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{
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{
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{
"id": "mp-1223021",
"created_at": "2022-09-04T14:48:18.155968Z",
"structure_string": "Li8 U4 W4 O28\n1.0\n7.462410 0.000000 0.009954\n3.731205 7.164380 0.004977\n0.014154 0.000000 10.308375\nLi U W O\n8 4 4 28\ndirect\n0.788916 0.426799 0.547189 Li\n0.215715 0.573201 0.047189 Li\n0.367414 0.470407 0.529462 Li\n0.837821 0.529593 0.029462 Li\n0.359577 0.781745 0.230312 Li\n0.859509 0.783949 0.233318 Li\n0.643458 0.216051 0.733318 Li\n0.141321 0.218255 0.730312 Li\n0.508615 0.984713 0.468358 U\n0.493328 0.015287 0.968358 U\n0.033055 0.934218 0.500286 U\n0.967272 0.065782 0.000286 U\n0.603026 0.298096 0.258799 W\n0.101489 0.294773 0.263757 W\n0.396262 0.705227 0.763757 W\n0.901123 0.701904 0.758799 W\n0.152698 0.704948 0.415281 O\n0.857646 0.295052 0.915281 O\n0.405011 0.200083 0.573875 O\n0.605094 0.799917 0.073875 O\n0.605722 0.401647 0.412430 O\n0.983507 0.402809 0.411116 O\n0.386316 0.597191 0.911116 O\n0.007368 0.598353 0.912430 O\n0.381564 0.237747 0.303350 O\n0.619311 0.762253 0.803350 O\n0.444284 0.509861 0.173792 O\n0.038610 0.507661 0.170024 O\n0.546270 0.492339 0.670024 O\n0.954144 0.490139 0.673792 O\n0.766616 0.031151 0.361996 O\n0.201199 0.033648 0.360080 O\n0.234847 0.966352 0.860080 O\n0.797767 0.968849 0.861996 O\n0.610686 0.777816 0.359207 O\n0.388502 0.222184 0.859207 O\n0.923753 0.150622 0.603616 O\n0.074375 0.849378 0.103616 O\n0.865868 0.269459 0.196657 O\n0.135327 0.730541 0.696657 O\n0.654650 0.127217 0.096380 O\n0.218774 0.125549 0.094297 O\n0.344323 0.874451 0.594297 O\n0.781866 0.872783 0.596380 O\n",
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{
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"created_at": "2022-09-04T14:48:22.419454Z",
"structure_string": "Sn2 Ge2 N4\n1.0\n0.000000 0.000000 5.149639\n2.851606 3.901889 2.574819\n-2.851606 3.901889 2.574819\nSn Ge N\n2 2 4\ndirect\n0.182471 0.368467 0.368467 Sn\n0.419407 0.631533 0.631533 Sn\n0.615743 0.881977 0.881977 Ge\n0.879697 0.118023 0.118023 Ge\n0.959139 0.895822 0.895822 N\n0.250783 0.104178 0.104178 N\n0.596380 0.500000 0.000000 N\n0.596380 0.000000 0.500000 N\n",
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"formula_full": "Sn2 Ge2 N4",
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},
{
"id": "mp-1258448",
"created_at": "2022-09-04T14:48:18.163695Z",
"structure_string": "Mg8 Si14\n1.0\n15.860966 -0.024157 4.039612\n-0.005934 3.771893 0.000941\n0.258062 0.001701 6.731580\nMg Si\n8 14\ndirect\n0.927615 0.071464 0.872267 Mg\n0.514227 0.068530 0.766142 Mg\n0.364443 0.567012 0.995357 Mg\n0.663784 0.569317 0.482724 Mg\n0.842176 0.071163 0.361782 Mg\n0.190716 0.567288 0.285555 Mg\n0.424923 0.567034 0.509930 Mg\n0.583060 0.568251 0.042054 Mg\n0.945428 0.576122 0.503128 Si\n0.003362 0.566556 0.098571 Si\n0.092316 0.066935 0.123887 Si\n0.056473 0.063973 0.505512 Si\n0.558382 0.067600 0.359961 Si\n0.448661 0.067653 0.184443 Si\n0.247373 0.565795 0.676313 Si\n0.798595 0.571218 0.096271 Si\n0.699269 0.069112 0.758757 Si\n0.095185 0.563889 0.697032 Si\n0.241462 0.066202 0.923947 Si\n0.801271 0.571518 0.724343 Si\n0.701825 0.069652 0.130276 Si\n0.303045 0.067439 0.398082 Si\n",
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{
"id": "mp-1177013",
"created_at": "2022-09-04T14:48:18.167104Z",
"structure_string": "Li12 Mn2 V6 P12 O48\n1.0\n9.830624 0.000000 0.000000\n0.481708 9.827291 0.000000\n0.543347 0.864856 9.811988\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.238936 0.509194 0.984450 Li\n0.386725 0.256753 0.009562 Li\n0.460477 0.570010 0.785460 Li\n0.174693 0.733220 0.774221 Li\n0.617254 0.979280 0.749266 Li\n0.821893 0.744137 0.624361 Li\n0.755664 0.012540 0.495529 Li\n0.538962 0.220655 0.436006 Li\n0.976986 0.922655 0.300547 Li\n0.823915 0.228405 0.263046 Li\n0.179160 0.379429 0.245810 Li\n0.014611 0.695258 0.076195 Li\n0.781697 0.262812 0.969794 Mn\n0.722480 0.745466 0.021186 Mn\n0.999413 0.243280 0.750097 V\n0.218055 0.029020 0.747736 V\n0.002433 0.462794 0.532610 V\n0.500935 0.534146 0.469682 V\n0.281651 0.967783 0.250821 V\n0.507338 0.749601 0.251510 V\n0.400296 0.822819 0.951382 P\n0.907945 0.942269 0.824995 P\n0.927443 0.547066 0.840260 P\n0.301330 0.343368 0.682921 P\n0.699626 0.316129 0.656653 P\n0.429853 0.838810 0.555509 P\n0.071791 0.153304 0.446512 P\n0.807174 0.681965 0.351762 P\n0.198823 0.652629 0.316472 P\n0.572039 0.444052 0.168178 P\n0.591537 0.059902 0.180334 P\n0.094398 0.173889 0.051404 P\n0.882427 0.871348 0.967948 O\n0.553316 0.828605 0.911766 O\n0.789269 0.604450 0.888794 O\n0.328351 0.957478 0.895901 O\n0.336382 0.695599 0.905655 O\n0.924453 0.384434 0.873593 O\n0.052486 0.596494 0.906047 O\n0.123360 0.162373 0.892511 O\n0.878452 0.101506 0.829675 O\n0.668980 0.308005 0.813402 O\n0.061133 0.906464 0.783480 O\n0.346585 0.406943 0.808410 O\n0.812425 0.903050 0.717794 O\n0.943574 0.583688 0.681950 O\n0.330847 0.186740 0.688680 O\n0.140218 0.375951 0.674101 O\n0.292567 0.880565 0.625797 O\n0.552661 0.912835 0.590738 O\n0.860644 0.323138 0.620672 O\n0.634212 0.454322 0.600468 O\n0.447351 0.679299 0.593038 O\n0.653310 0.191510 0.592672 O\n0.078613 0.122618 0.605360 O\n0.366379 0.403120 0.546244 O\n0.846042 0.804037 0.426378 O\n0.139589 0.593219 0.453257 O\n0.861178 0.543155 0.414988 O\n0.417983 0.867228 0.392359 O\n0.642901 0.674697 0.378879 O\n0.942500 0.095590 0.396857 O\n0.071052 0.312187 0.409114 O\n0.204952 0.089109 0.385084 O\n0.362189 0.630418 0.327438 O\n0.158913 0.808371 0.295871 O\n0.549317 0.408638 0.326747 O\n0.653327 0.111697 0.304408 O\n0.846029 0.700899 0.199227 O\n0.618521 0.897755 0.188501 O\n0.160136 0.579926 0.193861 O\n0.433407 0.089739 0.177606 O\n0.574826 0.608272 0.139087 O\n0.376166 0.825342 0.114572 O\n0.713575 0.382837 0.129007 O\n0.939355 0.203020 0.088648 O\n0.453540 0.403067 0.091661 O\n0.131150 0.034157 0.126944 O\n0.184601 0.288299 0.085001 O\n0.655226 0.117974 0.042740 O\n",
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"volume_molar": 7.135638264367349,
"formula_full": "Li12 Mn2 V6 P12 O48",
"formula_reduced": "Li6MnV3(PO4)6",
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"spacegroup": 1
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{
"id": "mp-1030459",
"created_at": "2022-09-04T14:48:18.184502Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n1.698943 -2.942655 0.000000\n1.698943 2.942655 0.000000\n0.000000 0.000000 38.625527\nTe Mo Se S\n4 4 2 2\ndirect\n0.000000 0.000000 0.705965 Te\n0.333333 0.666667 0.045447 Te\n0.333333 0.666667 0.142424 Te\n0.000000 0.000000 0.609104 Te\n0.000000 0.000000 0.093915 Mo\n0.000000 0.000000 0.469664 Mo\n0.333333 0.666667 0.281807 Mo\n0.333333 0.666667 0.657550 Mo\n0.333333 0.666667 0.427023 Se\n0.333333 0.666667 0.512265 Se\n0.000000 0.000000 0.320653 S\n0.000000 0.000000 0.242931 S\n",
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{
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"created_at": "2022-09-04T14:48:19.642805Z",
"structure_string": "Li7 Eu3 Mo8 O32\n1.0\n6.917697 0.000000 0.000000\n2.655028 9.744251 0.000000\n1.164710 4.198623 9.953011\nLi Eu Mo O\n7 3 8 32\ndirect\n0.197318 0.397471 0.130197 Li\n0.697756 0.898061 0.129936 Li\n0.302575 0.102099 0.869904 Li\n0.803962 0.604334 0.867029 Li\n0.249844 0.750218 0.999326 Li\n0.750039 0.249988 0.999966 Li\n0.978055 0.795025 0.562124 Li\n0.475830 0.294999 0.561524 Eu\n0.521163 0.706435 0.441998 Eu\n0.024441 0.200221 0.440353 Eu\n0.090714 0.609001 0.319768 Mo\n0.594534 0.106339 0.319174 Mo\n0.407397 0.891684 0.681006 Mo\n0.908301 0.393329 0.681831 Mo\n0.364145 0.481863 0.801258 Mo\n0.865599 0.978440 0.801178 Mo\n0.134471 0.018856 0.198707 Mo\n0.634315 0.520117 0.197780 Mo\n0.695326 0.992877 0.931470 O\n0.193569 0.493745 0.931854 O\n0.805158 0.506917 0.068243 O\n0.305327 0.006699 0.068225 O\n0.336220 0.548587 0.404841 O\n0.832575 0.050698 0.403051 O\n0.166855 0.951762 0.596533 O\n0.665207 0.451240 0.594934 O\n0.141832 0.184851 0.226050 O\n0.641668 0.684774 0.224703 O\n0.357985 0.315520 0.774084 O\n0.856704 0.815864 0.777011 O\n0.398823 0.165909 0.427454 O\n0.897684 0.663555 0.425994 O\n0.102794 0.334233 0.572565 O\n0.597508 0.835319 0.572441 O\n0.310999 0.646717 0.644126 O\n0.808423 0.149625 0.641143 O\n0.193027 0.852718 0.353948 O\n0.690869 0.352223 0.357400 O\n0.052230 0.452738 0.292015 O\n0.551873 0.951980 0.291203 O\n0.448403 0.048445 0.708340 O\n0.948378 0.546108 0.707831 O\n0.110745 0.946268 0.863015 O\n0.610552 0.446720 0.862214 O\n0.389944 0.553389 0.136957 O\n0.888669 0.052932 0.137604 O\n0.064775 0.759609 0.161283 O\n0.566978 0.259034 0.161852 O\n0.433751 0.739874 0.839413 O\n0.934687 0.240591 0.839143 O\n",
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{
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{
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{
"id": "mp-760051",
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"structure_string": "Mn12 O4 F24\n1.0\n-4.832111 -0.016264 -0.030848\n-0.032598 -10.233577 -0.130009\n-2.132705 -4.935516 10.315172\nMn O F\n12 4 24\ndirect\n0.983164 0.012229 0.981370 Mn\n0.963791 0.161012 0.208797 Mn\n0.832641 0.815711 0.351029 Mn\n0.512855 0.510205 0.973428 Mn\n0.579703 0.872930 0.786230 Mn\n0.673911 0.687917 0.643339 Mn\n0.680969 0.467664 0.518471 Mn\n0.277729 0.984005 0.498023 Mn\n0.371477 0.669314 0.190072 Mn\n0.113910 0.368870 0.797981 Mn\n0.151276 0.186658 0.653009 Mn\n0.317189 0.322793 0.333968 Mn\n0.588241 0.676090 0.492796 O\n0.475542 0.852990 0.641648 O\n0.345396 0.342177 0.657971 O\n0.133059 0.153264 0.347877 O\n0.866718 0.200995 0.790049 F\n0.896054 0.513577 0.655663 F\n0.948177 0.027643 0.642843 F\n0.743444 0.902650 0.911916 F\n0.845261 0.404840 0.919308 F\n0.988997 0.331090 0.492619 F\n0.823181 0.705255 0.780290 F\n0.673444 0.291140 0.236122 F\n0.776630 0.118608 0.094680 F\n0.622891 0.976651 0.361239 F\n0.645909 0.603695 0.091534 F\n0.517949 0.473437 0.360968 F\n0.621455 0.793933 0.212872 F\n0.251922 0.197422 0.923358 F\n0.385930 0.521592 0.792187 F\n0.326440 0.026945 0.786473 F\n0.324851 0.702378 0.913370 F\n0.439059 0.172169 0.509232 F\n0.238451 0.331566 0.091516 F\n0.148514 0.505397 0.213888 F\n0.075722 0.664618 0.340791 F\n0.028069 0.825497 0.500338 F\n0.181125 0.834376 0.077239 F\n0.111412 0.967850 0.234383 F\n",
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],
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{
"id": "mp-1205064",
"created_at": "2022-09-04T14:48:19.204465Z",
"structure_string": "Cr4 Pt4 N20 Cl20\n1.0\n7.882093 0.000000 0.000000\n0.000000 11.310472 0.000000\n0.000000 0.000000 14.349270\nCr Pt N Cl\n4 4 20 20\ndirect\n0.250000 0.917083 0.907439 Cr\n0.250000 0.582917 0.407439 Cr\n0.750000 0.082917 0.092561 Cr\n0.750000 0.417083 0.592561 Cr\n0.250000 0.337060 0.846409 Pt\n0.250000 0.162940 0.346409 Pt\n0.750000 0.662940 0.153591 Pt\n0.750000 0.837060 0.653591 Pt\n0.098782 0.950974 0.837171 N\n0.401218 0.549026 0.337171 N\n0.598782 0.049026 0.162829 N\n0.901218 0.450974 0.662829 N\n0.901218 0.049026 0.162829 N\n0.598782 0.450974 0.662829 N\n0.401218 0.950974 0.837171 N\n0.098782 0.549026 0.337171 N\n0.145310 0.728640 0.896549 N\n0.354690 0.771360 0.396549 N\n0.645310 0.271360 0.103451 N\n0.854690 0.228640 0.603451 N\n0.854690 0.271360 0.103451 N\n0.645310 0.228640 0.603451 N\n0.354690 0.728640 0.896549 N\n0.145310 0.771360 0.396549 N\n0.250000 0.652162 0.860445 N\n0.250000 0.847838 0.360445 N\n0.750000 0.347838 0.139555 N\n0.750000 0.152162 0.639555 N\n0.250000 0.425199 0.987434 Cl\n0.250000 0.074801 0.487434 Cl\n0.750000 0.574801 0.012566 Cl\n0.750000 0.925199 0.512566 Cl\n0.962707 0.341508 0.844651 Cl\n0.537293 0.158492 0.344651 Cl\n0.462707 0.658492 0.155349 Cl\n0.037293 0.841508 0.655349 Cl\n0.037293 0.658492 0.155349 Cl\n0.462707 0.841508 0.655349 Cl\n0.537293 0.341508 0.844651 Cl\n0.962707 0.158492 0.344651 Cl\n0.250000 0.230782 0.713404 Cl\n0.250000 0.269218 0.213404 Cl\n0.750000 0.769218 0.286596 Cl\n0.750000 0.730782 0.786596 Cl\n0.250000 0.038577 0.023663 Cl\n0.250000 0.461423 0.523663 Cl\n0.750000 0.961423 0.976337 Cl\n0.750000 0.538577 0.476337 Cl\n",
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]
}