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{
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{
"id": "mp-1234460",
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"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.761678 -0.118852 -0.120474\n2.999489 -5.064169 0.065143\n3.101606 1.829192 -10.300929\nHf Mg N O\n8 1 8 4\ndirect\n0.176570 0.315037 0.283890 Hf\n0.007888 0.934845 0.946200 Hf\n0.336397 0.292698 0.995556 Hf\n0.619869 0.407318 0.565786 Hf\n0.497415 0.667414 0.301576 Hf\n0.851799 0.966276 0.239898 Hf\n0.663389 0.600959 0.999344 Hf\n0.859217 0.794591 0.682367 Hf\n0.281184 0.088757 0.571914 Mg\n0.460117 0.015570 0.367220 N\n0.586049 0.237446 0.121985 N\n0.240161 0.767688 0.602641 N\n0.779396 0.317053 0.363022 N\n0.397991 0.569243 0.915018 N\n0.904693 0.562610 0.147785 N\n0.902684 0.457771 0.610473 N\n0.721585 0.871111 0.890253 N\n0.305113 0.917032 0.159739 O\n0.109648 0.680337 0.343094 O\n0.070990 0.236420 0.908326 O\n0.558756 0.116396 0.634185 O\n",
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{
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"structure_string": "Li4 Fe12 P12 O44\n1.0\n9.077514 0.000000 0.000000\n0.000000 8.040877 0.000000\n0.000000 1.448865 11.380421\nLi Fe P O\n4 12 12 44\ndirect\n0.731273 0.878830 0.468304 Li\n0.768727 0.878830 0.968304 Li\n0.231273 0.121170 0.031696 Li\n0.268727 0.121170 0.531696 Li\n0.367014 0.932191 0.760339 Fe\n0.132986 0.932191 0.260339 Fe\n0.357236 0.546727 0.928340 Fe\n0.377269 0.576910 0.649919 Fe\n0.142764 0.546727 0.428340 Fe\n0.877269 0.423090 0.850081 Fe\n0.122731 0.576910 0.149919 Fe\n0.857236 0.453273 0.571660 Fe\n0.622731 0.423090 0.350081 Fe\n0.642764 0.453273 0.071660 Fe\n0.867014 0.067809 0.739661 Fe\n0.632986 0.067809 0.239661 Fe\n0.069191 0.788282 0.896265 P\n0.062675 0.778397 0.644959 P\n0.430809 0.788282 0.396265 P\n0.670729 0.680023 0.797617 P\n0.437325 0.778397 0.144959 P\n0.829271 0.680023 0.297617 P\n0.170729 0.319977 0.702383 P\n0.562675 0.221603 0.855041 P\n0.329271 0.319977 0.202383 P\n0.569191 0.211718 0.603735 P\n0.937325 0.221603 0.355041 P\n0.930809 0.211718 0.103735 P\n0.991702 0.958295 0.881989 O\n0.976761 0.939768 0.619468 O\n0.508298 0.958295 0.381989 O\n0.716394 0.863764 0.781827 O\n0.239652 0.792636 0.892284 O\n0.523239 0.939768 0.119468 O\n0.783606 0.863764 0.281827 O\n0.232488 0.797566 0.644374 O\n0.260348 0.792636 0.392284 O\n0.496336 0.674036 0.787609 O\n0.020450 0.695078 0.782040 O\n0.267512 0.797566 0.144374 O\n0.485506 0.676821 0.504591 O\n0.727395 0.602386 0.922334 O\n0.016628 0.648041 0.565629 O\n0.003664 0.674036 0.287609 O\n0.479550 0.695078 0.282040 O\n0.742476 0.566685 0.711921 O\n0.014494 0.676821 0.004591 O\n0.772605 0.602386 0.422334 O\n0.483372 0.648041 0.065629 O\n0.757524 0.566685 0.211921 O\n0.242476 0.433315 0.788079 O\n0.516628 0.351959 0.934371 O\n0.227395 0.397614 0.577666 O\n0.985506 0.323179 0.995409 O\n0.257524 0.433315 0.288079 O\n0.520450 0.304922 0.717960 O\n0.996336 0.325964 0.712391 O\n0.983372 0.351959 0.434371 O\n0.272605 0.397614 0.077666 O\n0.514494 0.323179 0.495409 O\n0.732488 0.202434 0.855626 O\n0.979550 0.304922 0.217960 O\n0.503664 0.325964 0.212391 O\n0.739652 0.207364 0.607716 O\n0.767512 0.202434 0.355626 O\n0.216394 0.136236 0.718173 O\n0.476761 0.060232 0.880532 O\n0.760348 0.207364 0.107716 O\n0.283606 0.136236 0.218173 O\n0.491702 0.041705 0.618011 O\n0.023239 0.060232 0.380532 O\n0.008298 0.041705 0.118011 O\n",
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],
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"formula_full": "Li4 Fe12 P12 O44",
"formula_reduced": "LiFe3P3O11",
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"updated_at": "2021-11-28T01:35:03.650000Z",
"spacegroup": 14
},
{
"id": "mp-18725",
"created_at": "2022-09-04T14:39:18.155867Z",
"structure_string": "Y4 Cr4 O12\n1.0\n5.317254 0.000004 -0.000019\n0.000004 5.614676 -0.000011\n-0.000027 -0.000015 7.667365\nY Cr O\n4 4 12\ndirect\n0.018937 0.932555 0.750001 Y\n0.518937 0.567446 0.250001 Y\n0.481063 0.432554 0.749999 Y\n0.981062 0.067446 0.249999 Y\n0.499999 0.000004 0.500003 Cr\n0.000000 0.500004 0.000001 Cr\n0.000002 0.499995 0.499993 Cr\n0.500002 0.999992 0.000004 Cr\n0.111902 0.459143 0.249999 O\n0.611904 0.040859 0.749998 O\n0.388096 0.959142 0.250001 O\n0.888097 0.540858 0.750001 O\n0.693032 0.302360 0.442641 O\n0.193035 0.197639 0.557361 O\n0.806966 0.802361 0.057360 O\n0.306964 0.697638 0.942639 O\n0.306967 0.697641 0.557359 O\n0.806963 0.802361 0.442639 O\n0.193033 0.197640 0.942640 O\n0.693037 0.302363 0.057361 O\n",
"nsites": 20,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-O-Y",
"density": 5.481294630991497,
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"formula_full": "Y4 Cr4 O12",
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"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:34:44.494000Z",
"spacegroup": 62
},
{
"id": "mp-1070",
"created_at": "2022-09-04T14:39:15.556549Z",
"structure_string": "Cd2 Se2\n1.0\n2.196975 -3.805273 0.000000\n2.196975 3.805273 0.000000\n0.000000 0.000000 7.170578\nCd Se\n2 2\ndirect\n0.666667 0.333333 0.499969 Cd\n0.333333 0.666667 0.999969 Cd\n0.666667 0.333333 0.875891 Se\n0.333333 0.666667 0.375891 Se\n",
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"formula_full": "Cd2 Se2",
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},
{
"id": "mp-1025896",
"created_at": "2022-09-04T14:39:46.358311Z",
"structure_string": "Mo2 W1 Se2 S4\n1.0\n1.617095 -2.800890 0.000000\n1.617095 2.800890 0.000000\n0.000000 0.000000 29.693243\nMo W Se S\n2 1 2 4\ndirect\n0.333333 0.666667 0.768648 Mo\n0.333333 0.666667 0.231352 Mo\n0.666667 0.333333 0.000000 W\n0.333333 0.666667 0.057794 Se\n0.333333 0.666667 0.942206 Se\n0.666667 0.333333 0.716426 S\n0.666667 0.333333 0.179124 S\n0.666667 0.333333 0.820876 S\n0.666667 0.333333 0.283574 S\n",
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],
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{
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"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n5.109379 0.000000 0.000000\n0.000000 8.492595 0.000000\n0.000000 0.000000 11.946309\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.059272 0.747160 0.395052 Li\n0.559272 0.247160 0.104948 Li\n0.559272 0.252840 0.604948 Li\n0.059272 0.752840 0.895052 Li\n0.754711 0.646916 0.653652 Al\n0.254711 0.146916 0.846348 Al\n0.754711 0.853084 0.153652 Al\n0.254711 0.353084 0.346348 Al\n0.217605 0.464909 0.724848 Si\n0.717605 0.964909 0.775152 Si\n0.717605 0.535091 0.275152 Si\n0.217605 0.035091 0.224848 Si\n0.965836 0.021329 0.376180 H\n0.465836 0.521329 0.123820 H\n0.465836 0.978671 0.623820 H\n0.289708 0.139050 0.456163 H\n0.789708 0.860950 0.543837 H\n0.789708 0.639050 0.043837 H\n0.965836 0.478671 0.876180 H\n0.289708 0.360950 0.956163 H\n0.440641 0.527010 0.341228 O\n0.940641 0.027010 0.158772 O\n0.331160 0.250529 0.971879 O\n0.137768 0.976723 0.359861 O\n0.931943 0.084263 0.823829 O\n0.931943 0.415737 0.323829 O\n0.830653 0.714525 0.262856 O\n0.830653 0.785475 0.762856 O\n0.431943 0.584263 0.676171 O\n0.431943 0.915737 0.176171 O\n0.831160 0.749471 0.028121 O\n0.331160 0.249471 0.471879 O\n0.831160 0.750529 0.528121 O\n0.330653 0.214525 0.237144 O\n0.940641 0.472990 0.658772 O\n0.137768 0.523277 0.859861 O\n0.637768 0.023277 0.640139 O\n0.330653 0.285475 0.737144 O\n0.440641 0.972990 0.841228 O\n0.637768 0.476723 0.140139 O\n",
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"formula_full": "Li4 Al4 Si4 H8 O20",
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{
"id": "mp-780333",
"created_at": "2022-09-04T14:39:16.570140Z",
"structure_string": "Li12 Bi8 P12 O48\n1.0\n9.237253 0.000000 0.000000\n0.000000 9.308850 0.000000\n0.000000 9.189796 13.144612\nLi Bi P O\n12 8 12 48\ndirect\n0.111801 0.224830 0.692843 Li\n0.714403 0.180958 0.743647 Li\n0.769980 0.611316 0.179299 Li\n0.269980 0.388684 0.320701 Li\n0.214403 0.819042 0.756353 Li\n0.611801 0.775170 0.807157 Li\n0.388199 0.224830 0.192843 Li\n0.785597 0.180958 0.243647 Li\n0.730020 0.611316 0.679299 Li\n0.230020 0.388684 0.820701 Li\n0.285597 0.819042 0.256353 Li\n0.888199 0.775170 0.307157 Li\n0.446663 0.658854 0.101458 Bi\n0.040415 0.853527 0.900020 Bi\n0.540415 0.146473 0.599980 Bi\n0.946663 0.341146 0.398542 Bi\n0.053337 0.658854 0.601458 Bi\n0.459585 0.853527 0.400020 Bi\n0.959585 0.146473 0.099980 Bi\n0.553337 0.341146 0.898542 Bi\n0.241633 0.464012 0.489387 P\n0.390198 0.067809 0.834780 P\n0.092227 0.734451 0.168029 P\n0.592227 0.265549 0.331971 P\n0.890198 0.932191 0.665220 P\n0.741633 0.535988 0.010613 P\n0.258367 0.464012 0.989387 P\n0.109802 0.067809 0.334780 P\n0.407773 0.734451 0.668029 P\n0.907773 0.265549 0.831971 P\n0.609802 0.932191 0.165220 P\n0.758367 0.535988 0.510613 P\n0.871101 0.546303 0.435151 O\n0.710090 0.344004 0.591775 O\n0.899224 0.115179 0.815159 O\n0.610294 0.756495 0.173794 O\n0.369631 0.346772 0.554842 O\n0.245388 0.054014 0.789637 O\n0.175479 0.391010 0.431172 O\n0.401408 0.911749 0.947405 O\n0.071929 0.808160 0.055398 O\n0.238831 0.635410 0.209005 O\n0.960344 0.618197 0.231863 O\n0.523133 0.065370 0.774669 O\n0.023133 0.934630 0.725331 O\n0.460344 0.381803 0.268137 O\n0.738831 0.364590 0.290995 O\n0.571929 0.191840 0.444602 O\n0.901408 0.088251 0.552595 O\n0.675479 0.608990 0.068828 O\n0.745388 0.945986 0.710363 O\n0.869631 0.653228 0.945158 O\n0.110294 0.243505 0.326206 O\n0.399224 0.884821 0.684841 O\n0.210090 0.655996 0.908225 O\n0.371101 0.453697 0.064849 O\n0.628899 0.546303 0.935151 O\n0.789910 0.344004 0.091775 O\n0.600776 0.115179 0.315159 O\n0.889706 0.756495 0.673794 O\n0.130369 0.346772 0.054842 O\n0.254612 0.054014 0.289637 O\n0.324521 0.391010 0.931172 O\n0.098592 0.911749 0.447405 O\n0.428071 0.808160 0.555398 O\n0.261169 0.635410 0.709005 O\n0.539656 0.618197 0.731863 O\n0.976867 0.065370 0.274669 O\n0.476867 0.934630 0.225331 O\n0.039656 0.381803 0.768137 O\n0.761169 0.364590 0.790995 O\n0.928071 0.191840 0.944602 O\n0.598592 0.088251 0.052595 O\n0.824521 0.608990 0.568828 O\n0.754612 0.945986 0.210363 O\n0.630369 0.653228 0.445158 O\n0.389706 0.243505 0.826206 O\n0.100776 0.884821 0.184841 O\n0.289910 0.655996 0.408225 O\n0.128899 0.453697 0.564849 O\n",
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"formula_full": "Li12 Bi8 P12 O48",
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{
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