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{
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"formula_full": "Zr4 H32 C8 S4 O8 F16",
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},
{
"id": "mp-1214629",
"created_at": "2022-09-04T14:43:40.866470Z",
"structure_string": "Ba2 Zn2 Cr7 Ga2 Sn2 O22\n1.0\n2.984635 -5.169539 0.000000\n2.984635 5.169539 0.000000\n0.000000 0.000000 14.489932\nBa Zn Cr Ga Sn O\n2 2 7 2 2 22\ndirect\n0.333333 0.666667 0.574976 Ba\n0.666667 0.333333 0.425024 Ba\n0.333333 0.666667 0.044458 Zn\n0.666667 0.333333 0.955542 Zn\n0.831480 0.168520 0.170056 Cr\n0.168520 0.831480 0.829944 Cr\n0.831480 0.662960 0.170056 Cr\n0.168520 0.337040 0.829944 Cr\n0.337040 0.168520 0.170056 Cr\n0.662960 0.831480 0.829944 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.372968 Ga\n0.000000 0.000000 0.627032 Ga\n0.333333 0.666667 0.318207 Sn\n0.666667 0.333333 0.681793 Sn\n0.173082 0.826918 0.407620 O\n0.826918 0.173082 0.592380 O\n0.173082 0.346163 0.407620 O\n0.826918 0.653837 0.592380 O\n0.653837 0.826918 0.407620 O\n0.346163 0.173082 0.592380 O\n0.507016 0.492984 0.242578 O\n0.492984 0.507016 0.757422 O\n0.507016 0.014031 0.242578 O\n0.492984 0.985969 0.757422 O\n0.985969 0.492984 0.242578 O\n0.014031 0.507016 0.757422 O\n0.150288 0.849712 0.088245 O\n0.849712 0.150288 0.911755 O\n0.150288 0.300577 0.088245 O\n0.849712 0.699423 0.911755 O\n0.699423 0.849712 0.088245 O\n0.300577 0.150288 0.911755 O\n0.333333 0.666667 0.904078 O\n0.666667 0.333333 0.095922 O\n0.000000 0.000000 0.240690 O\n0.000000 0.000000 0.759310 O\n",
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"formula_full": "Ba2 Zn2 Cr7 Ga2 Sn2 O22",
"formula_reduced": "Ba2Zn2Cr7Ga2(SnO11)2",
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"energy": -285.29888500000004,
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},
{
"id": "mp-1235551",
"created_at": "2022-09-04T14:43:49.925661Z",
"structure_string": "Li1 Al2 H4 Pb2 O4 F6\n1.0\n6.723540 -0.062369 -2.174367\n-2.145431 7.201929 -0.220049\n-0.240462 -0.170456 4.958898\nLi Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.568953 0.314778 0.201598 Li\n0.211033 0.656742 0.179504 Al\n0.830420 0.343500 0.811899 Al\n0.172650 0.471876 0.713346 H\n0.875742 0.547073 0.290930 H\n0.177081 0.864402 0.801261 H\n0.809276 0.139848 0.173518 H\n0.722085 0.790549 0.771659 Pb\n0.215854 0.128498 0.349837 Pb\n0.114415 0.456107 0.867179 O\n0.911825 0.555243 0.117705 O\n0.116757 0.840233 0.951377 O\n0.870943 0.146332 0.023087 O\n0.285145 0.827934 0.508712 F\n0.736820 0.180296 0.470702 F\n0.279728 0.497054 0.447763 F\n0.741699 0.504251 0.533393 F\n0.483829 0.735585 0.194375 F\n0.563247 0.286739 0.829655 F\n",
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"formula_full": "Li1 Al2 H4 Pb2 O4 F6",
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{
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"created_at": "2022-09-04T14:43:49.113488Z",
"structure_string": "Ba2 Ho2 Al3 Si5 N11 O3\n1.0\n3.168268 -5.487602 0.000000\n3.168268 5.487602 0.000000\n0.000000 0.000000 10.729854\nBa Ho Al Si N O\n2 2 3 5 11 3\ndirect\n0.333333 0.666667 0.128482 Ba\n0.666667 0.333333 0.651768 Ba\n0.333333 0.666667 0.628178 Ho\n0.666667 0.333333 0.350459 Ho\n0.160312 0.839688 0.434138 Al\n0.160312 0.320623 0.434138 Al\n0.679377 0.839688 0.434138 Al\n0.000000 0.000000 0.712535 Si\n0.000000 0.000000 0.215724 Si\n0.341673 0.170837 0.931032 Si\n0.829163 0.658327 0.931032 Si\n0.829163 0.170837 0.931032 Si\n0.146165 0.853835 0.265386 N\n0.146165 0.292329 0.265386 N\n0.000000 0.000000 0.536938 N\n0.000000 0.000000 0.018976 N\n0.283753 0.141876 0.780398 N\n0.488035 0.511965 0.487594 N\n0.707671 0.853835 0.265386 N\n0.488035 0.976070 0.487594 N\n0.858124 0.716247 0.780398 N\n0.023930 0.511965 0.487594 N\n0.858124 0.141876 0.780398 N\n0.939603 0.469801 0.974084 O\n0.530199 0.060397 0.974084 O\n0.530199 0.469801 0.974084 O\n",
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"elements": [
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],
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"formula_full": "Ba2 Ho2 Al3 Si5 N11 O3",
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{
"id": "mp-1263670",
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"structure_string": "Na4 Ca8 Ti4 Si8 O32 F4\n1.0\n5.815076 0.025324 0.112108\n0.003661 7.418829 -1.493783\n0.374231 0.014809 19.298549\nNa Ca Ti Si O F\n4 8 4 8 32 4\ndirect\n0.283787 0.710075 0.500387 Na\n0.960666 0.990115 0.998195 Na\n0.985677 0.482790 0.993054 Na\n0.288229 0.199952 0.499978 Na\n0.023633 0.654108 0.324829 Ca\n0.546736 0.318771 0.679328 Ca\n0.731089 0.825973 0.177458 Ca\n0.542838 0.831447 0.673573 Ca\n0.214613 0.642122 0.818662 Ca\n0.724757 0.323568 0.181460 Ca\n0.205454 0.147851 0.822145 Ca\n0.015202 0.140129 0.322713 Ca\n0.788644 0.937105 0.499639 Ti\n0.526377 0.228099 0.976392 Ti\n0.396702 0.750482 0.025313 Ti\n0.788864 0.362890 0.501626 Ti\n0.243587 0.080097 0.152598 Si\n0.516093 0.426680 0.359956 Si\n0.713018 0.895250 0.844367 Si\n0.705760 0.436486 0.853717 Si\n0.030139 0.566600 0.643188 Si\n0.038096 0.041170 0.647406 Si\n0.515096 0.895935 0.354238 Si\n0.244485 0.545612 0.154150 Si\n0.690267 0.770062 0.048322 O\n0.778379 0.576916 0.679670 O\n0.659434 0.413213 0.934506 O\n0.649278 0.258979 0.060748 O\n0.681035 0.022935 0.921711 O\n0.231619 0.212219 0.952754 O\n0.267881 0.906369 0.322655 O\n0.002334 0.590368 0.197334 O\n0.630399 0.249929 0.558446 O\n0.536061 0.982378 0.436834 O\n0.545649 0.427898 0.443758 O\n0.262925 0.384463 0.332397 O\n0.000500 0.078080 0.195161 O\n0.049381 0.037937 0.563701 O\n0.744869 0.379267 0.310147 O\n0.239734 0.964504 0.072828 O\n0.487999 0.883645 0.798278 O\n0.244534 0.584452 0.074715 O\n0.481639 0.082020 0.189920 O\n0.794290 0.076268 0.688249 O\n0.971136 0.892973 0.813320 O\n0.948882 0.762901 0.443015 O\n0.745336 0.889172 0.304772 O\n0.965169 0.395680 0.825690 O\n0.620683 0.822096 0.555882 O\n0.042914 0.481739 0.558452 O\n0.266008 0.096446 0.691184 O\n0.940336 0.188266 0.444879 O\n0.489469 0.388651 0.804832 O\n0.482522 0.578418 0.192073 O\n0.253107 0.543405 0.687298 O\n0.277346 0.709721 0.939962 O\n0.712569 0.678980 0.870163 F\n0.088479 0.795518 0.636495 F\n0.212399 0.303303 0.132305 F\n0.502900 0.664523 0.367172 F\n",
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"formula_full": "Na4 Ca8 Ti4 Si8 O32 F4",
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},
{
"id": "mp-776449",
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"structure_string": "Li4 Mn2 V2 P4 O16 F4\n1.0\n6.912302 0.000000 0.000000\n3.387329 6.606169 0.000000\n0.226927 0.336928 7.970900\nLi Mn V P O F\n4 2 2 4 16 4\ndirect\n0.744068 0.812285 0.825920 Li\n0.246222 0.811755 0.325457 Li\n0.753778 0.188245 0.674543 Li\n0.255932 0.187715 0.174080 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.281872 0.238715 0.837389 P\n0.781172 0.235587 0.340254 P\n0.218828 0.764413 0.659746 P\n0.718128 0.761285 0.162611 P\n0.407791 0.612491 0.767174 O\n0.278069 0.918477 0.558841 O\n0.221233 0.087190 0.939512 O\n0.328958 0.345610 0.982145 O\n0.092244 0.388526 0.728110 O\n0.837913 0.338430 0.482563 O\n0.010433 0.888109 0.767809 O\n0.508289 0.883621 0.267758 O\n0.491711 0.116379 0.732242 O\n0.989567 0.111891 0.232191 O\n0.162087 0.661570 0.517437 O\n0.907756 0.611474 0.271890 O\n0.671042 0.654390 0.017855 O\n0.778767 0.912810 0.060488 O\n0.721931 0.081523 0.441159 O\n0.592209 0.387509 0.232826 O\n0.765797 0.262139 0.899673 F\n0.729728 0.737034 0.609417 F\n0.270272 0.262966 0.390583 F\n0.234203 0.737861 0.100327 F\n",
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"formula_full": "Li4 Mn2 V2 P4 O16 F4",
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},
{
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}