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"results": [
{
"id": "mp-777388",
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"structure_string": "Li2 V2 Fe2 P4 O16 F4\n1.0\n5.156975 0.015113 0.037720\n2.405853 2.521943 6.583961\n-1.346285 -8.109254 6.492070\nLi V Fe P O F\n2 2 2 4 16 4\ndirect\n0.553688 0.370274 0.804512 Li\n0.053747 0.870302 0.304499 Li\n0.501336 0.496691 0.498597 V\n0.001408 0.996604 0.998563 V\n0.004002 0.502659 0.002378 Fe\n0.504098 0.002778 0.502324 Fe\n0.996323 0.437654 0.320623 P\n0.496373 0.937618 0.820600 P\n0.997789 0.563720 0.678205 P\n0.497826 0.063712 0.178183 P\n0.743226 0.519342 0.389087 O\n0.243257 0.019337 0.889057 O\n0.643923 0.712963 0.888870 O\n0.143977 0.212993 0.388862 O\n0.868304 0.494241 0.170550 O\n0.368428 0.994220 0.670525 O\n0.781297 0.461210 0.664502 O\n0.281400 0.961155 0.164478 O\n0.187889 0.556325 0.345697 O\n0.687930 0.056285 0.845699 O\n0.143722 0.507075 0.828424 O\n0.643735 0.007109 0.328406 O\n0.364911 0.287113 0.103941 O\n0.864919 0.787113 0.603946 O\n0.256463 0.468083 0.617083 O\n0.756539 0.968111 0.117081 O\n0.846865 0.290425 0.966377 F\n0.346887 0.790461 0.466380 F\n0.147352 0.713056 0.028975 F\n0.647419 0.213135 0.529003 F\n",
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"formula_full": "Li2 V2 Fe2 P4 O16 F4",
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"updated_at": "2021-11-28T01:37:20.458000Z",
"spacegroup": 1
},
{
"id": "mp-764581",
"created_at": "2022-09-04T14:39:08.064228Z",
"structure_string": "Li6 V3 Fe3 P6 O24 F6\n1.0\n5.224733 0.000000 0.000000\n-2.378356 7.019857 0.000000\n-0.638746 -1.373719 14.941114\nLi V Fe P O F\n6 3 3 6 24 6\ndirect\n0.935707 0.016538 0.204782 Li\n0.731073 0.649220 0.461548 Li\n0.396879 0.315738 0.128195 Li\n0.603121 0.684262 0.871805 Li\n0.268927 0.350780 0.538452 Li\n0.064293 0.983462 0.795218 Li\n0.000000 0.500000 0.000000 V\n0.666503 0.666755 0.666688 V\n0.333497 0.333245 0.333312 V\n0.000000 0.000000 0.000000 Fe\n0.666867 0.166807 0.666651 Fe\n0.333133 0.833193 0.333349 Fe\n0.891040 0.451728 0.213733 P\n0.775753 0.214894 0.453212 P\n0.557191 0.117399 0.880035 P\n0.442809 0.882601 0.119965 P\n0.224247 0.785106 0.546788 P\n0.108960 0.548272 0.786267 P\n0.987600 0.347722 0.737342 O\n0.861312 0.210803 0.553268 O\n0.761570 0.001782 0.887958 O\n0.654040 0.014237 0.403994 O\n0.805487 0.457597 0.113857 O\n0.952248 0.670266 0.583963 O\n0.907589 0.665672 0.778535 O\n0.618539 0.336670 0.250344 O\n0.677220 0.318264 0.928802 O\n0.574401 0.332197 0.445178 O\n0.472207 0.123192 0.780354 O\n0.714043 0.996358 0.081546 O\n0.285957 0.003642 0.918454 O\n0.527793 0.876808 0.219646 O\n0.425599 0.667803 0.554822 O\n0.322780 0.681736 0.071198 O\n0.381461 0.663330 0.749656 O\n0.092411 0.334328 0.221465 O\n0.047752 0.329734 0.416037 O\n0.194513 0.542403 0.886143 O\n0.345960 0.985763 0.596006 O\n0.238430 0.998218 0.112042 O\n0.138688 0.789197 0.446732 O\n0.012400 0.652278 0.262658 O\n0.846292 0.714070 0.975794 F\n0.820709 0.955180 0.690732 F\n0.512830 0.378275 0.642478 F\n0.487170 0.621725 0.357522 F\n0.179291 0.044820 0.309268 F\n0.153708 0.285930 0.024206 F\n",
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"elements": [
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"density": 3.169074092449063,
"density_atomic": 0.08759229211464656,
"volume": 547.9934231789989,
"volume_molar": 6.875194854037871,
"formula_full": "Li6 V3 Fe3 P6 O24 F6",
"formula_reduced": "Li2VFeP2(O4F)2",
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"updated_at": "2021-11-28T01:34:44.331000Z",
"spacegroup": 2
},
{
"id": "mp-1177823",
"created_at": "2022-09-04T14:42:19.116055Z",
"structure_string": "Li4 V2 Fe2 P4 H4 O20\n1.0\n5.433073 0.000000 0.000000\n-2.056847 7.095623 0.000000\n-1.954744 -3.227232 9.470224\nLi V Fe P H O\n4 2 2 4 4 20\ndirect\n0.475709 0.050552 0.872965 Li\n0.975900 0.549819 0.373345 Li\n0.024100 0.450181 0.626655 Li\n0.524291 0.949448 0.127035 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.476343 0.606137 0.838021 P\n0.023837 0.894220 0.661896 P\n0.976163 0.105780 0.338104 P\n0.523657 0.393863 0.161979 P\n0.621492 0.342582 0.680463 H\n0.121328 0.839374 0.180948 H\n0.878672 0.160626 0.819052 H\n0.378508 0.657418 0.319537 H\n0.869912 0.196507 0.918501 O\n0.369415 0.694175 0.419001 O\n0.658659 0.483866 0.863560 O\n0.308459 0.995919 0.654719 O\n0.159869 0.983353 0.363094 O\n0.809287 0.493676 0.153641 O\n0.434475 0.613756 0.684111 O\n0.602243 0.823875 0.943169 O\n0.933306 0.113952 0.185040 O\n0.101886 0.322974 0.443753 O\n0.898114 0.677026 0.556247 O\n0.066694 0.886048 0.814960 O\n0.397757 0.176125 0.056831 O\n0.565525 0.386244 0.315889 O\n0.190713 0.506324 0.846359 O\n0.840131 0.016647 0.636906 O\n0.691541 0.004081 0.345281 O\n0.341341 0.516134 0.136440 O\n0.630585 0.305825 0.580999 O\n0.130088 0.803493 0.081499 O\n",
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"elements": [
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"chemical_system": "Fe-H-Li-O-P-V",
"density": 3.134950492483886,
"density_atomic": 0.09860664352790005,
"volume": 365.08696282531974,
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"formula_full": "Li4 V2 Fe2 P4 H4 O20",
"formula_reduced": "Li2VFeP2(HO5)2",
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"updated_at": "2021-11-28T01:35:42.651000Z",
"spacegroup": 2
},
{
"id": "mp-760163",
"created_at": "2022-09-04T14:41:54.199314Z",
"structure_string": "Li2 V2 Fe2 P4 H4 O20\n1.0\n5.209476 0.000000 0.000000\n-1.942904 7.161667 0.000000\n-1.796619 -2.967145 9.644068\nLi V Fe P H O\n2 2 2 4 4 20\ndirect\n0.352344 0.126043 0.280641 Li\n0.647656 0.873957 0.719359 Li\n0.744010 0.743791 0.248441 V\n0.255990 0.256209 0.751559 V\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.614223 0.288169 0.064957 P\n0.888789 0.205196 0.436370 P\n0.111211 0.794804 0.563630 P\n0.385777 0.711831 0.935043 P\n0.147392 0.793739 0.143826 H\n0.335098 0.687208 0.346585 H\n0.664902 0.312792 0.653415 H\n0.852608 0.206261 0.856174 H\n0.791254 0.157907 0.084902 O\n0.348020 0.219838 0.110598 O\n0.446624 0.715724 0.091773 O\n0.781798 0.502964 0.153546 O\n0.703898 0.998182 0.341667 O\n0.035482 0.880655 0.165374 O\n0.161815 0.266358 0.395716 O\n0.482109 0.626197 0.342262 O\n0.712849 0.338761 0.414025 O\n0.057247 0.790376 0.407331 O\n0.942753 0.209624 0.592669 O\n0.287151 0.661239 0.585975 O\n0.517891 0.373803 0.657738 O\n0.838185 0.733642 0.604284 O\n0.964518 0.119345 0.834626 O\n0.296102 0.001818 0.658333 O\n0.218202 0.497036 0.846454 O\n0.553376 0.284276 0.908227 O\n0.651980 0.780162 0.889402 O\n0.208746 0.842093 0.915098 O\n",
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"formula_full": "Li2 V2 Fe2 P4 H4 O20",
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{
"id": "mp-759528",
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"structure_string": "Li3 V3 Fe3 P6 H6 O30\n1.0\n-6.905450 0.000000 0.000000\n-0.075823 -7.483836 0.000000\n3.332674 1.760974 10.460811\nLi V Fe P H O\n3 3 3 6 6 30\ndirect\n0.250837 0.311586 0.158891 Li\n0.083492 0.353435 0.507092 Li\n0.749319 0.687987 0.839977 Li\n0.169187 0.333041 0.834372 V\n0.829031 0.664410 0.166414 V\n0.502417 0.000119 0.501061 V\n0.666052 0.331173 0.332734 Fe\n0.331006 0.672741 0.665885 Fe\n0.999438 0.998180 0.999393 Fe\n0.054973 0.073121 0.300250 P\n0.613293 0.258015 0.031079 P\n0.278777 0.592565 0.365110 P\n0.721436 0.406231 0.635683 P\n0.386873 0.740628 0.967480 P\n0.945606 0.924847 0.699637 P\n0.042691 0.669222 0.018581 H\n0.689647 0.998239 0.341201 H\n0.375678 0.336716 0.684809 H\n0.642617 0.666976 0.325760 H\n0.308803 0.002540 0.658422 H\n0.956677 0.329954 0.981407 H\n0.140697 0.079147 0.188225 O\n0.227790 0.088777 0.429498 O\n0.105573 0.579245 0.235857 O\n0.082178 0.100865 0.721548 O\n0.521361 0.269953 0.142488 O\n0.739236 0.091022 0.021021 O\n0.194123 0.584351 0.477343 O\n0.597357 0.084711 0.369813 O\n0.402155 0.422900 0.344832 O\n0.756260 0.429957 0.050502 O\n0.072784 0.255516 0.972137 O\n0.561829 0.746061 0.094512 O\n0.258732 0.410129 0.693904 O\n0.074756 0.759896 0.685818 O\n0.417340 0.764750 0.386649 O\n0.576242 0.237806 0.615616 O\n0.930494 0.242275 0.320422 O\n0.735626 0.581154 0.296918 O\n0.438991 0.254979 0.903654 O\n0.926626 0.743595 0.027216 O\n0.244571 0.568061 0.948133 O\n0.600424 0.577843 0.652281 O\n0.399604 0.915351 0.629070 O\n0.811981 0.396821 0.524284 O\n0.260559 0.907480 0.977910 O\n0.478199 0.725883 0.855577 O\n0.917336 0.900028 0.278487 O\n0.893274 0.419746 0.765565 O\n0.770770 0.920107 0.573022 O\n0.857964 0.921593 0.811643 O\n",
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"formula_full": "Li3 V3 Fe3 P6 H6 O30",
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{
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"structure_string": "Li6 V3 Fe3 P6 H6 O30\n1.0\n5.436108 0.000000 0.000000\n-2.074880 7.108811 0.000000\n-1.226806 -1.306806 14.225982\nLi V Fe P H O\n6 3 3 6 6 30\ndirect\n0.684467 0.258904 0.082066 Li\n0.648942 0.074043 0.251273 Li\n0.351058 0.925957 0.748727 Li\n0.315533 0.741096 0.917934 Li\n0.018266 0.591545 0.416236 Li\n0.981734 0.408455 0.583764 Li\n0.833830 0.833523 0.833011 V\n0.500000 0.000000 0.500000 V\n0.166170 0.166477 0.166989 V\n0.833138 0.333377 0.833359 Fe\n0.500000 0.500000 0.500000 Fe\n0.166862 0.666623 0.166641 Fe\n0.635068 0.507105 0.275037 P\n0.697974 0.826025 0.058804 P\n0.302026 0.173975 0.941196 P\n0.364932 0.492895 0.724963 P\n0.969775 0.839801 0.607283 P\n0.030225 0.160199 0.392717 P\n0.772023 0.051292 0.713011 H\n0.562074 0.279947 0.619910 H\n0.227977 0.948708 0.286989 H\n0.437926 0.720053 0.380090 H\n0.104900 0.384333 0.046345 H\n0.895100 0.615667 0.953655 H\n0.703738 0.884857 0.956961 O\n0.790207 0.008368 0.128972 O\n0.796483 0.969801 0.590900 O\n0.742272 0.055711 0.398416 O\n0.731580 0.055489 0.779366 O\n0.590675 0.275167 0.934810 O\n0.543020 0.325015 0.204426 O\n0.626133 0.448039 0.377046 O\n0.601810 0.277850 0.553531 O\n0.209793 0.991632 0.871028 O\n0.296262 0.115143 0.043039 O\n0.268420 0.944511 0.220634 O\n0.538084 0.361583 0.741692 O\n0.461916 0.638417 0.258308 O\n0.257728 0.944289 0.601584 O\n0.409325 0.724833 0.065190 O\n0.203517 0.030199 0.409100 O\n0.128906 0.305384 0.924682 O\n0.398190 0.722150 0.446469 O\n0.373867 0.551961 0.622954 O\n0.456980 0.674985 0.795574 O\n0.065037 0.388554 0.112827 O\n0.034440 0.216564 0.290267 O\n0.120170 0.343192 0.462231 O\n0.076410 0.391872 0.731357 O\n0.934963 0.611446 0.887173 O\n0.923590 0.608128 0.268643 O\n0.871094 0.694616 0.075318 O\n0.879830 0.656808 0.537769 O\n0.965560 0.783436 0.709733 O\n",
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"formula_full": "Li6 V3 Fe3 P6 H6 O30",
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},
{
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"structure_string": "Li1 V1 Fe1 P2 H2 O10\n1.0\n5.216535 0.000000 0.000000\n-0.729339 5.250479 0.000000\n-1.945631 -2.851309 6.569425\nLi V Fe P H O\n1 1 1 2 2 10\ndirect\n0.619324 0.254504 0.154859 Li\n0.494493 0.493016 0.504243 V\n0.008579 0.009891 0.995766 Fe\n0.088261 0.414489 0.229434 P\n0.902400 0.581576 0.774099 P\n0.297108 0.590954 0.348631 H\n0.694461 0.378353 0.657197 H\n0.429026 0.257033 0.714589 O\n0.893465 0.429723 0.378560 O\n0.070850 0.007996 0.650243 O\n0.552969 0.674844 0.074748 O\n0.972644 0.534293 0.130208 O\n0.978990 0.439774 0.891369 O\n0.442859 0.313777 0.926220 O\n0.948551 0.997926 0.343425 O\n0.115909 0.577924 0.619927 O\n0.560881 0.764600 0.283943 O\n",
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