279 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.01129643400186,
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"formula_full": "Li4 Ti3 V2 Co3 O16",
"formula_reduced": "Li4Ti3V2Co3O16",
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"spacegroup": 1
},
{
"id": "mp-754733",
"created_at": "2022-09-04T14:41:52.493460Z",
"structure_string": "Li4 Ti2 Cr3 Co3 O16\n1.0\n5.749030 -0.015638 0.033792\n-2.888040 5.007335 -0.000941\n0.054127 0.029489 9.407728\nLi Ti Cr Co O\n4 2 3 3 16\ndirect\n0.332864 0.666838 0.889000 Li\n0.992383 0.993624 0.993962 Li\n0.997452 0.998326 0.497081 Li\n0.664890 0.333690 0.394415 Li\n0.338878 0.668663 0.500250 Ti\n0.670846 0.335642 0.995295 Ti\n0.172611 0.825385 0.218568 Cr\n0.172572 0.347640 0.217040 Cr\n0.349500 0.174414 0.720394 Cr\n0.657649 0.829682 0.213473 Co\n0.826586 0.657368 0.714284 Co\n0.826513 0.169326 0.714036 Co\n0.167537 0.834328 0.599056 O\n0.034761 0.517137 0.341201 O\n0.336341 0.669298 0.103694 O\n0.996895 0.999061 0.303951 O\n0.995838 0.998006 0.801374 O\n0.167100 0.331981 0.598770 O\n0.482681 0.961543 0.338513 O\n0.482845 0.522971 0.337436 O\n0.330768 0.165308 0.097204 O\n0.666971 0.833358 0.601640 O\n0.519775 0.481963 0.840070 O\n0.519878 0.037236 0.840219 O\n0.671259 0.336156 0.607087 O\n0.833160 0.665665 0.099408 O\n0.956475 0.477995 0.832115 O\n0.834973 0.167694 0.098305 O\n",
"nsites": 28,
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],
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"formula_full": "Li4 Ti2 Cr3 Co3 O16",
"formula_reduced": "Li4Ti2Cr3Co3O16",
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"spacegroup": 8
},
{
"id": "mp-771254",
"created_at": "2022-09-04T14:40:18.109434Z",
"structure_string": "Li4 Mn3 V2 Ni3 O16\n1.0\n2.897790 5.109340 0.000000\n-2.897790 5.109340 0.000000\n0.000000 0.228351 9.413978\nLi Mn V Ni O\n4 3 2 3 16\ndirect\n0.668029 0.668029 0.098122 Li\n0.999196 0.999196 0.011321 Li\n0.002939 0.002939 0.503484 Li\n0.329013 0.329013 0.598392 Li\n0.340408 0.834968 0.783525 Mn\n0.834968 0.340408 0.783525 Mn\n0.175775 0.175775 0.280477 Mn\n0.669403 0.669403 0.502016 V\n0.354932 0.354932 0.018312 V\n0.828519 0.828519 0.786250 Ni\n0.168834 0.661737 0.289193 Ni\n0.661737 0.168834 0.289193 Ni\n0.351911 0.835106 0.408554 O\n0.519072 0.519072 0.664414 O\n0.656128 0.656128 0.891763 O\n0.005064 0.005064 0.692870 O\n0.009309 0.009309 0.199305 O\n0.835106 0.351911 0.408554 O\n0.504793 0.955610 0.655091 O\n0.955610 0.504793 0.655091 O\n0.159985 0.159985 0.895199 O\n0.825760 0.825760 0.422359 O\n0.041590 0.467377 0.151171 O\n0.467377 0.041590 0.151171 O\n0.325423 0.325423 0.392050 O\n0.175963 0.654333 0.909601 O\n0.481549 0.481549 0.141434 O\n0.654333 0.175963 0.909601 O\n",
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"O"
],
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"formula_full": "Li4 Mn3 V2 Ni3 O16",
"formula_reduced": "Li4Mn3V2Ni3O16",
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},
{
"id": "mp-760932",
"created_at": "2022-09-04T14:40:14.492064Z",
"structure_string": "Li4 Ti3 Fe3 Cu2 O16\n1.0\n5.937354 0.023466 -0.043623\n-2.947902 5.111472 0.000716\n-0.069941 -0.038349 9.614136\nLi Ti Fe Cu O\n4 3 3 2 16\ndirect\n0.335065 0.665924 0.896016 Li\n0.993478 0.998056 0.994941 Li\n0.997590 0.998224 0.495739 Li\n0.665402 0.332529 0.397031 Li\n0.168414 0.829321 0.211432 Ti\n0.173117 0.338236 0.213137 Ti\n0.342083 0.173519 0.713585 Ti\n0.663004 0.833130 0.212252 Fe\n0.833129 0.662955 0.711462 Fe\n0.830558 0.168455 0.711888 Fe\n0.334321 0.669398 0.486696 Cu\n0.674493 0.335729 0.985472 Cu\n0.171271 0.839663 0.602831 O\n0.037299 0.519938 0.334515 O\n0.321618 0.660109 0.102269 O\n0.005008 0.002777 0.310285 O\n0.005451 0.001099 0.808899 O\n0.169864 0.332184 0.603211 O\n0.472876 0.958358 0.339755 O\n0.473151 0.515742 0.340110 O\n0.326835 0.163009 0.106321 O\n0.671984 0.836437 0.601737 O\n0.516441 0.474049 0.841456 O\n0.518489 0.040771 0.840337 O\n0.657695 0.330383 0.601908 O\n0.840759 0.672312 0.102614 O\n0.960145 0.479238 0.838493 O\n0.840462 0.168757 0.103446 O\n",
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"formula_full": "Li4 Ti3 Fe3 Cu2 O16",
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"spacegroup": 8
},
{
"id": "mp-758259",
"created_at": "2022-09-04T14:40:18.180395Z",
"structure_string": "Li4 Ti3 Cu3 Te2 O16\n1.0\n2.986454 5.188037 0.000000\n-2.986454 5.188037 0.000000\n0.000000 0.301448 10.122613\nLi Ti Cu Te O\n4 3 3 2 16\ndirect\n0.658045 0.658045 0.088860 Li\n0.992168 0.992168 0.019130 Li\n0.007474 0.007474 0.511581 Li\n0.335275 0.335275 0.592155 Li\n0.352721 0.834121 0.781591 Ti\n0.834121 0.352721 0.781591 Ti\n0.173353 0.173353 0.278272 Ti\n0.831023 0.831023 0.797615 Cu\n0.168966 0.660981 0.284298 Cu\n0.660981 0.168966 0.284298 Cu\n0.676357 0.676357 0.496851 Te\n0.332303 0.332303 0.014959 Te\n0.346954 0.861397 0.392729 O\n0.511836 0.511836 0.686628 O\n0.659157 0.659157 0.891721 O\n0.001208 0.001208 0.708130 O\n0.000886 0.000886 0.203752 O\n0.861397 0.346954 0.392729 O\n0.480155 0.980761 0.666401 O\n0.980761 0.480155 0.666401 O\n0.168483 0.168483 0.905421 O\n0.846600 0.846600 0.412336 O\n0.029691 0.454188 0.136739 O\n0.454188 0.029691 0.136739 O\n0.330877 0.330877 0.380754 O\n0.173772 0.660090 0.917669 O\n0.471507 0.471507 0.145134 O\n0.660090 0.173772 0.917669 O\n",
"nsites": 28,
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],
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"density": 4.622511691057887,
"density_atomic": 0.08926403362435571,
"volume": 313.6761679158558,
"volume_molar": 6.746435843738141,
"formula_full": "Li4 Ti3 Cu3 Te2 O16",
"formula_reduced": "Li4Ti3Cu3(TeO8)2",
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"updated_at": "2021-11-28T01:34:52.276000Z",
"spacegroup": 8
},
{
"id": "mp-770636",
"created_at": "2022-09-04T14:40:17.192363Z",
"structure_string": "Li4 V3 Co2 Sb3 O16\n1.0\n3.069301 5.323562 0.000000\n-3.069301 5.323562 0.000000\n0.000000 0.088153 9.860484\nLi V Co Sb O\n4 3 2 3 16\ndirect\n0.664543 0.664543 0.122479 Li\n0.989335 0.989335 0.009137 Li\n0.992310 0.992310 0.495173 Li\n0.327941 0.327941 0.600007 Li\n0.831883 0.831883 0.783797 V\n0.171175 0.663467 0.285186 V\n0.663467 0.171175 0.285186 V\n0.672925 0.672925 0.480869 Co\n0.343601 0.343601 0.023878 Co\n0.337808 0.831779 0.784734 Sb\n0.831779 0.337808 0.784734 Sb\n0.170650 0.170650 0.284867 Sb\n0.315321 0.846238 0.398408 O\n0.514087 0.514087 0.669268 O\n0.661841 0.661841 0.898685 O\n0.004932 0.004932 0.679417 O\n0.007032 0.007032 0.186846 O\n0.846238 0.315321 0.398408 O\n0.512749 0.968543 0.674711 O\n0.968543 0.512749 0.674711 O\n0.154244 0.154244 0.898015 O\n0.842831 0.842831 0.392161 O\n0.034744 0.481021 0.165037 O\n0.481021 0.034744 0.165037 O\n0.327714 0.327714 0.398029 O\n0.158991 0.690306 0.892364 O\n0.482601 0.482601 0.168676 O\n0.690306 0.158991 0.892364 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Co-Li-O-Sb-V",
"density": 4.7395509951044135,
"density_atomic": 0.08689364307512434,
"volume": 322.2330081821113,
"volume_molar": 6.930473331396093,
"formula_full": "Li4 V3 Co2 Sb3 O16",
"formula_reduced": "Li4V3Co2Sb3O16",
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"energy": -199.16792124,
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"updated_at": "2021-11-28T01:34:51.743000Z",
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},
{
"id": "mp-756380",
"created_at": "2022-09-04T14:46:06.223011Z",
"structure_string": "Li4 Ti3 Mn3 W2 O16\n1.0\n6.150696 0.046955 -0.083196\n-3.034336 5.223477 -0.012796\n-0.132154 -0.099839 9.867682\nLi Ti Mn W O\n4 3 3 2 16\ndirect\n0.312830 0.657896 0.905222 Li\n0.003343 0.001160 0.984455 Li\n0.021066 0.009713 0.492603 Li\n0.651328 0.328174 0.408995 Li\n0.191867 0.852479 0.214665 Ti\n0.169145 0.341149 0.217253 Ti\n0.344862 0.189796 0.722925 Ti\n0.664519 0.825300 0.208334 Mn\n0.845702 0.659974 0.705114 Mn\n0.831942 0.170063 0.708328 Mn\n0.340965 0.671232 0.488678 W\n0.681315 0.340133 0.984692 W\n0.181448 0.835150 0.589143 O\n0.046756 0.521032 0.340349 O\n0.301080 0.651053 0.109876 O\n0.020404 0.006683 0.304045 O\n0.023828 0.010227 0.799004 O\n0.187654 0.347234 0.596249 O\n0.459076 0.962718 0.341312 O\n0.454003 0.494540 0.340468 O\n0.332269 0.163125 0.107235 O\n0.664254 0.829736 0.569054 O\n0.497810 0.467725 0.853818 O\n0.496444 0.040530 0.860493 O\n0.623148 0.308162 0.608061 O\n0.846274 0.658142 0.093262 O\n0.953962 0.474910 0.857490 O\n0.852711 0.182261 0.096716 O\n",
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],
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"density": 5.006737149425153,
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"volume": 318.3445831799545,
"volume_molar": 6.846842464618622,
"formula_full": "Li4 Ti3 Mn3 W2 O16",
"formula_reduced": "Li4Ti3Mn3(WO8)2",
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"updated_at": "2021-11-28T01:37:26.204000Z",
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}
]
}