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{
"id": "mp-758993",
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"structure_string": "Li8 Cr8 P8 O28 F8\n1.0\n6.912386 0.000000 0.000000\n0.000000 10.593779 0.000000\n0.000000 0.000000 10.853677\nLi Cr P O F\n8 8 8 28 8\ndirect\n0.333072 0.999020 0.750757 Li\n0.666928 0.500980 0.750757 Li\n0.833072 0.000980 0.749243 Li\n0.166928 0.499020 0.749243 Li\n0.166928 0.999020 0.250757 Li\n0.833072 0.500980 0.250757 Li\n0.333072 0.499020 0.249243 Li\n0.666928 0.000980 0.249243 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.250000 0.823724 Cr\n0.500000 0.750000 0.676276 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.250000 0.323724 Cr\n0.000000 0.750000 0.176276 Cr\n0.287730 0.751648 0.938506 P\n0.712270 0.748352 0.938506 P\n0.787730 0.248352 0.561494 P\n0.212270 0.251648 0.561494 P\n0.212270 0.751648 0.438506 P\n0.787730 0.748352 0.438506 P\n0.287730 0.251648 0.061494 P\n0.712270 0.248352 0.061494 P\n0.167474 0.329493 0.968496 O\n0.832526 0.170507 0.968496 O\n0.500000 0.750000 0.004863 O\n0.214804 0.615939 0.925206 O\n0.785196 0.884061 0.925206 O\n0.312643 0.817268 0.814454 O\n0.687357 0.682732 0.814454 O\n0.812643 0.182732 0.685546 O\n0.187357 0.317268 0.685546 O\n0.285196 0.115939 0.574794 O\n0.714804 0.384061 0.574794 O\n0.000000 0.250000 0.495137 O\n0.667474 0.670507 0.531504 O\n0.332526 0.829493 0.531504 O\n0.332526 0.329493 0.468496 O\n0.667474 0.170507 0.468496 O\n0.000000 0.750000 0.504863 O\n0.285196 0.615939 0.425206 O\n0.714804 0.884061 0.425206 O\n0.812643 0.682732 0.314454 O\n0.187357 0.817268 0.314454 O\n0.312643 0.317268 0.185546 O\n0.687357 0.182732 0.185546 O\n0.214804 0.115939 0.074794 O\n0.785196 0.384061 0.074794 O\n0.500000 0.250000 0.995137 O\n0.167474 0.829493 0.031504 O\n0.832526 0.670507 0.031504 O\n0.089491 0.041278 0.808171 F\n0.910509 0.458722 0.808171 F\n0.410509 0.541278 0.691829 F\n0.589491 0.958722 0.691829 F\n0.410509 0.041278 0.308171 F\n0.589491 0.458722 0.308171 F\n0.089491 0.541278 0.191829 F\n0.910509 0.958722 0.191829 F\n",
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],
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"formula_full": "Li8 Cr8 P8 O28 F8",
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"updated_at": "2021-11-28T01:36:40.002000Z",
"spacegroup": 60
},
{
"id": "mp-758037",
"created_at": "2022-09-04T14:43:17.464409Z",
"structure_string": "Li2 Ti3 P9 O28\n1.0\n7.266357 0.000000 0.000000\n-1.456097 9.152428 0.000000\n-3.332052 -4.104633 8.010323\nLi Ti P O\n2 3 9 28\ndirect\n0.200347 0.996256 0.735244 Li\n0.799653 0.003744 0.264756 Li\n0.000000 0.500000 0.500000 Ti\n0.250605 0.995849 0.245022 Ti\n0.749395 0.004151 0.754978 Ti\n0.308394 0.763479 0.441275 P\n0.796955 0.760531 0.938753 P\n0.680878 0.706049 0.411227 P\n0.163648 0.691205 0.904447 P\n0.500000 0.500000 0.000000 P\n0.319122 0.293951 0.588773 P\n0.836352 0.308795 0.095553 P\n0.691606 0.236521 0.558725 P\n0.203045 0.239469 0.061247 P\n0.430412 0.913449 0.615611 O\n0.928453 0.906190 0.116192 O\n0.285559 0.868917 0.042977 O\n0.810044 0.877853 0.560755 O\n0.740710 0.821455 0.805998 O\n0.236150 0.813245 0.301764 O\n0.654414 0.710518 0.248736 O\n0.129247 0.685422 0.734225 O\n0.603639 0.654580 0.924214 O\n0.126838 0.650105 0.435401 O\n0.454854 0.656472 0.408706 O\n0.935990 0.647655 0.901253 O\n0.244039 0.560519 0.938327 O\n0.760559 0.571081 0.440610 O\n0.755961 0.439481 0.061673 O\n0.239441 0.428919 0.559390 O\n0.545146 0.343528 0.591294 O\n0.064010 0.352345 0.098747 O\n0.396361 0.345420 0.075786 O\n0.873162 0.349895 0.564599 O\n0.345586 0.289482 0.751264 O\n0.870753 0.314578 0.265775 O\n0.259290 0.178545 0.194002 O\n0.763850 0.186755 0.698236 O\n0.714441 0.131083 0.957023 O\n0.189956 0.122147 0.439245 O\n0.569588 0.086551 0.384389 O\n0.071547 0.093810 0.883808 O\n",
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"elements": [
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"formula_full": "Li2 Ti3 P9 O28",
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"spacegroup": 2
},
{
"id": "mp-764980",
"created_at": "2022-09-04T14:47:26.804755Z",
"structure_string": "Li4 Mn4 F20\n1.0\n4.984220 0.000000 0.000000\n0.000000 5.786980 0.000000\n0.000000 0.000000 13.106667\nLi Mn F\n4 4 20\ndirect\n0.969696 0.633984 0.639183 Li\n0.469696 0.866016 0.360817 Li\n0.530304 0.366016 0.139183 Li\n0.030304 0.133984 0.860817 Li\n0.319414 0.128147 0.586926 Mn\n0.819414 0.371853 0.413074 Mn\n0.180586 0.871853 0.086926 Mn\n0.680586 0.628147 0.913074 Mn\n0.128912 0.923153 0.662814 F\n0.595622 0.105439 0.670828 F\n0.173107 0.364431 0.660744 F\n0.444206 0.896344 0.505328 F\n0.513458 0.352922 0.508326 F\n0.013458 0.147078 0.491674 F\n0.944206 0.603656 0.494672 F\n0.673107 0.135569 0.339256 F\n0.095622 0.394561 0.329172 F\n0.628912 0.576847 0.337186 F\n0.371088 0.076847 0.162814 F\n0.904378 0.894561 0.170828 F\n0.326893 0.635569 0.160744 F\n0.055794 0.103656 0.005328 F\n0.986542 0.647078 0.008326 F\n0.486542 0.852922 0.991674 F\n0.555794 0.396344 0.994672 F\n0.826893 0.864431 0.839256 F\n0.404378 0.605439 0.829172 F\n0.871088 0.423153 0.837186 F\n",
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"elements": [
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],
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"volume": 378.0432172259244,
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"formula_full": "Li4 Mn4 F20",
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},
{
"id": "mp-1192716",
"created_at": "2022-09-04T14:41:56.972286Z",
"structure_string": "Pb2 C4 S4 Br4 N8\n1.0\n0.517846 0.000000 3.971896\n8.246415 0.000000 0.141629\n0.000000 18.847984 0.000000\nPb C S Br N\n2 4 4 4 8\ndirect\n0.881188 0.788995 0.834878 Pb\n0.118812 0.211005 0.334878 Pb\n0.128952 0.775513 0.587018 C\n0.871048 0.224487 0.087018 C\n0.040808 0.685726 0.177203 C\n0.959192 0.314274 0.677203 C\n0.326528 0.726379 0.714237 S\n0.673472 0.273621 0.214237 S\n0.274006 0.755152 0.045035 S\n0.725994 0.244848 0.545035 S\n0.380683 0.002454 0.904399 Br\n0.619317 0.997546 0.404399 Br\n0.492085 0.547395 0.877230 Br\n0.507915 0.452605 0.377230 Br\n0.002556 0.737775 0.533975 N\n0.997444 0.262225 0.033975 N\n0.282505 0.831722 0.641764 N\n0.717495 0.168278 0.141764 N\n0.914857 0.679038 0.234363 N\n0.085143 0.320962 0.734363 N\n0.178131 0.682231 0.116499 N\n0.821869 0.317769 0.616499 N\n",
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],
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"formula_full": "Pb2 C4 S4 Br4 N8",
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{
"id": "mp-778606",
"created_at": "2022-09-04T14:42:00.354050Z",
"structure_string": "Na28 Fe8 O32\n1.0\n5.799943 -0.077870 0.091516\n0.159688 9.225254 -0.019049\n-0.621708 -0.033413 18.030058\nNa Fe O\n28 8 32\ndirect\n0.093140 0.159519 0.889534 Na\n0.120291 0.997185 0.718453 Na\n0.091883 0.338774 0.389963 Na\n0.224009 0.801814 0.864524 Na\n0.121637 0.501051 0.218365 Na\n0.174142 0.100592 0.538975 Na\n0.222119 0.697790 0.365575 Na\n0.176752 0.398564 0.039503 Na\n0.270597 0.447364 0.541493 Na\n0.429406 0.458412 0.863479 Na\n0.391011 0.661878 0.687685 Na\n0.270837 0.053092 0.042206 Na\n0.431680 0.041639 0.363679 Na\n0.395739 0.841212 0.186869 Na\n0.604261 0.158788 0.813131 Na\n0.568320 0.958361 0.636321 Na\n0.729163 0.946908 0.957794 Na\n0.608989 0.338122 0.312315 Na\n0.570594 0.541588 0.136521 Na\n0.729403 0.552636 0.458507 Na\n0.823248 0.601436 0.960497 Na\n0.777881 0.302210 0.634425 Na\n0.825858 0.899408 0.461025 Na\n0.878363 0.498949 0.781635 Na\n0.775991 0.198186 0.135476 Na\n0.908117 0.661226 0.610037 Na\n0.879709 0.002815 0.281547 Na\n0.906860 0.840481 0.110466 Na\n0.284831 0.328975 0.703367 Fe\n0.287015 0.780880 0.523110 Fe\n0.283989 0.172962 0.202971 Fe\n0.289006 0.718558 0.022937 Fe\n0.710994 0.281442 0.977063 Fe\n0.716011 0.827038 0.797029 Fe\n0.712985 0.219120 0.476890 Fe\n0.715169 0.671025 0.296633 Fe\n0.094034 0.853404 0.988137 O\n0.116368 0.474076 0.668166 O\n0.130260 0.245741 0.771860 O\n0.097905 0.648137 0.487612 O\n0.205006 0.866852 0.605171 O\n0.110803 0.026684 0.168084 O\n0.115783 0.253472 0.270833 O\n0.242232 0.585952 0.952699 O\n0.204039 0.635162 0.106461 O\n0.244822 0.912449 0.452631 O\n0.359869 0.183360 0.646705 O\n0.368928 0.316524 0.147294 O\n0.459993 0.184128 0.943930 O\n0.456075 0.912430 0.769312 O\n0.543501 0.415290 0.730021 O\n0.537335 0.682807 0.556798 O\n0.462665 0.317193 0.443202 O\n0.456499 0.584710 0.269979 O\n0.543925 0.087570 0.230688 O\n0.540007 0.815872 0.056070 O\n0.631072 0.683476 0.852706 O\n0.640131 0.816640 0.353295 O\n0.755178 0.087551 0.547369 O\n0.795961 0.364838 0.893539 O\n0.757768 0.414048 0.047301 O\n0.884217 0.746528 0.729167 O\n0.889197 0.973316 0.831916 O\n0.794994 0.133148 0.394829 O\n0.902095 0.351863 0.512388 O\n0.869740 0.754259 0.228140 O\n0.883632 0.525924 0.331834 O\n0.905966 0.146596 0.011863 O\n",
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{
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"structure_string": "Ag4 N8 Cl4 O16\n1.0\n0.000000 -7.000795 0.000000\n-7.448789 0.000000 0.000000\n0.000000 0.000000 -10.875857\nAg N Cl O\n4 8 4 16\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.214632 0.457701 N\n0.000000 0.785368 0.542299 N\n0.500000 0.714632 0.042299 N\n0.500000 0.285368 0.957701 N\n0.000000 0.924673 0.811308 N\n0.000000 0.075327 0.188692 N\n0.500000 0.424673 0.688692 N\n0.500000 0.575327 0.311308 N\n0.000000 0.451324 0.819756 Cl\n0.000000 0.548676 0.180244 Cl\n0.500000 0.951324 0.680244 Cl\n0.500000 0.048676 0.319756 Cl\n0.828890 0.557005 0.837378 O\n0.828890 0.442995 0.162622 O\n0.671110 0.057005 0.662622 O\n0.671110 0.942995 0.337378 O\n0.171110 0.442995 0.162622 O\n0.171110 0.557005 0.837378 O\n0.328890 0.942995 0.337378 O\n0.328890 0.057005 0.662622 O\n0.000000 0.372948 0.692130 O\n0.000000 0.627052 0.307870 O\n0.500000 0.872948 0.807870 O\n0.500000 0.127052 0.192130 O\n0.000000 0.297187 0.904518 O\n0.000000 0.702813 0.095482 O\n0.500000 0.797187 0.595482 O\n0.500000 0.202813 0.404518 O\n",
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{
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