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{
"id": "mp-1662321",
"created_at": "2022-09-04T14:40:27.880789Z",
"structure_string": "Li4 Ti2 V6 O16\n1.0\n-2.966735 5.121416 0.017583\n-0.001505 0.032038 9.570027\n5.966748 0.019105 -0.000893\nLi Ti V O\n4 2 6 16\ndirect\n0.660864 0.894175 0.334134 Li\n0.328203 0.394782 0.667149 Li\n0.012869 0.994170 0.005069 Li\n0.006533 0.494342 0.994492 Li\n0.680747 0.495665 0.341780 Ti\n0.333605 0.996356 0.663976 Ti\n0.827685 0.212141 0.169702 V\n0.656159 0.713513 0.827441 V\n0.174256 0.711064 0.342441 V\n0.826354 0.212586 0.656214 V\n0.177215 0.722640 0.829379 V\n0.348614 0.222409 0.173461 V\n0.837630 0.594395 0.168893 O\n0.666069 0.094997 0.832150 O\n0.514753 0.342442 0.038347 O\n0.469430 0.846469 0.960660 O\n0.636578 0.101173 0.317827 O\n0.327306 0.602602 0.687689 O\n0.018488 0.307053 0.007979 O\n0.002887 0.806353 0.986876 O\n0.340579 0.598229 0.172719 O\n0.165566 0.096801 0.824850 O\n0.956560 0.341784 0.476814 O\n0.480317 0.841690 0.525052 O\n0.512792 0.342828 0.475272 O\n0.037960 0.840699 0.522863 O\n0.165725 0.093889 0.337596 O\n0.834554 0.592594 0.659175 O\n",
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{
"id": "mp-771644",
"created_at": "2022-09-04T14:40:27.879806Z",
"structure_string": "Li3 Cu5 O8\n1.0\n5.095144 -2.940064 0.000000\n5.095144 2.940064 0.000000\n3.398631 0.000000 4.801435\nLi Cu O\n3 5 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.743163 0.743163 0.743163 O\n0.738204 0.250024 0.250024 O\n0.250024 0.250024 0.738204 O\n0.250024 0.738204 0.250024 O\n0.749976 0.261796 0.749976 O\n0.749976 0.749976 0.261796 O\n0.261796 0.749976 0.749976 O\n0.256837 0.256837 0.256837 O\n",
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"density": 5.385565585540728,
"density_atomic": 0.11122583789472079,
"volume": 143.85146745439283,
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"formula_full": "Li3 Cu5 O8",
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"formula_anonymous": "A3B5C8",
"energy": -85.72498719,
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{
"id": "mp-1175386",
"created_at": "2022-09-04T14:40:27.873629Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.044997 0.000000 0.000000\n-0.865684 6.532463 0.000000\n-0.975090 -1.350698 8.739718\nLi Mn Co O\n9 2 5 16\ndirect\n0.743540 0.936490 0.060801 Li\n0.745228 0.437474 0.566023 Li\n0.257976 0.809197 0.182991 Li\n0.250383 0.312433 0.690328 Li\n0.749617 0.687567 0.309672 Li\n0.742024 0.190803 0.817009 Li\n0.256460 0.063510 0.939199 Li\n0.254772 0.562526 0.433977 Li\n0.500000 0.500000 0.000000 Li\n0.002497 0.624262 0.879514 Mn\n0.997503 0.375738 0.120486 Mn\n0.005207 0.129625 0.374176 Co\n0.500000 0.000000 0.500000 Co\n0.994793 0.870375 0.625824 Co\n0.499465 0.257566 0.242368 Co\n0.500535 0.742434 0.757632 Co\n0.879655 0.885483 0.842673 O\n0.879861 0.402103 0.324510 O\n0.354612 0.772736 0.958881 O\n0.359856 0.270105 0.462972 O\n0.895540 0.639188 0.083063 O\n0.860539 0.142235 0.585277 O\n0.366183 0.010030 0.712739 O\n0.360977 0.507719 0.215414 O\n0.633817 0.989970 0.287261 O\n0.639023 0.492281 0.784586 O\n0.139461 0.857765 0.414723 O\n0.104460 0.360812 0.916937 O\n0.640144 0.729895 0.537028 O\n0.645388 0.227264 0.041119 O\n0.120345 0.114517 0.157327 O\n0.120139 0.597897 0.675490 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 2
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{
"id": "mp-1026981",
"created_at": "2022-09-04T14:40:27.872494Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n1.728053 -2.993076 0.000000\n1.728053 2.993076 0.000000\n0.000000 0.000000 39.337744\nTe Mo W S\n6 2 2 2\ndirect\n0.000000 0.000000 0.328941 Te\n0.000000 0.000000 0.704563 Te\n0.333333 0.666667 0.422448 Te\n0.333333 0.666667 0.516855 Te\n0.000000 0.000000 0.234484 Te\n0.000000 0.000000 0.610608 Te\n0.000000 0.000000 0.093960 Mo\n0.333333 0.666667 0.657603 Mo\n0.000000 0.000000 0.469656 W\n0.333333 0.666667 0.281718 W\n0.333333 0.666667 0.056111 S\n0.333333 0.666667 0.131801 S\n",
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"volume": 406.92488391453094,
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"formula_full": "Te6 Mo2 W2 S2",
"formula_reduced": "Te3MoWS",
"formula_anonymous": "ABCD3",
"energy": -81.45745146,
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"updated_at": "2021-11-28T01:34:56.592000Z",
"spacegroup": 156
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{
"id": "mp-1048126",
"created_at": "2022-09-04T14:40:27.871596Z",
"structure_string": "Ca2 P8 W6 O28\n1.0\n7.368710 0.000000 0.000000\n0.000000 8.065503 0.000000\n0.000000 1.953937 9.929758\nCa P W O\n2 8 6 28\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.905002 0.428478 0.683298 P\n0.405002 0.571522 0.816702 P\n0.094998 0.571522 0.316702 P\n0.594998 0.428478 0.183298 P\n0.182362 0.157680 0.677509 P\n0.682362 0.842320 0.822491 P\n0.817638 0.842320 0.322491 P\n0.317638 0.157680 0.177509 P\n0.150898 0.811764 0.548751 W\n0.650898 0.188236 0.951249 W\n0.849102 0.188236 0.451249 W\n0.349102 0.811764 0.048751 W\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.367775 0.188778 0.606891 O\n0.867775 0.811222 0.893109 O\n0.632225 0.811222 0.393109 O\n0.132225 0.188778 0.106891 O\n0.353117 0.640246 0.668039 O\n0.853117 0.359754 0.831961 O\n0.646883 0.359754 0.331961 O\n0.146883 0.640246 0.168039 O\n0.769962 0.368592 0.584719 O\n0.269962 0.631408 0.915281 O\n0.230038 0.631408 0.415281 O\n0.730038 0.368592 0.084719 O\n0.098209 0.346227 0.655229 O\n0.598209 0.653773 0.844771 O\n0.901791 0.653773 0.344771 O\n0.401791 0.346227 0.155229 O\n0.564523 0.616310 0.157825 O\n0.064523 0.383690 0.342175 O\n0.435477 0.383690 0.842175 O\n0.935477 0.616310 0.657825 O\n0.821431 0.917125 0.173877 O\n0.321431 0.082875 0.326123 O\n0.178569 0.082875 0.826123 O\n0.678569 0.917125 0.673877 O\n0.448156 0.055408 0.100551 O\n0.948156 0.944592 0.399449 O\n0.551844 0.944592 0.899449 O\n0.051844 0.055408 0.600551 O\n",
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{
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"created_at": "2022-09-04T14:40:27.870398Z",
"structure_string": "Eu1 Mg1\n1.0\n4.106210 0.000000 0.000000\n0.000000 4.106210 0.000000\n0.000000 0.000000 4.106210\nEu Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Mg\n",
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{
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"structure_string": "Ho6 Se8 O24 F2\n1.0\n5.217494 -9.036964 0.000000\n5.217494 9.036964 0.000000\n0.000000 0.000000 6.844932\nHo Se O F\n6 8 24 2\ndirect\n0.075748 0.537874 0.202666 Ho\n0.462126 0.924252 0.202666 Ho\n0.537874 0.075748 0.702666 Ho\n0.924252 0.462126 0.702666 Ho\n0.462126 0.537874 0.202666 Ho\n0.537874 0.462126 0.702666 Ho\n0.309501 0.154751 0.935623 Se\n0.845249 0.154751 0.935623 Se\n0.333333 0.666667 0.768252 Se\n0.845249 0.690499 0.935623 Se\n0.690499 0.845249 0.435623 Se\n0.666667 0.333333 0.268252 Se\n0.154751 0.845249 0.435623 Se\n0.154751 0.309501 0.435623 Se\n0.336646 0.416972 0.505562 O\n0.919674 0.336646 0.005562 O\n0.419398 0.838797 0.881866 O\n0.336646 0.919674 0.505562 O\n0.635751 0.817875 0.194691 O\n0.419398 0.580602 0.881866 O\n0.182125 0.817875 0.194691 O\n0.663354 0.583028 0.005562 O\n0.838797 0.419398 0.381866 O\n0.416972 0.336646 0.005562 O\n0.364249 0.182125 0.694691 O\n0.580602 0.419398 0.381866 O\n0.663354 0.080326 0.005562 O\n0.580602 0.161203 0.381866 O\n0.817875 0.635751 0.694691 O\n0.583028 0.919674 0.505562 O\n0.817875 0.182125 0.694691 O\n0.080326 0.416972 0.505562 O\n0.161203 0.580602 0.881866 O\n0.182125 0.364249 0.194691 O\n0.919674 0.583028 0.005562 O\n0.080326 0.663354 0.505562 O\n0.416972 0.080326 0.005562 O\n0.583028 0.663354 0.505562 O\n0.666667 0.333333 0.748805 F\n0.333333 0.666667 0.248805 F\n",
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{
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"structure_string": "Mg5 Sb1\n1.0\n1.628189 -8.117159 0.000000\n1.628189 8.117159 0.000000\n0.000000 0.000000 5.319515\nMg Sb\n5 1\ndirect\n0.000655 0.999345 0.500000 Mg\n0.333261 0.666739 0.500000 Mg\n0.665737 0.334263 0.500000 Mg\n0.109857 0.890143 0.000000 Mg\n0.446747 0.553253 0.000000 Mg\n0.777076 0.222924 0.000000 Sb\n",
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{
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},
{
"id": "mp-1219848",
"created_at": "2022-09-04T14:40:27.858188Z",
"structure_string": "Rb3 W12 O36\n1.0\n-3.761475 6.513523 7.744189\n3.761475 -6.513523 7.744189\n3.761475 6.513523 -7.744189\nRb W O\n3 12 36\ndirect\n0.500000 0.500000 0.000000 Rb\n0.240368 0.240368 0.000000 Rb\n0.759632 0.759632 0.000000 Rb\n0.374788 0.874788 0.500000 W\n0.875611 0.375611 0.500000 W\n0.126141 0.623851 0.999672 W\n0.624179 0.126469 0.000328 W\n0.126141 0.126469 0.502291 W\n0.624179 0.623851 0.497709 W\n0.625212 0.125212 0.500000 W\n0.124389 0.624389 0.500000 W\n0.375821 0.873531 0.999672 W\n0.873859 0.376149 0.000328 W\n0.375821 0.376149 0.502291 W\n0.873859 0.873531 0.497709 W\n0.086761 0.874082 0.212679 O\n0.585075 0.375171 0.209903 O\n0.269768 0.059610 0.579072 O\n0.767577 0.556120 0.575495 O\n0.269768 0.690696 0.210158 O\n0.767577 0.192083 0.211457 O\n0.165268 0.375171 0.790097 O\n0.661403 0.874082 0.787321 O\n0.980625 0.556120 0.788543 O\n0.480538 0.059610 0.789842 O\n0.980625 0.192083 0.424505 O\n0.480538 0.690696 0.420928 O\n0.414925 0.624829 0.790097 O\n0.913239 0.125918 0.787321 O\n0.232423 0.443880 0.424505 O\n0.730232 0.940390 0.420928 O\n0.232423 0.807917 0.788543 O\n0.730232 0.309304 0.789842 O\n0.338597 0.125918 0.212679 O\n0.834732 0.624829 0.209903 O\n0.519462 0.940390 0.210158 O\n0.019375 0.443880 0.211457 O\n0.519462 0.309304 0.579072 O\n0.019375 0.807917 0.575495 O\n0.250382 0.250488 0.500870 O\n0.749618 0.749512 0.499130 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.250382 0.749512 0.999894 O\n0.749618 0.250488 0.000106 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.749775 0.249775 0.500000 O\n0.250225 0.750225 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li4 Mn4 P4 H8 O20\n1.0\n5.157456 0.000000 0.000000\n0.000000 8.201200 0.000000\n0.000000 0.000000 11.187080\nLi Mn P H O\n4 4 4 8 20\ndirect\n0.195042 0.122532 0.115566 Li\n0.695042 0.622532 0.384434 Li\n0.195042 0.377468 0.615566 Li\n0.695042 0.877468 0.884434 Li\n0.701326 0.311594 0.195978 Mn\n0.201326 0.811594 0.304022 Mn\n0.701326 0.188406 0.695978 Mn\n0.201326 0.688406 0.804022 Mn\n0.691134 0.911664 0.164296 P\n0.191134 0.411664 0.335704 P\n0.691134 0.588336 0.664296 P\n0.191134 0.088336 0.835704 P\n0.373289 0.570470 0.009721 H\n0.143651 0.687869 0.040406 H\n0.643651 0.187869 0.459594 H\n0.873289 0.070470 0.490279 H\n0.373289 0.929530 0.509721 H\n0.143651 0.812131 0.540406 H\n0.643651 0.312131 0.959594 H\n0.873289 0.429530 0.990279 H\n0.692079 0.403630 0.011084 O\n0.627011 0.822856 0.048475 O\n0.557569 0.083630 0.167857 O\n0.991148 0.936711 0.180157 O\n0.094021 0.314810 0.223030 O\n0.594021 0.814810 0.276970 O\n0.491148 0.436711 0.319843 O\n0.057569 0.583630 0.332143 O\n0.127011 0.322856 0.451525 O\n0.192079 0.903630 0.488916 O\n0.692079 0.096370 0.511084 O\n0.627011 0.677144 0.548475 O\n0.557569 0.416370 0.667857 O\n0.991148 0.563289 0.680157 O\n0.094021 0.185190 0.723030 O\n0.594021 0.685190 0.776970 O\n0.491148 0.063289 0.819843 O\n0.057569 0.916370 0.832143 O\n0.127011 0.177144 0.951525 O\n0.192079 0.596370 0.988916 O\n",
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{
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"structure_string": "Mg2 Ti4\n1.0\n5.112552 -2.564726 0.000000\n5.112552 2.564726 0.000000\n3.825950 0.000000 4.251837\nMg Ti\n2 4\ndirect\n0.166471 0.166471 0.166471 Mg\n0.833529 0.833529 0.833529 Mg\n0.334729 0.000000 0.665271 Ti\n0.665271 0.334729 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.665271 0.334729 Ti\n",
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}
]
}