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{
"id": "mp-1228070",
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"formula_full": "Bi20 P12 O60",
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"formula_anonymous": "A3B5C15",
"energy": -646.89191181,
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},
{
"id": "mp-783909",
"created_at": "2022-09-04T14:46:38.528386Z",
"structure_string": "Li8 Mn4 Si4 O16\n1.0\n11.010154 0.000000 0.000000\n0.000000 5.135801 0.000000\n0.000000 5.015875 6.375009\nLi Mn Si O\n8 4 4 16\ndirect\n0.660794 0.688417 0.501365 Li\n0.427452 0.466252 0.736728 Li\n0.927452 0.533748 0.763272 Li\n0.160794 0.311583 0.998635 Li\n0.839206 0.688417 0.001365 Li\n0.072548 0.466252 0.236728 Li\n0.572548 0.533748 0.263272 Li\n0.339206 0.311583 0.498635 Li\n0.835213 0.198947 0.496672 Mn\n0.335213 0.801053 0.003328 Mn\n0.664787 0.198947 0.996672 Mn\n0.164787 0.801053 0.503328 Mn\n0.086382 0.057755 0.752516 Si\n0.586382 0.942245 0.747484 Si\n0.413618 0.057755 0.252516 Si\n0.913618 0.942245 0.247484 Si\n0.159549 0.180706 0.535470 O\n0.657045 0.262703 0.538045 O\n0.446509 0.059276 0.744556 O\n0.085846 0.372799 0.759858 O\n0.585846 0.627201 0.740142 O\n0.946509 0.940724 0.755444 O\n0.157045 0.737297 0.961955 O\n0.659549 0.819294 0.964530 O\n0.340451 0.180706 0.035470 O\n0.842955 0.262703 0.038045 O\n0.053491 0.059276 0.244556 O\n0.414154 0.372799 0.259858 O\n0.914154 0.627201 0.240142 O\n0.553491 0.940724 0.255444 O\n0.342955 0.737297 0.461955 O\n0.840451 0.819294 0.464530 O\n",
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"elements": [
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"formula_full": "Li8 Mn4 Si4 O16",
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"spacegroup": 14
},
{
"id": "mp-1372476",
"created_at": "2022-09-04T14:46:38.545619Z",
"structure_string": "Mg2 V4 S10\n1.0\n3.921101 0.000000 0.000000\n0.000000 5.982388 0.000000\n0.000000 0.000000 14.381710\nMg V S\n2 4 10\ndirect\n0.500000 0.634475 0.000000 Mg\n0.000000 0.365525 0.500000 Mg\n0.000000 0.082580 0.847662 V\n0.500000 0.917420 0.652338 V\n0.500000 0.917420 0.347662 V\n0.000000 0.082580 0.152338 V\n0.500000 0.073663 0.500000 S\n0.000000 0.926337 0.000000 S\n0.500000 0.880568 0.819599 S\n0.000000 0.119432 0.680401 S\n0.500000 0.880568 0.180401 S\n0.000000 0.119432 0.319599 S\n0.000000 0.423463 0.109565 S\n0.500000 0.576537 0.390435 S\n0.500000 0.576537 0.609565 S\n0.000000 0.423463 0.890435 S\n",
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{
"id": "mp-772502",
"created_at": "2022-09-04T14:46:38.574742Z",
"structure_string": "Li8 Fe8 Si16 O48\n1.0\n5.242964 0.000000 0.000000\n-0.001445 9.072040 0.000000\n-0.064749 -0.002268 18.465244\nLi Fe Si O\n8 8 16 48\ndirect\n0.619285 0.001317 0.875774 Li\n0.117914 0.500500 0.876142 Li\n0.119181 0.342577 0.625977 Li\n0.118761 0.011017 0.623719 Li\n0.380256 0.510329 0.376811 Li\n0.381465 0.843251 0.375388 Li\n0.380207 0.353943 0.124524 Li\n0.881622 0.148410 0.124604 Li\n0.612786 0.641749 0.874735 Fe\n0.113499 0.859657 0.874844 Fe\n0.615222 0.132235 0.625593 Fe\n0.622854 0.487071 0.625779 Fe\n0.877474 0.987962 0.375146 Fe\n0.884437 0.632908 0.376732 Fe\n0.377854 0.019204 0.124458 Fe\n0.875455 0.482794 0.124369 Fe\n0.707825 0.338558 0.972420 Si\n0.208007 0.161813 0.972513 Si\n0.439727 0.338360 0.774905 Si\n0.934203 0.159012 0.772748 Si\n0.427629 0.840530 0.727059 Si\n0.928420 0.665231 0.726224 Si\n0.711903 0.836885 0.526927 Si\n0.210419 0.666443 0.526265 Si\n0.788479 0.336824 0.473682 Si\n0.290278 0.166474 0.474349 Si\n0.070798 0.343148 0.273293 Si\n0.569587 0.162640 0.274204 Si\n0.075376 0.837901 0.226338 Si\n0.580342 0.658883 0.228200 Si\n0.785462 0.831653 0.026107 Si\n0.285034 0.668193 0.025975 Si\n0.415288 0.290402 0.948268 O\n0.916162 0.210308 0.948396 O\n0.792128 0.831665 0.936245 O\n0.291342 0.668021 0.936044 O\n0.786140 0.490731 0.931202 O\n0.287556 0.009646 0.931721 O\n0.437456 0.830255 0.816485 O\n0.934565 0.670270 0.815648 O\n0.945786 0.996223 0.810060 O\n0.443251 0.503379 0.809532 O\n0.667675 0.230949 0.805379 O\n0.166307 0.267657 0.800233 O\n0.160709 0.768164 0.696495 O\n0.655912 0.734085 0.694947 O\n0.920700 0.503685 0.687876 O\n0.437449 0.004440 0.692885 O\n0.452871 0.337574 0.684948 O\n0.926197 0.157711 0.684221 O\n0.797119 0.989199 0.565787 O\n0.321377 0.524570 0.570654 O\n0.776533 0.338925 0.563583 O\n0.309666 0.152383 0.562549 O\n0.411868 0.801628 0.546934 O\n0.912545 0.704332 0.554058 O\n0.088290 0.301332 0.453469 O\n0.587813 0.204522 0.446366 O\n0.725036 0.838180 0.437118 O\n0.192066 0.653049 0.438242 O\n0.701819 0.488706 0.434901 O\n0.178977 0.025003 0.429984 O\n0.050834 0.839173 0.315262 O\n0.577101 0.658524 0.316148 O\n0.576696 0.003501 0.315389 O\n0.062155 0.504993 0.310333 O\n0.339230 0.269440 0.302190 O\n0.843692 0.232721 0.303733 O\n0.346780 0.765518 0.199327 O\n0.846321 0.732335 0.194352 O\n0.581105 0.500748 0.187190 O\n0.084297 0.998489 0.187791 O\n0.060227 0.346334 0.184854 O\n0.563363 0.152909 0.185816 O\n0.673235 0.975830 0.066741 O\n0.172330 0.524409 0.066422 O\n0.706033 0.348462 0.061136 O\n0.206341 0.151711 0.061351 O\n0.089350 0.805385 0.051023 O\n0.588542 0.695055 0.050908 O\n",
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"formula_full": "Li8 Fe8 Si16 O48",
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{
"id": "mp-1200218",
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"structure_string": "K4 Fe6 P8 H8 O32\n1.0\n0.000000 -8.378971 0.000000\n-9.191687 0.000000 1.453137\n0.030964 0.000000 -9.402612\nK Fe P H O\n4 6 8 8 32\ndirect\n0.774688 0.428579 0.018410 K\n0.274688 0.571421 0.481590 K\n0.225312 0.571421 0.981590 K\n0.725312 0.428579 0.518410 K\n0.360038 0.135218 0.995742 Fe\n0.860038 0.864782 0.504258 Fe\n0.639962 0.864782 0.004258 Fe\n0.139962 0.135218 0.495742 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.803395 0.100150 0.289340 P\n0.303395 0.899850 0.210660 P\n0.196605 0.899850 0.710660 P\n0.696605 0.100150 0.789340 P\n0.061856 0.303784 0.233386 P\n0.561856 0.696216 0.266614 P\n0.938144 0.696216 0.766614 P\n0.438144 0.303784 0.733386 P\n0.536157 0.216477 0.229708 H\n0.036157 0.783523 0.270292 H\n0.463843 0.783523 0.770292 H\n0.963843 0.216477 0.729708 H\n0.488812 0.375593 0.204170 H\n0.988812 0.624407 0.295830 H\n0.511188 0.624407 0.795830 H\n0.011188 0.375593 0.704170 H\n0.150781 0.305925 0.375681 O\n0.650781 0.694075 0.124319 O\n0.849219 0.694075 0.624319 O\n0.349219 0.305925 0.875681 O\n0.874062 0.257954 0.264076 O\n0.374062 0.742046 0.235924 O\n0.125938 0.742046 0.735924 O\n0.625938 0.257954 0.764076 O\n0.639098 0.135223 0.355242 O\n0.139098 0.864777 0.144758 O\n0.360902 0.864777 0.644758 O\n0.860902 0.135223 0.855242 O\n0.800652 0.007317 0.137309 O\n0.300652 0.992683 0.362691 O\n0.199348 0.992683 0.862691 O\n0.699348 0.007317 0.637309 O\n0.121775 0.186012 0.111058 O\n0.621775 0.813988 0.388942 O\n0.878225 0.813988 0.888942 O\n0.378225 0.186012 0.611058 O\n0.420187 0.960561 0.109768 O\n0.920187 0.039439 0.390232 O\n0.579813 0.039439 0.890232 O\n0.079813 0.960561 0.609768 O\n0.043947 0.453818 0.190314 O\n0.543947 0.546182 0.309686 O\n0.956053 0.546182 0.809686 O\n0.456053 0.453818 0.690314 O\n0.497068 0.273159 0.154629 O\n0.997068 0.726841 0.345371 O\n0.502932 0.726841 0.845371 O\n0.002932 0.273159 0.654629 O\n",
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{
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"structure_string": "Mn12 N16\n1.0\n9.850387 0.000000 0.000000\n0.000000 5.727734 0.000000\n0.000000 0.000000 4.681156\nMn N\n12 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.757525 0.250000 0.505417 Mn\n0.257525 0.250000 0.994583 Mn\n0.242475 0.750000 0.494583 Mn\n0.742475 0.750000 0.005417 Mn\n0.587350 0.250000 0.095946 Mn\n0.087350 0.250000 0.404054 Mn\n0.412650 0.750000 0.904054 Mn\n0.912650 0.750000 0.595946 Mn\n0.586377 0.250000 0.717363 N\n0.086377 0.250000 0.782637 N\n0.413623 0.750000 0.282637 N\n0.913623 0.750000 0.217363 N\n0.921553 0.250000 0.250060 N\n0.421553 0.250000 0.249940 N\n0.078447 0.750000 0.749940 N\n0.578447 0.750000 0.750060 N\n0.667801 0.004022 0.260311 N\n0.167801 0.495978 0.239689 N\n0.332199 0.504022 0.739689 N\n0.832199 0.995978 0.760311 N\n0.332199 0.995978 0.739689 N\n0.832199 0.504022 0.760311 N\n0.667801 0.495978 0.260311 N\n0.167801 0.004022 0.239689 N\n",
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{
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}