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{
"id": "mp-779366",
"created_at": "2022-09-04T14:46:39.975675Z",
"structure_string": "Li4 Cr4 P16 O48\n1.0\n12.997663 0.000000 0.000000\n0.000000 7.345623 0.000000\n0.000000 6.927258 9.139198\nLi Cr P O\n4 4 16 48\ndirect\n0.226565 0.932079 0.052499 Li\n0.726565 0.067921 0.447501 Li\n0.273435 0.932079 0.552499 Li\n0.773435 0.067921 0.947501 Li\n0.297941 0.523347 0.436684 Cr\n0.797941 0.476653 0.063316 Cr\n0.202059 0.523347 0.936684 Cr\n0.702059 0.476653 0.563316 Cr\n0.614011 0.831929 0.241115 P\n0.130238 0.418991 0.694599 P\n0.911273 0.468913 0.703005 P\n0.899541 0.071422 0.226201 P\n0.399541 0.928578 0.273799 P\n0.411273 0.531087 0.796995 P\n0.630238 0.581009 0.805401 P\n0.114011 0.168071 0.258885 P\n0.885989 0.831929 0.741115 P\n0.369762 0.418991 0.194599 P\n0.588727 0.468913 0.203005 P\n0.600459 0.071422 0.726201 P\n0.100459 0.928578 0.773799 P\n0.088727 0.531087 0.296995 P\n0.869762 0.581009 0.305401 P\n0.385989 0.168071 0.758885 P\n0.878409 0.838179 0.252838 O\n0.895344 0.223284 0.821123 O\n0.428247 0.396456 0.729362 O\n0.314395 0.865848 0.212915 O\n0.685656 0.960352 0.115501 O\n0.137830 0.408903 0.828979 O\n0.648165 0.765593 0.388573 O\n0.905747 0.271982 0.064721 O\n0.507922 0.979646 0.194123 O\n0.020942 0.523161 0.618518 O\n0.213496 0.548027 0.580984 O\n0.333440 0.402187 0.920503 O\n0.833440 0.597813 0.579497 O\n0.007922 0.020354 0.305877 O\n0.713496 0.451973 0.919016 O\n0.405747 0.728018 0.435279 O\n0.520942 0.476839 0.881482 O\n0.148165 0.234407 0.111427 O\n0.637830 0.591097 0.671021 O\n0.185656 0.039648 0.384499 O\n0.814395 0.134152 0.287085 O\n0.928247 0.603544 0.770638 O\n0.378409 0.161821 0.247162 O\n0.395344 0.776716 0.678877 O\n0.604656 0.223284 0.321123 O\n0.621591 0.838179 0.752838 O\n0.071753 0.396456 0.229362 O\n0.185605 0.865848 0.712915 O\n0.814344 0.960352 0.615501 O\n0.362170 0.408903 0.328979 O\n0.851835 0.765593 0.888573 O\n0.479058 0.523161 0.118518 O\n0.594253 0.271982 0.564721 O\n0.286504 0.548027 0.080984 O\n0.992078 0.979646 0.694123 O\n0.166560 0.402187 0.420503 O\n0.666560 0.597813 0.079497 O\n0.786504 0.451973 0.419016 O\n0.979058 0.476839 0.381482 O\n0.492078 0.020354 0.805877 O\n0.094253 0.728018 0.935279 O\n0.351835 0.234407 0.611427 O\n0.862170 0.591097 0.171021 O\n0.314344 0.039648 0.884499 O\n0.685605 0.134152 0.787085 O\n0.571753 0.603544 0.270638 O\n0.104656 0.776716 0.178877 O\n0.121591 0.161821 0.747162 O\n",
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"formula_full": "Li4 Cr4 P16 O48",
"formula_reduced": "LiCr(PO3)4",
"formula_anonymous": "ABC4D12",
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"spacegroup": 14
},
{
"id": "mp-1043713",
"created_at": "2022-09-04T14:46:11.169857Z",
"structure_string": "Zn2 Ni6 P8 O28\n1.0\n7.493508 0.000000 0.000000\n0.000000 7.237341 0.000000\n0.000000 3.611670 8.769075\nZn Ni P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.128419 0.814280 0.522495 Ni\n0.628419 0.185720 0.977505 Ni\n0.871581 0.185720 0.477505 Ni\n0.371581 0.814280 0.022495 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.924121 0.411753 0.703633 P\n0.424121 0.588247 0.796367 P\n0.075879 0.588247 0.296367 P\n0.575879 0.411753 0.203633 P\n0.207875 0.132280 0.687251 P\n0.707875 0.867720 0.812749 P\n0.792125 0.867720 0.312749 P\n0.292125 0.132280 0.187251 P\n0.384769 0.195508 0.598744 O\n0.884769 0.804492 0.901256 O\n0.615231 0.804492 0.401256 O\n0.115231 0.195508 0.098744 O\n0.378356 0.721332 0.626868 O\n0.878356 0.278668 0.873132 O\n0.621644 0.278668 0.373132 O\n0.121644 0.721332 0.126868 O\n0.790706 0.381362 0.592036 O\n0.290706 0.618638 0.907964 O\n0.209294 0.618638 0.407964 O\n0.709294 0.381362 0.092036 O\n0.115541 0.336839 0.671388 O\n0.615541 0.663161 0.828612 O\n0.884459 0.663161 0.328612 O\n0.384459 0.336839 0.171388 O\n0.532837 0.621632 0.190603 O\n0.032837 0.378368 0.309397 O\n0.467163 0.378368 0.809397 O\n0.967163 0.621632 0.690603 O\n0.784009 0.983600 0.139958 O\n0.284009 0.016400 0.360042 O\n0.215991 0.016400 0.860042 O\n0.715991 0.983600 0.639958 O\n0.415851 0.032224 0.109409 O\n0.915851 0.967776 0.390591 O\n0.584149 0.967776 0.890591 O\n0.084149 0.032224 0.609409 O\n",
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"elements": [
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"O"
],
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"volume": 475.57388183090853,
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"formula_full": "Zn2 Ni6 P8 O28",
"formula_reduced": "ZnNi3(P2O7)2",
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{
"id": "mp-1177932",
"created_at": "2022-09-04T14:46:58.257915Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n4.846826 0.000000 0.000000\n-2.281697 10.666216 0.000000\n-2.265295 -2.315269 10.420665\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.176965 0.767903 0.906076 Li\n0.173582 0.268379 0.408115 Li\n0.823295 0.342352 0.980171 Li\n0.825565 0.843184 0.483191 Li\n0.213503 0.114415 0.615039 Mn\n0.785689 0.134321 0.135129 Mn\n0.215998 0.613941 0.114358 V\n0.786263 0.636271 0.636718 V\n0.399776 0.849857 0.669178 P\n0.211055 0.436202 0.649785 P\n0.214429 0.937226 0.152599 P\n0.599420 0.578446 0.898469 P\n0.400174 0.348987 0.171149 P\n0.788377 0.099735 0.811070 P\n0.786659 0.598364 0.314922 P\n0.600311 0.080798 0.403321 P\n0.190840 0.760506 0.723733 O\n0.244230 0.918534 0.576984 O\n0.395881 0.640794 0.964302 O\n0.057355 0.089593 0.760509 O\n0.050087 0.587249 0.262801 O\n0.126714 0.293361 0.591475 O\n0.132527 0.793250 0.096231 O\n0.597557 0.954603 0.797010 O\n0.404026 0.450254 0.796028 O\n0.402485 0.952916 0.298044 O\n0.398183 0.510167 0.574868 O\n0.609103 0.785759 0.609897 O\n0.184299 0.257920 0.222013 O\n0.250572 0.423025 0.081787 O\n0.753884 0.669181 0.826582 O\n0.813561 0.527759 0.989522 O\n0.391827 0.140421 0.468985 O\n0.600562 0.174566 0.737382 O\n0.600842 0.674235 0.241664 O\n0.595869 0.451476 0.299532 O\n0.875143 0.157762 0.954089 O\n0.866592 0.654854 0.458623 O\n0.401254 0.010514 0.076437 O\n0.949324 0.488581 0.664247 O\n0.943090 0.986736 0.159752 O\n0.603042 0.282189 0.108348 O\n0.749370 0.172515 0.332264 O\n0.810723 0.026480 0.492020 O\n",
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"volume": 538.7201720767999,
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"formula_full": "Li4 Mn2 V2 P8 O28",
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{
"id": "mp-39208",
"created_at": "2022-09-04T14:44:28.766993Z",
"structure_string": "Ba4 La4 Ti4 Cr4 O24\n1.0\n3.984009 0.000000 0.000000\n0.000000 5.657296 0.000000\n0.000000 0.000000 22.441847\nBa La Ti Cr O\n4 4 4 4 24\ndirect\n0.000000 0.750000 0.808097 Ba\n0.000000 0.250000 0.935977 Ba\n0.000000 0.750000 0.064023 Ba\n0.000000 0.250000 0.191903 Ba\n0.000000 0.750000 0.319467 La\n0.000000 0.750000 0.563350 La\n0.000000 0.250000 0.436650 La\n0.000000 0.250000 0.680533 La\n0.500000 0.750000 0.935949 Ti\n0.500000 0.750000 0.192933 Ti\n0.500000 0.250000 0.064051 Ti\n0.500000 0.250000 0.807067 Ti\n0.500000 0.750000 0.439132 Cr\n0.500000 0.250000 0.315792 Cr\n0.500000 0.250000 0.560868 Cr\n0.500000 0.750000 0.684208 Cr\n0.500000 0.500652 0.871936 O\n0.500000 0.000000 0.000000 O\n0.500000 0.499348 0.128064 O\n0.500000 0.500368 0.377254 O\n0.500000 0.985711 0.256203 O\n0.500000 0.000000 0.500000 O\n0.500000 0.499632 0.622746 O\n0.500000 0.014289 0.743797 O\n0.500000 0.999348 0.871936 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000652 0.128064 O\n0.500000 0.514289 0.256203 O\n0.500000 0.999632 0.377254 O\n0.500000 0.000368 0.622746 O\n0.500000 0.500000 0.500000 O\n0.500000 0.485711 0.743797 O\n0.000000 0.750000 0.936281 O\n0.000000 0.250000 0.063719 O\n0.000000 0.750000 0.195214 O\n0.000000 0.250000 0.323347 O\n0.000000 0.750000 0.435914 O\n0.000000 0.250000 0.564086 O\n0.000000 0.750000 0.676653 O\n0.000000 0.250000 0.804786 O\n",
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],
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"density": 6.199374773859104,
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"volume": 505.81046496413796,
"volume_molar": 7.6151545447377185,
"formula_full": "Ba4 La4 Ti4 Cr4 O24",
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"spacegroup": 51
},
{
"id": "mp-1044192",
"created_at": "2022-09-04T14:41:55.981940Z",
"structure_string": "Ca2 Mn4 P4 O20\n1.0\n0.000000 5.805867 8.086651\n3.672647 0.000000 8.086651\n3.672647 5.805867 0.000000\nCa Mn P O\n2 4 4 20\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Ca\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.791844 0.791844 0.208156 P\n0.458156 0.458156 0.041844 P\n0.208156 0.208156 0.791844 P\n0.041844 0.041844 0.458156 P\n0.974846 0.326896 0.006953 O\n0.416990 0.416990 0.583010 O\n0.895971 0.074347 0.388921 O\n0.243047 0.558696 0.275154 O\n0.326896 0.974846 0.691304 O\n0.354029 0.175653 0.861079 O\n0.833010 0.833010 0.666990 O\n0.583010 0.583010 0.416990 O\n0.666990 0.666990 0.833010 O\n0.275154 0.923104 0.243047 O\n0.691304 0.006953 0.326896 O\n0.558696 0.243047 0.923104 O\n0.006953 0.691304 0.974846 O\n0.074347 0.895971 0.640761 O\n0.609239 0.861079 0.175653 O\n0.388921 0.640761 0.895971 O\n0.861079 0.609239 0.354029 O\n0.640761 0.388921 0.074347 O\n0.923104 0.275154 0.558696 O\n0.175653 0.354029 0.609239 O\n",
"nsites": 30,
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"formula_full": "Ca2 Mn4 P4 O20",
"formula_reduced": "CaMn2(PO5)2",
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{
"id": "mp-1176207",
"created_at": "2022-09-04T14:42:57.839236Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.015545 0.000000 0.000000\n1.063452 7.716960 0.000000\n0.049615 0.103567 12.505210\nLi Mn Co O\n9 2 5 16\ndirect\n0.189235 0.625908 0.061320 Li\n0.940400 0.119238 0.316144 Li\n0.684992 0.625136 0.557803 Li\n0.810989 0.375352 0.940248 Li\n0.562036 0.874040 0.190476 Li\n0.314298 0.374810 0.440369 Li\n0.441041 0.126086 0.809676 Li\n0.057361 0.879678 0.684397 Li\n0.500468 0.999139 0.499840 Li\n0.994692 0.998794 0.000439 Mn\n0.250126 0.499609 0.747649 Mn\n0.749071 0.502713 0.252211 Co\n0.624150 0.749628 0.873909 Co\n0.369344 0.251899 0.128311 Co\n0.120008 0.761091 0.378998 Co\n0.889028 0.237746 0.619369 Co\n0.621167 0.813870 0.023613 O\n0.333853 0.316397 0.275750 O\n0.103620 0.801122 0.516248 O\n0.250085 0.569182 0.898149 O\n0.941162 0.070751 0.149906 O\n0.746700 0.570148 0.397526 O\n0.870767 0.313281 0.768002 O\n0.491825 0.076265 0.652699 O\n0.793102 0.436189 0.104057 O\n0.516640 0.922688 0.346931 O\n0.263234 0.428323 0.599953 O\n0.365730 0.188101 0.976780 O\n0.172001 0.684507 0.232052 O\n0.897220 0.196687 0.482382 O\n0.005283 0.926897 0.850462 O\n0.630372 0.684726 0.724330 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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{
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}