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{
"id": "mp-756057",
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"structure_string": "Li4 V2 Fe2 P4 O16 F4\n1.0\n5.225180 -0.007204 -0.018452\n2.387815 2.454760 6.561311\n-1.381011 -8.192270 6.521885\nLi V Fe P O F\n4 2 2 4 16 4\ndirect\n0.461858 0.620717 0.191886 Li\n0.961874 0.120742 0.691895 Li\n0.538143 0.379285 0.808113 Li\n0.038127 0.879259 0.308104 Li\n0.499995 0.500003 0.499999 V\n0.000006 0.000001 0.999999 V\n0.999991 0.499979 0.000013 Fe\n0.499998 0.000002 0.499998 Fe\n0.998716 0.441032 0.320752 P\n0.498749 0.940937 0.820759 P\n0.001284 0.558969 0.679248 P\n0.501252 0.059063 0.179240 P\n0.745936 0.536848 0.377278 O\n0.246075 0.036895 0.877276 O\n0.254064 0.463153 0.622721 O\n0.753925 0.963107 0.122723 O\n0.645031 0.716033 0.894211 O\n0.144945 0.216052 0.394209 O\n0.354970 0.283968 0.105789 O\n0.855056 0.783949 0.605790 O\n0.862840 0.486715 0.170919 O\n0.362917 0.986761 0.670900 O\n0.137161 0.513286 0.829081 O\n0.637083 0.013240 0.329100 O\n0.796223 0.444890 0.667079 O\n0.296026 0.944970 0.166886 O\n0.203778 0.555111 0.332921 O\n0.703975 0.055032 0.833113 O\n0.834847 0.301065 0.963847 F\n0.334905 0.800834 0.463844 F\n0.165153 0.698936 0.036153 F\n0.665095 0.199167 0.536155 F\n",
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},
{
"id": "mp-761208",
"created_at": "2022-09-04T14:47:18.405270Z",
"structure_string": "Li4 V2 Fe2 P4 O16 F4\n1.0\n6.964431 0.000000 0.000000\n-0.065313 7.569316 0.000000\n-0.161613 -3.572176 6.920889\nLi V Fe P O F\n4 2 2 4 16 4\ndirect\n0.348195 0.920677 0.732665 Li\n0.847977 0.421508 0.232957 Li\n0.152700 0.578857 0.767128 Li\n0.651212 0.079006 0.267314 Li\n0.000028 0.000356 0.999777 V\n0.749911 0.249990 0.750243 V\n0.500153 0.499157 0.500301 Fe\n0.249896 0.749998 0.249355 Fe\n0.899445 0.777384 0.539914 P\n0.600327 0.722324 0.960172 P\n0.399389 0.278243 0.040259 P\n0.100823 0.222034 0.459603 P\n0.735235 0.896065 0.981882 O\n0.785798 0.962342 0.572092 O\n0.714012 0.537455 0.927817 O\n0.996461 0.311023 0.654911 O\n0.763546 0.603828 0.519017 O\n0.452591 0.674890 0.788371 O\n0.953237 0.175422 0.288213 O\n0.503082 0.188476 0.844344 O\n0.496260 0.812704 0.155778 O\n0.046892 0.824666 0.711606 O\n0.547126 0.324873 0.211801 O\n0.235742 0.397064 0.482360 O\n0.004486 0.687858 0.345101 O\n0.286355 0.463637 0.073404 O\n0.213772 0.036479 0.426416 O\n0.265295 0.103120 0.016810 O\n0.896981 0.233110 0.969859 F\n0.397347 0.732417 0.469381 F\n0.602393 0.268215 0.530137 F\n0.103333 0.766818 0.031014 F\n",
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"density": 3.173308682868411,
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"formula_full": "Li4 V2 Fe2 P4 O16 F4",
"formula_reduced": "Li2VFeP2(O4F)2",
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},
{
"id": "mp-1177768",
"created_at": "2022-09-04T14:43:17.274486Z",
"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n4.740535 -1.933537 4.724984\n-2.064062 7.097945 0.030394\n-6.103287 -1.936900 4.778510\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.570157 0.824330 0.175074 Li\n0.070243 0.824457 0.675070 Li\n0.429851 0.175670 0.824916 Li\n0.929749 0.175521 0.324930 Li\n0.499958 0.999977 0.500004 V\n0.999976 0.999984 0.999977 V\n0.000107 0.500038 0.000117 Fe\n0.500057 0.500183 0.499991 Fe\n0.518771 0.232055 0.157462 P\n0.018721 0.232080 0.657453 P\n0.481225 0.767949 0.842534 P\n0.981276 0.767933 0.342538 P\n0.209849 0.340762 0.150332 H\n0.709842 0.340764 0.650227 H\n0.790159 0.659197 0.849669 H\n0.290124 0.659224 0.349751 H\n0.442419 0.722869 0.395279 O\n0.942451 0.722883 0.895212 O\n0.557559 0.277156 0.604685 O\n0.057551 0.277090 0.104792 O\n0.465046 0.379774 0.261420 O\n0.965052 0.379794 0.761469 O\n0.534938 0.620232 0.738564 O\n0.034960 0.620208 0.238548 O\n0.323408 0.659394 0.980092 O\n0.823417 0.659467 0.480069 O\n0.676607 0.340586 0.019906 O\n0.176579 0.340522 0.519909 O\n0.312537 0.072746 0.058391 O\n0.812542 0.072727 0.558303 O\n0.687442 0.927224 0.941620 O\n0.187434 0.927234 0.441700 O\n0.611936 0.118088 0.273379 O\n0.111938 0.118085 0.773364 O\n0.388056 0.881901 0.726626 O\n0.888061 0.881899 0.226629 O\n",
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"formula_full": "Li4 V2 Fe2 P4 H4 O20",
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"energy": -262.18089297,
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},
{
"id": "mp-1177767",
"created_at": "2022-09-04T14:42:53.724764Z",
"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n5.449061 0.003635 -0.044674\n-2.071380 7.105945 0.015565\n1.975403 3.205029 9.433221\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.022446 0.451819 0.373701 Li\n0.522321 0.952374 0.873152 Li\n0.477676 0.047621 0.126864 Li\n0.977570 0.548192 0.626312 Li\n0.500031 0.000066 0.499935 V\n0.000092 0.499932 0.000033 V\n0.999967 0.999984 0.000068 Fe\n0.500023 0.500059 0.499883 Fe\n0.023252 0.892583 0.336771 P\n0.522119 0.392908 0.837508 P\n0.477784 0.607122 0.162530 P\n0.976724 0.107395 0.663205 P\n0.879564 0.157385 0.180197 H\n0.379820 0.660530 0.680668 H\n0.620221 0.339513 0.319339 H\n0.120457 0.842618 0.819774 H\n0.626263 0.302378 0.419454 O\n0.130513 0.806491 0.919230 O\n0.869547 0.193547 0.080751 O\n0.373689 0.697615 0.580554 O\n0.842465 0.014898 0.362207 O\n0.341584 0.516607 0.862694 O\n0.658222 0.483532 0.137375 O\n0.157561 0.985065 0.637779 O\n0.193483 0.507990 0.153139 O\n0.691801 0.008308 0.654648 O\n0.308100 0.991623 0.345362 O\n0.806536 0.491977 0.846799 O\n0.065308 0.885271 0.182778 O\n0.565022 0.387559 0.683097 O\n0.435120 0.612332 0.316985 O\n0.934598 0.114654 0.817197 O\n0.898001 0.674929 0.441577 O\n0.398390 0.176086 0.941923 O\n0.601674 0.823868 0.058104 O\n0.102055 0.325171 0.558408 O\n",
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"formula_full": "Li4 V2 Fe2 P4 H4 O20",
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{
"id": "mp-760297",
"created_at": "2022-09-04T14:46:41.246029Z",
"structure_string": "Li3 V3 Fe3 P6 H6 O30\n1.0\n12.637389 -7.122033 0.002876\n2.572836 5.070539 4.679105\n-0.703467 -2.013534 4.753639\nLi V Fe P H O\n3 3 3 6 6 30\ndirect\n0.187416 0.036708 0.741314 Li\n0.478501 0.630465 0.592436 Li\n0.812878 0.964483 0.259375 Li\n0.166460 0.660003 0.338071 V\n0.499193 0.006068 0.996474 V\n0.833683 0.338418 0.662573 V\n0.999827 0.999480 0.000833 Fe\n0.333259 0.333163 0.666941 Fe\n0.666414 0.662492 0.334066 Fe\n0.042723 0.266024 0.406512 P\n0.291750 0.066555 0.256316 P\n0.374486 0.599947 0.077769 P\n0.623907 0.398989 0.926501 P\n0.708496 0.938518 0.742789 P\n0.957357 0.732785 0.594693 P\n0.096145 0.744668 0.902661 H\n0.231413 0.564308 0.782930 H\n0.435320 0.102397 0.551175 H\n0.569610 0.920365 0.431959 H\n0.770289 0.427095 0.218720 H\n0.903835 0.255157 0.099114 H\n0.058160 0.130959 0.232764 O\n0.073261 0.181528 0.688159 O\n0.062201 0.686084 0.587095 O\n0.101556 0.453245 0.270990 O\n0.265371 0.144542 0.966935 O\n0.110522 0.825748 0.020533 O\n0.230895 0.506960 0.631808 O\n0.274862 0.204239 0.429548 O\n0.395673 0.015303 0.258082 O\n0.228401 0.888281 0.400518 O\n0.270810 0.651253 0.076126 O\n0.391832 0.462937 0.903622 O\n0.435428 0.159495 0.702526 O\n0.401286 0.521820 0.366703 O\n0.438183 0.778436 0.933661 O\n0.564632 0.212991 0.063634 O\n0.592608 0.484750 0.645879 O\n0.555555 0.839336 0.313678 O\n0.609623 0.536475 0.097173 O\n0.728012 0.350045 0.917198 O\n0.771470 0.115810 0.593715 O\n0.603716 0.984231 0.740347 O\n0.725532 0.799109 0.571937 O\n0.772571 0.487867 0.366060 O\n0.889472 0.173444 0.982113 O\n0.734644 0.864063 0.031054 O\n0.898439 0.546429 0.730037 O\n0.938212 0.312454 0.414402 O\n0.926879 0.817576 0.312782 O\n0.942037 0.868763 0.767208 O\n",
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"formula_full": "Li3 V3 Fe3 P6 H6 O30",
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{
"id": "mp-1177766",
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"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n6.948869 0.000000 0.000000\n-0.114685 7.527058 0.000000\n-0.279098 -3.626885 6.981360\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.161160 0.585923 0.763176 Li\n0.338634 0.913948 0.735964 Li\n0.660938 0.085911 0.263807 Li\n0.839371 0.414199 0.237146 Li\n0.000035 0.000429 0.999927 V\n0.750514 0.250015 0.750426 V\n0.249680 0.749751 0.249793 Fe\n0.499825 0.499305 0.499746 Fe\n0.596267 0.726682 0.958902 P\n0.096774 0.226768 0.458779 P\n0.903390 0.772649 0.540603 P\n0.403472 0.273691 0.041444 P\n0.041277 0.322558 0.983373 H\n0.539889 0.820036 0.480726 H\n0.458725 0.179732 0.517412 H\n0.960240 0.677910 0.018774 H\n0.055103 0.831876 0.710896 O\n0.003748 0.688817 0.347382 O\n0.445872 0.667665 0.787955 O\n0.725317 0.905236 0.977887 O\n0.082323 0.754236 0.031932 O\n0.225311 0.405723 0.476442 O\n0.417737 0.744106 0.468442 O\n0.724565 0.549364 0.929847 O\n0.503883 0.189986 0.847383 O\n0.775620 0.950281 0.570249 O\n0.223772 0.048802 0.428823 O\n0.495070 0.810659 0.151808 O\n0.275966 0.451372 0.070821 O\n0.580144 0.256088 0.528850 O\n0.773922 0.594573 0.523798 O\n0.919806 0.246199 0.971331 O\n0.275348 0.094586 0.022019 O\n0.554369 0.332579 0.211588 O\n0.997285 0.310360 0.653217 O\n0.944645 0.167986 0.289334 O\n",
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{
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"structure_string": "Li3 V1 Fe1 P2 H2 O10\n1.0\n-0.618746 -1.976889 4.937445\n5.443827 -0.011865 0.097735\n-2.080954 7.239829 0.021593\nLi V Fe P H O\n3 1 1 2 2 10\ndirect\n0.764799 0.405052 0.832809 Li\n0.206502 0.568339 0.192361 Li\n0.536362 0.865506 0.150343 Li\n0.009333 0.002348 0.506913 V\n0.996361 0.997970 0.993201 Fe\n0.673677 0.373231 0.227227 P\n0.322161 0.625089 0.764879 P\n0.332335 0.080316 0.355006 H\n0.656220 0.944099 0.652126 H\n0.838687 0.053543 0.712626 O\n0.745101 0.206144 0.368175 O\n0.311523 0.335973 0.656114 O\n0.375474 0.260961 0.093286 O\n0.862170 0.349249 0.106820 O\n0.140962 0.651692 0.893221 O\n0.619340 0.737642 0.913818 O\n0.690066 0.668158 0.333815 O\n0.255533 0.782290 0.619304 O\n0.167852 0.943638 0.284946 O\n",
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{
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