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{
"id": "mp-780436",
"created_at": "2022-09-04T14:44:27.305395Z",
"structure_string": "Li8 Mn5 Fe3 B8 O24\n1.0\n5.245920 0.000000 0.000000\n0.104325 6.042348 0.000000\n0.213446 2.317914 16.049693\nLi Mn Fe B O\n8 5 3 8 24\ndirect\n0.848409 0.066484 0.389949 Li\n0.150514 0.433937 0.110986 Li\n0.651458 0.188139 0.858347 Li\n0.349174 0.312866 0.640759 Li\n0.648860 0.685927 0.358608 Li\n0.350423 0.812164 0.141716 Li\n0.846859 0.564564 0.889856 Li\n0.151344 0.934179 0.609079 Li\n0.669319 0.270063 0.041087 Mn\n0.166802 0.023071 0.789888 Mn\n0.330615 0.227854 0.459139 Mn\n0.668512 0.771852 0.541272 Mn\n0.332110 0.725547 0.960559 Mn\n0.168892 0.529029 0.288181 Fe\n0.838472 0.474682 0.709641 Fe\n0.835454 0.967983 0.212056 Fe\n0.329211 0.039610 0.295899 B\n0.830432 0.285402 0.548791 B\n0.671615 0.461508 0.204140 B\n0.169791 0.215376 0.952177 B\n0.831674 0.784550 0.049010 B\n0.329248 0.538056 0.796297 B\n0.167717 0.715414 0.451070 B\n0.670368 0.962875 0.702748 B\n0.589563 0.014663 0.307351 O\n0.183602 0.172375 0.343303 O\n0.711381 0.171823 0.491408 O\n0.287787 0.331100 0.009291 O\n0.786850 0.081035 0.759094 O\n0.815301 0.327390 0.156881 O\n0.319053 0.082003 0.905447 O\n0.090602 0.263480 0.561042 O\n0.409409 0.485829 0.193053 O\n0.909879 0.237339 0.938903 O\n0.682646 0.417351 0.596739 O\n0.206356 0.424746 0.739311 O\n0.792264 0.580357 0.259660 O\n0.313557 0.582849 0.403113 O\n0.091866 0.762416 0.061950 O\n0.589076 0.513904 0.807467 O\n0.907251 0.738014 0.438792 O\n0.683872 0.916204 0.096756 O\n0.182314 0.668754 0.844628 O\n0.207685 0.923642 0.239283 O\n0.713751 0.670855 0.991478 O\n0.288271 0.829158 0.508063 O\n0.819913 0.827967 0.656729 O\n0.410481 0.985612 0.689004 O\n",
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"formula_full": "Li8 Mn5 Fe3 B8 O24",
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"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:44:57.722711Z",
"structure_string": "B40 H64 C4 Se4\n1.0\n8.494866 0.000000 0.000000\n0.000000 11.242980 0.000000\n-3.402479 0.000000 14.802384\nB H C Se\n40 64 4 4\ndirect\n0.287274 0.329813 0.757951 B\n0.712726 0.829813 0.742049 B\n0.712726 0.670187 0.242049 B\n0.287274 0.170187 0.257951 B\n0.123689 0.393869 0.680979 B\n0.876311 0.893869 0.819021 B\n0.876311 0.606131 0.319021 B\n0.123689 0.106131 0.180979 B\n0.288705 0.333380 0.641660 B\n0.711295 0.833380 0.858340 B\n0.711295 0.666620 0.358340 B\n0.288705 0.166620 0.141660 B\n0.387878 0.284498 0.211967 B\n0.612122 0.784498 0.288033 B\n0.612122 0.715502 0.788033 B\n0.387878 0.215502 0.711967 B\n0.091606 0.298737 0.769575 B\n0.908394 0.798737 0.730425 B\n0.908394 0.701263 0.230425 B\n0.091606 0.201263 0.269575 B\n0.947775 0.308163 0.661281 B\n0.052225 0.808163 0.838719 B\n0.052225 0.691837 0.338719 B\n0.947775 0.191837 0.161281 B\n0.091120 0.311970 0.575427 B\n0.908880 0.811970 0.924573 B\n0.908880 0.688030 0.424573 B\n0.091120 0.188030 0.075427 B\n0.268331 0.188194 0.601608 B\n0.731669 0.688194 0.898392 B\n0.731669 0.811806 0.398392 B\n0.268331 0.311806 0.101608 B\n0.273853 0.411875 0.193886 B\n0.726147 0.911875 0.306114 B\n0.726147 0.588125 0.806114 B\n0.273853 0.088125 0.693886 B\n0.258262 0.317871 0.287775 B\n0.741738 0.817871 0.212225 B\n0.741738 0.682129 0.712225 B\n0.258262 0.182129 0.787775 B\n0.682892 0.282295 0.916845 H\n0.317108 0.782295 0.583155 H\n0.317108 0.717705 0.083155 H\n0.682892 0.217705 0.416845 H\n0.766894 0.141347 0.960563 H\n0.233106 0.641347 0.539437 H\n0.233106 0.858653 0.039437 H\n0.766894 0.358653 0.460563 H\n0.627949 0.218793 0.014714 H\n0.372051 0.718793 0.485286 H\n0.372051 0.781207 0.985286 H\n0.627949 0.281207 0.514714 H\n0.362561 0.392011 0.816208 H\n0.637439 0.892011 0.683792 H\n0.637439 0.607989 0.183792 H\n0.362561 0.107989 0.316208 H\n0.892785 0.500633 0.318376 H\n0.107215 0.000633 0.181624 H\n0.107215 0.499367 0.681624 H\n0.892785 0.999367 0.818376 H\n0.365116 0.398880 0.605248 H\n0.634884 0.898880 0.894752 H\n0.634884 0.601120 0.394752 H\n0.365116 0.101120 0.105248 H\n0.531709 0.290415 0.231579 H\n0.468291 0.790415 0.268421 H\n0.468291 0.709585 0.768421 H\n0.531709 0.209585 0.731579 H\n0.047066 0.337252 0.833086 H\n0.952934 0.837252 0.666914 H\n0.952934 0.662748 0.166914 H\n0.047066 0.162748 0.333086 H\n0.823459 0.358923 0.659059 H\n0.176541 0.858923 0.840941 H\n0.176541 0.641077 0.340941 H\n0.823459 0.141077 0.159059 H\n0.063521 0.369150 0.507421 H\n0.936479 0.869150 0.992579 H\n0.936479 0.630850 0.492579 H\n0.063521 0.130850 0.007421 H\n0.314332 0.347244 0.037759 H\n0.685668 0.847244 0.462241 H\n0.685668 0.652756 0.962241 H\n0.314332 0.152756 0.537759 H\n0.682945 0.487046 0.803573 H\n0.317055 0.987046 0.696427 H\n0.317055 0.512954 0.196427 H\n0.682945 0.012954 0.303573 H\n0.306790 0.356538 0.362014 H\n0.693210 0.856538 0.137986 H\n0.693210 0.643462 0.637986 H\n0.306790 0.143462 0.862014 H\n0.980076 0.275900 0.229316 H\n0.019924 0.775900 0.270684 H\n0.019924 0.724100 0.770684 H\n0.980076 0.224100 0.729316 H\n0.168688 0.399394 0.116591 H\n0.831312 0.899394 0.383409 H\n0.831312 0.600606 0.883409 H\n0.168688 0.100606 0.616591 H\n0.161268 0.401381 0.242971 H\n0.838732 0.901381 0.257029 H\n0.838732 0.598619 0.757029 H\n0.161268 0.098619 0.742971 H\n0.723664 0.228005 0.977887 C\n0.276336 0.728005 0.522113 C\n0.276336 0.771995 0.022113 C\n0.723664 0.271995 0.477887 C\n0.903594 0.316355 0.054950 Se\n0.096406 0.816355 0.445050 Se\n0.096406 0.683645 0.945050 Se\n0.903594 0.183645 0.554950 Se\n",
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"elements": [
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"C",
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"formula_full": "B40 H64 C4 Se4",
"formula_reduced": "B10H16CSe",
"formula_anonymous": "ABC10D16",
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"updated_at": "2021-11-28T01:36:45.744000Z",
"spacegroup": 14
},
{
"id": "mp-3707",
"created_at": "2022-09-04T14:44:50.897814Z",
"structure_string": "Ca2 Ge4 O10\n1.0\n4.450949 3.334636 0.000000\n-4.450949 3.334636 0.000000\n0.000000 2.793317 6.402203\nCa Ge O\n2 4 10\ndirect\n0.328518 0.671482 0.750000 Ca\n0.671482 0.328518 0.250000 Ca\n0.315446 0.684554 0.250000 Ge\n0.684554 0.315446 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.901942 0.308159 0.898561 O\n0.691841 0.098058 0.601439 O\n0.098058 0.691841 0.101439 O\n0.308159 0.901942 0.398561 O\n0.634324 0.750881 0.074813 O\n0.249119 0.365676 0.425187 O\n0.070104 0.929896 0.750000 O\n0.929896 0.070104 0.250000 O\n0.750881 0.634324 0.574813 O\n0.365676 0.249119 0.925187 O\n",
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],
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"density_atomic": 0.0841898031281606,
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"formula_full": "Ca2 Ge4 O10",
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},
{
"id": "mp-1213630",
"created_at": "2022-09-04T14:44:53.469489Z",
"structure_string": "In4 H10 Se6 O24\n1.0\n6.106440 0.000000 0.000000\n-3.018506 10.975009 0.000000\n-0.392554 -0.384906 11.714729\nIn H Se O\n4 10 6 24\ndirect\n0.000000 0.000000 0.500000 In\n0.707631 0.395869 0.266110 In\n0.292369 0.604131 0.733890 In\n0.000000 0.000000 0.000000 In\n0.223328 0.586666 0.091271 H\n0.776672 0.413334 0.908729 H\n0.296113 0.549806 0.395884 H\n0.703887 0.450194 0.604116 H\n0.395743 0.996969 0.162318 H\n0.604257 0.003031 0.837682 H\n0.857736 0.099777 0.545359 H\n0.142264 0.900223 0.454641 H\n0.933377 0.514211 0.238743 H\n0.066623 0.485789 0.761257 H\n0.736720 0.103216 0.239557 Se\n0.263280 0.896784 0.760443 Se\n0.413731 0.311335 0.513114 Se\n0.586269 0.688665 0.486886 Se\n0.459582 0.300058 0.992274 Se\n0.540418 0.699942 0.007726 Se\n0.777303 0.645385 0.415649 O\n0.222697 0.354615 0.584351 O\n0.779213 0.230385 0.323564 O\n0.220787 0.769615 0.676436 O\n0.807076 0.136957 0.107543 O\n0.192924 0.863043 0.892457 O\n0.435223 0.039010 0.237607 O\n0.564777 0.960990 0.762393 O\n0.861718 0.006751 0.297846 O\n0.138282 0.993249 0.702154 O\n0.370754 0.154685 0.953280 O\n0.629246 0.845315 0.046720 O\n0.454086 0.391968 0.389242 O\n0.545914 0.608032 0.610758 O\n0.672266 0.608317 0.067444 O\n0.327734 0.391683 0.932556 O\n0.381763 0.165286 0.489253 O\n0.618237 0.834714 0.510747 O\n0.243160 0.654720 0.039136 O\n0.756840 0.345280 0.960864 O\n0.685209 0.362340 0.587814 O\n0.314791 0.637660 0.412186 O\n0.459462 0.309432 0.137063 O\n0.540538 0.690568 0.862937 O\n",
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{
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"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.697630 -2.940382 0.000000\n1.697630 2.940382 0.000000\n0.000000 0.000000 38.854667\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333333 0.666667 0.045659 Te\n0.333333 0.666667 0.421162 Te\n0.333333 0.666667 0.142173 Te\n0.333333 0.666667 0.518211 Te\n0.000000 0.000000 0.093894 Mo\n0.000000 0.000000 0.469665 W\n0.333333 0.666667 0.281773 W\n0.333333 0.666667 0.657530 W\n0.000000 0.000000 0.324475 Se\n0.000000 0.000000 0.239125 Se\n0.000000 0.000000 0.696322 S\n0.000000 0.000000 0.618760 S\n",
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{
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"updated_at": "2021-11-28T01:36:44.582000Z",
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}
]
}