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{
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{
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{
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{
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"structure_string": "Sc6 Mn4 Ni8\n1.0\n-3.496917 -3.455827 -0.091726\n-0.062536 3.425653 -3.427173\n7.042413 -7.142961 -7.022641\nSc Mn Ni\n6 4 8\ndirect\n0.334523 0.662762 0.916127 Sc\n0.004200 0.005512 0.249466 Sc\n0.668917 0.332897 0.582820 Sc\n0.331083 0.667103 0.667180 Sc\n0.995800 0.994488 0.000534 Sc\n0.665477 0.337238 0.333873 Sc\n0.500000 0.500000 0.125000 Mn\n0.167108 0.833059 0.458619 Mn\n0.832892 0.166941 0.791381 Mn\n0.500000 0.000000 0.125000 Mn\n0.166544 0.332978 0.459197 Ni\n0.833456 0.667022 0.790803 Ni\n0.338009 0.673726 0.291308 Ni\n0.000000 0.000000 0.625000 Ni\n0.661991 0.326274 0.958692 Ni\n0.000000 0.500000 0.125000 Ni\n0.666164 0.832599 0.458835 Ni\n0.333836 0.167401 0.791165 Ni\n",
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{
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"structure_string": "Li4 Ag4 F12\n1.0\n5.494177 -0.015740 -0.004888\n0.037863 5.640270 0.007801\n-0.367900 -0.023380 8.373033\nLi Ag F\n4 4 12\ndirect\n0.027570 0.018342 0.270010 Li\n0.473096 0.516951 0.229354 Li\n0.526904 0.483049 0.770646 Li\n0.972430 0.981658 0.729990 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.153383 0.161957 0.551857 F\n0.181266 0.136724 0.890361 F\n0.165547 0.338645 0.215803 F\n0.316420 0.638086 0.610873 F\n0.345481 0.662556 0.949477 F\n0.336635 0.838698 0.284257 F\n0.663365 0.161302 0.715743 F\n0.654519 0.337444 0.050523 F\n0.683580 0.361914 0.389127 F\n0.834453 0.661355 0.784197 F\n0.818734 0.863276 0.109639 F\n0.846617 0.838043 0.448143 F\n",
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{
"id": "mp-728573",
"created_at": "2022-09-04T14:44:30.025184Z",
"structure_string": "Sr4 Si4 O8 F24\n1.0\n9.913981 0.000000 0.000000\n0.000000 6.025548 0.000000\n0.000000 4.703628 10.433326\nSr Si O F\n4 4 8 24\ndirect\n0.277453 0.784638 0.051124 Sr\n0.777453 0.215362 0.448876 Sr\n0.722547 0.215362 0.948876 Sr\n0.222547 0.784638 0.551124 Sr\n0.470723 0.139772 0.245106 Si\n0.970723 0.860228 0.254894 Si\n0.529277 0.860228 0.754894 Si\n0.029277 0.139772 0.745106 Si\n0.330845 0.403918 0.492010 O\n0.830845 0.596082 0.007990 O\n0.669155 0.596082 0.507990 O\n0.169155 0.403918 0.992010 O\n0.067006 0.187348 0.397443 O\n0.567006 0.812652 0.102557 O\n0.932994 0.812652 0.602557 O\n0.432994 0.187348 0.897443 O\n0.379706 0.010355 0.382948 F\n0.879706 0.989645 0.117052 F\n0.620294 0.989645 0.617052 F\n0.120294 0.010355 0.882948 F\n0.363442 0.009925 0.171056 F\n0.863442 0.990075 0.328944 F\n0.636558 0.990075 0.828944 F\n0.136558 0.009925 0.671056 F\n0.367772 0.389381 0.195187 F\n0.867772 0.610619 0.304813 F\n0.632228 0.610619 0.804813 F\n0.132228 0.389381 0.695187 F\n0.076821 0.727468 0.184814 F\n0.576821 0.272532 0.315186 F\n0.923179 0.272532 0.815186 F\n0.423179 0.727468 0.684814 F\n0.070280 0.114186 0.207447 F\n0.570280 0.885814 0.292553 F\n0.929720 0.885814 0.792553 F\n0.429720 0.114186 0.707447 F\n0.062828 0.729603 0.395441 F\n0.562828 0.270397 0.104559 F\n0.937172 0.270397 0.604559 F\n0.437172 0.729603 0.895441 F\n",
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"formula_full": "Sr4 Si4 O8 F24",
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{
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"created_at": "2022-09-04T14:44:30.041765Z",
"structure_string": "K2 Hg1 Au1 F6\n1.0\n0.000000 4.550719 4.550719\n4.550719 0.000000 4.550719\n4.550719 4.550719 0.000000\nK Hg Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n0.752577 0.247423 0.247423 F\n0.247423 0.247423 0.752577 F\n0.247423 0.752577 0.752577 F\n0.247423 0.752577 0.247423 F\n0.752577 0.247423 0.752577 F\n0.752577 0.752577 0.247423 F\n",
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{
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"structure_string": "Zr2 Mn2 Ni2\n1.0\n-3.535195 0.003962 -3.544361\n3.535195 -3.544361 0.003962\n-3.535195 -3.544361 0.003962\nZr Mn Ni\n2 2 2\ndirect\n0.500000 0.748717 0.751283 Zr\n0.000000 0.001283 0.998717 Zr\n0.750000 0.375000 0.875000 Mn\n0.250000 0.375000 0.375000 Mn\n0.250000 0.875000 0.375000 Ni\n0.750000 0.375000 0.375000 Ni\n",
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{
"id": "mp-770652",
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"structure_string": "Li6 Cr18 O54\n1.0\n10.701394 7.247634 0.000000\n-10.701394 7.247634 0.000000\n0.000000 6.273597 8.371105\nLi Cr O\n6 18 54\ndirect\n0.669607 0.823835 0.503107 Li\n0.823835 0.669607 0.003107 Li\n0.158204 0.335738 0.003902 Li\n0.012901 0.525629 0.467450 Li\n0.335738 0.158204 0.503902 Li\n0.525629 0.012901 0.967450 Li\n0.907033 0.841222 0.188668 Cr\n0.841222 0.907033 0.688668 Cr\n0.827977 0.432160 0.295280 Cr\n0.490716 0.763360 0.304220 Cr\n0.432160 0.827977 0.795280 Cr\n0.763360 0.490716 0.804220 Cr\n0.171057 0.881838 0.203972 Cr\n0.811436 0.181051 0.258276 Cr\n0.462753 0.499480 0.278928 Cr\n0.881838 0.171057 0.703972 Cr\n0.181051 0.811436 0.758276 Cr\n0.267576 0.536422 0.152266 Cr\n0.499480 0.462753 0.778928 Cr\n0.597742 0.194584 0.152056 Cr\n0.536422 0.267576 0.652266 Cr\n0.194584 0.597742 0.652056 Cr\n0.132790 0.073687 0.340878 Cr\n0.073687 0.132790 0.840878 Cr\n0.951074 0.990326 0.018487 O\n0.990326 0.951074 0.518487 O\n0.839740 0.839014 0.352755 O\n0.825975 0.713459 0.183585 O\n0.839014 0.839740 0.852755 O\n0.951336 0.520857 0.301760 O\n0.713459 0.825975 0.683585 O\n0.612160 0.834563 0.324431 O\n0.500345 0.841972 0.138052 O\n0.826159 0.496855 0.133798 O\n0.520857 0.951336 0.801760 O\n0.310139 0.918436 0.074744 O\n0.834563 0.612160 0.824431 O\n0.952366 0.268457 0.093115 O\n0.611158 0.568020 0.136568 O\n0.841972 0.500345 0.638052 O\n0.496855 0.826159 0.633798 O\n0.202474 0.000132 0.258493 O\n0.918436 0.310139 0.574744 O\n0.268457 0.952366 0.593115 O\n0.568020 0.611158 0.636568 O\n0.000132 0.202474 0.758493 O\n0.799814 0.266468 0.351046 O\n0.450361 0.595013 0.354953 O\n0.080868 0.890686 0.117722 O\n0.674922 0.378135 0.467773 O\n0.337315 0.713535 0.472620 O\n0.266468 0.799814 0.851046 O\n0.595013 0.450361 0.854953 O\n0.890686 0.080868 0.617722 O\n0.378135 0.674922 0.967773 O\n0.713535 0.337315 0.972620 O\n0.356448 0.472949 0.207066 O\n0.681893 0.135090 0.223517 O\n0.790458 0.047249 0.376764 O\n0.092554 0.737125 0.359154 O\n0.199928 0.569629 0.279628 O\n0.510804 0.217645 0.277927 O\n0.472949 0.356448 0.707066 O\n0.412801 0.358849 0.421067 O\n0.135090 0.681893 0.723517 O\n0.047249 0.790458 0.876764 O\n0.737125 0.092554 0.859154 O\n0.569629 0.199928 0.779628 O\n0.506392 0.088543 0.126207 O\n0.158328 0.430438 0.144463 O\n0.217645 0.510804 0.777927 O\n0.358849 0.412801 0.921067 O\n0.088543 0.506392 0.626207 O\n0.430438 0.158328 0.644463 O\n0.233716 0.165104 0.371620 O\n0.105524 0.159078 0.219304 O\n0.165104 0.233716 0.871620 O\n0.159078 0.105524 0.719304 O\n",
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{
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"structure_string": "Na1 Mg6 Bi1 O8\n1.0\n8.906477 0.000000 0.000000\n0.000000 4.470977 0.000000\n0.000000 0.000000 4.470977\nNa Mg Bi O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.266047 0.000000 0.500000 Mg\n0.733953 0.000000 0.500000 Mg\n0.266047 0.500000 0.000000 Mg\n0.733953 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Bi\n0.269579 0.000000 0.000000 O\n0.730421 0.000000 0.000000 O\n0.269657 0.500000 0.500000 O\n0.730343 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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},
{
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"structure_string": "H32 Au2 C24 S4 N6 O8\n1.0\n5.902412 0.000000 0.000000\n-1.520488 9.061487 0.000000\n-1.905361 -4.128313 16.095752\nH Au C S N O\n32 2 24 4 6 8\ndirect\n0.933336 0.914290 0.292309 H\n0.066664 0.085710 0.707691 H\n0.890673 0.949639 0.396878 H\n0.109327 0.050361 0.603122 H\n0.276740 0.775844 0.934886 H\n0.723260 0.224156 0.065114 H\n0.077396 0.627653 0.952434 H\n0.922604 0.372347 0.047566 H\n0.378897 0.399715 0.353608 H\n0.621103 0.600285 0.646392 H\n0.325802 0.539367 0.440912 H\n0.674198 0.460633 0.559088 H\n0.131258 0.357286 0.404120 H\n0.868742 0.642714 0.595880 H\n0.111782 0.344814 0.218098 H\n0.888218 0.655186 0.781902 H\n0.880598 0.295500 0.274737 H\n0.119402 0.704500 0.725263 H\n0.865057 0.436174 0.215703 H\n0.134943 0.563826 0.784297 H\n0.814144 0.490843 0.393010 H\n0.185856 0.509157 0.606990 H\n0.012951 0.671315 0.427981 H\n0.987049 0.328685 0.572019 H\n0.818966 0.628310 0.330601 H\n0.181034 0.371690 0.669399 H\n0.147723 0.687706 0.264593 H\n0.852277 0.312294 0.735407 H\n0.358503 0.716311 0.356689 H\n0.641497 0.283689 0.643311 H\n0.372891 0.578492 0.262801 H\n0.627109 0.421508 0.737199 H\n0.115761 0.982892 0.149634 Au\n0.884239 0.017108 0.850366 Au\n0.404750 0.083521 0.337731 C\n0.595250 0.916479 0.662269 C\n0.213890 0.038943 0.378135 C\n0.786110 0.961057 0.621865 C\n0.608675 0.776076 0.073348 C\n0.391325 0.223924 0.926652 C\n0.387138 0.689818 0.031530 C\n0.612862 0.310182 0.968470 C\n0.548999 0.167013 0.418141 C\n0.451001 0.832987 0.581859 C\n0.348928 0.116193 0.460915 C\n0.651072 0.883807 0.539085 C\n0.610149 0.687583 0.136913 C\n0.389851 0.312417 0.863087 C\n0.376012 0.592624 0.091060 C\n0.623988 0.407376 0.908940 C\n0.246004 0.446995 0.386112 C\n0.753996 0.553005 0.613888 C\n0.980901 0.387434 0.253687 C\n0.019099 0.612566 0.746313 C\n0.922672 0.581423 0.373465 C\n0.077328 0.418577 0.626535 C\n0.257191 0.633153 0.301279 C\n0.742809 0.366847 0.698721 C\n0.463832 0.061183 0.239560 S\n0.536168 0.938817 0.760440 S\n0.783539 0.922837 0.052023 S\n0.216461 0.077163 0.947977 S\n0.997791 0.962355 0.353684 N\n0.002209 0.037645 0.646316 N\n0.243145 0.692162 0.965297 N\n0.756855 0.307838 0.034703 N\n0.101679 0.512159 0.328432 N\n0.898321 0.487841 0.671568 N\n0.744833 0.250021 0.440638 O\n0.255167 0.749979 0.559362 O\n0.311575 0.134260 0.533706 O\n0.688425 0.865740 0.466294 O\n0.742786 0.692177 0.200731 O\n0.257214 0.307823 0.799269 O\n0.235616 0.483044 0.098940 O\n0.764384 0.516956 0.901060 O\n",
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],
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"formula_full": "H32 Au2 C24 S4 N6 O8",
"formula_reduced": "H16AuC12S2N3O4",
"formula_anonymous": "AB2C3D4E12F16",
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"updated_at": "2021-11-28T01:36:46.571000Z",
"spacegroup": 2
},
{
"id": "mp-5824",
"created_at": "2022-09-04T14:44:30.207963Z",
"structure_string": "Hg8 N4 O16\n1.0\n6.811404 0.000000 0.000000\n0.000000 5.669043 0.000000\n0.000000 1.409695 12.128389\nHg N O\n8 4 16\ndirect\n0.194720 0.504075 0.258520 Hg\n0.694720 0.495925 0.241480 Hg\n0.805280 0.495925 0.741480 Hg\n0.305280 0.504075 0.758520 Hg\n0.510078 0.176626 0.558117 Hg\n0.010078 0.823374 0.941883 Hg\n0.489922 0.823374 0.441883 Hg\n0.989922 0.176626 0.058117 Hg\n0.023187 0.038944 0.639774 N\n0.523187 0.961056 0.860226 N\n0.476813 0.038944 0.139774 N\n0.976813 0.961056 0.360226 N\n0.370609 0.969623 0.798099 O\n0.870609 0.030377 0.701901 O\n0.629391 0.030377 0.201901 O\n0.129391 0.969623 0.298099 O\n0.955577 0.486097 0.149624 O\n0.455577 0.513903 0.350376 O\n0.044423 0.513903 0.850376 O\n0.544423 0.486097 0.649624 O\n0.395962 0.238892 0.111255 O\n0.895962 0.761108 0.388745 O\n0.104038 0.238892 0.611255 O\n0.604038 0.761108 0.888745 O\n0.410923 0.851122 0.107975 O\n0.910923 0.148878 0.392025 O\n0.589077 0.148878 0.892025 O\n0.089077 0.851122 0.607975 O\n",
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"formula_full": "Hg8 N4 O16",
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}
]
}