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{
"id": "mp-1225780",
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"structure_string": "Dy12 Si12 O42\n1.0\n6.645446 0.000000 0.000000\n0.206646 6.686522 0.000000\n0.502045 1.951566 18.091301\nDy Si O\n12 12 42\ndirect\n0.882960 0.900373 0.607583 Dy\n0.145979 0.123424 0.401792 Dy\n0.384615 0.652715 0.903239 Dy\n0.616633 0.347515 0.096796 Dy\n0.447973 0.964414 0.738394 Dy\n0.545920 0.030460 0.258920 Dy\n0.878066 0.347537 0.910329 Dy\n0.121137 0.653129 0.089780 Dy\n0.184321 0.470638 0.737868 Dy\n0.814144 0.531898 0.264472 Dy\n0.554437 0.376142 0.587921 Dy\n0.408622 0.610321 0.414359 Dy\n0.876168 0.815681 0.937711 Si\n0.123861 0.183972 0.062673 Si\n0.662348 0.490003 0.740224 Si\n0.338960 0.510976 0.257072 Si\n0.995561 0.957702 0.786836 Si\n0.006032 0.044055 0.214475 Si\n0.364667 0.175862 0.919225 Si\n0.635445 0.823409 0.080871 Si\n0.348316 0.863412 0.579309 Si\n0.652202 0.129938 0.418616 Si\n0.042116 0.393347 0.552839 Si\n0.901356 0.728931 0.443538 Si\n0.225049 0.782763 0.658342 O\n0.789597 0.222270 0.346790 O\n0.496862 0.627578 0.784074 O\n0.506204 0.372525 0.215153 O\n0.546155 0.304918 0.949989 O\n0.454179 0.694638 0.050014 O\n0.454990 0.687734 0.532803 O\n0.559193 0.297679 0.468844 O\n0.807085 0.940190 0.733219 O\n0.199332 0.063393 0.264768 O\n0.150473 0.128781 0.752489 O\n0.850548 0.871232 0.247813 O\n0.856567 0.413920 0.788855 O\n0.141019 0.584921 0.210752 O\n0.731048 0.599559 0.659784 O\n0.273427 0.400524 0.337509 O\n0.866666 0.239235 0.584546 O\n0.117407 0.784760 0.405019 O\n0.726849 0.652020 0.912543 O\n0.273480 0.348204 0.087447 O\n0.434029 0.991620 0.872123 O\n0.565196 0.008120 0.127643 O\n0.173975 0.988447 0.531517 O\n0.807640 0.959628 0.465411 O\n0.081643 0.689364 0.964082 O\n0.918603 0.310813 0.035928 O\n0.525892 0.003689 0.610879 O\n0.472258 0.000357 0.386173 O\n0.209205 0.400333 0.615814 O\n0.753652 0.631812 0.389658 O\n0.513091 0.308915 0.719439 O\n0.484202 0.692119 0.278408 O\n0.913636 0.622536 0.531666 O\n0.136378 0.379883 0.470273 O\n0.780554 0.919306 0.009650 O\n0.219317 0.080506 0.990546 O\n0.220706 0.356780 0.875604 O\n0.779248 0.643315 0.124806 O\n0.131582 0.750794 0.807399 O\n0.868015 0.250260 0.193903 O\n0.909227 0.010850 0.873452 O\n0.088681 0.989457 0.126731 O\n",
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"formula_full": "Dy12 Si12 O42",
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"updated_at": "2021-11-28T01:34:53.367000Z",
"spacegroup": 1
},
{
"id": "mp-1180439",
"created_at": "2022-09-04T14:40:17.096523Z",
"structure_string": "Mo2 H8 O10\n1.0\n4.284761 0.000000 0.000000\n1.049832 6.398375 0.000000\n0.054435 0.030053 8.097028\nMo H O\n2 8 10\ndirect\n0.943867 0.015614 0.292056 Mo\n0.051399 0.983133 0.792706 Mo\n0.357414 0.442895 0.944347 H\n0.655175 0.557558 0.445026 H\n0.422750 0.197396 0.302519 H\n0.569324 0.806989 0.824400 H\n0.629537 0.441631 0.071422 H\n0.165962 0.640848 0.168238 H\n0.378250 0.559866 0.571350 H\n0.833093 0.358585 0.664214 H\n0.011167 0.969258 0.008356 O\n0.978292 0.028080 0.507159 O\n0.445905 0.531223 0.022873 O\n0.561319 0.469234 0.521766 O\n0.475516 0.045687 0.282651 O\n0.520820 0.954835 0.789847 O\n0.930593 0.274635 0.223342 O\n0.055793 0.720732 0.263274 O\n0.072036 0.724121 0.723645 O\n0.943623 0.278221 0.759831 O\n",
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"formula_full": "Mo2 H8 O10",
"formula_reduced": "MoH4O5",
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{
"id": "mp-1099606",
"created_at": "2022-09-04T14:40:17.129593Z",
"structure_string": "K3 Na5 V3 Mo5 O24\n1.0\n7.849968 0.000000 0.000000\n0.003036 7.855887 0.000000\n0.011297 0.016828 7.894671\nK Na V Mo O\n3 5 3 5 24\ndirect\n0.745713 0.745072 0.260824 K\n0.254340 0.745386 0.740009 K\n0.254642 0.745050 0.261184 K\n0.741991 0.741962 0.730142 Na\n0.742029 0.257684 0.730079 Na\n0.741979 0.257414 0.270263 Na\n0.258107 0.257577 0.729729 Na\n0.258073 0.257532 0.270460 Na\n0.999626 0.495352 0.501794 V\n0.501407 0.000320 0.501518 V\n0.501854 0.492217 0.501177 V\n0.999418 0.001845 0.000670 Mo\n0.999100 0.497505 0.999313 Mo\n0.999011 0.002557 0.502520 Mo\n0.500864 0.003525 0.999175 Mo\n0.500652 0.498834 0.998982 Mo\n0.748465 0.002691 0.998764 O\n0.749479 0.496261 0.998551 O\n0.756239 0.007298 0.502682 O\n0.760426 0.495182 0.503995 O\n0.252182 0.003652 0.998578 O\n0.251005 0.495404 0.998249 O\n0.242546 0.007898 0.500669 O\n0.238147 0.492026 0.500980 O\n0.998270 0.004104 0.755936 O\n0.997877 0.495208 0.758345 O\n0.999017 0.004813 0.244249 O\n0.998996 0.492618 0.240689 O\n0.502974 0.004831 0.758409 O\n0.503403 0.494431 0.758767 O\n0.500739 0.005794 0.240694 O\n0.500826 0.491139 0.240046 O\n0.998227 0.747100 0.998431 O\n0.999358 0.250983 0.998288 O\n0.996801 0.759079 0.503800 O\n0.997966 0.245013 0.500790 O\n0.502124 0.748219 0.998148 O\n0.501053 0.250095 0.997790 O\n0.504194 0.765131 0.504570 O\n0.500880 0.241197 0.500742 O\n",
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"elements": [
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],
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"density": 4.259207377882738,
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"volume": 486.8522151051045,
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"formula_full": "K3 Na5 V3 Mo5 O24",
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{
"id": "mp-1234801",
"created_at": "2022-09-04T14:40:17.157991Z",
"structure_string": "Mg1 V6 H6 O18\n1.0\n5.179469 -0.030713 -1.171768\n-0.045296 9.437726 0.045397\n-1.003147 0.050318 8.029369\nMg V H O\n1 6 6 18\ndirect\n0.222998 0.568421 0.368790 Mg\n0.462221 0.420653 0.157265 V\n0.524097 0.925349 0.838573 V\n0.504224 0.558873 0.814462 V\n0.479624 0.060519 0.174613 V\n0.893043 0.246820 0.037043 V\n0.103575 0.740244 0.954665 V\n0.804377 0.662304 0.407011 H\n0.221509 0.148024 0.610458 H\n0.028942 0.243976 0.690707 H\n0.216678 0.331247 0.599425 H\n0.942719 0.759340 0.303577 H\n0.791574 0.908468 0.419015 H\n0.615889 0.397235 0.968931 O\n0.384086 0.895034 0.033141 O\n0.333477 0.567804 0.989679 O\n0.627060 0.089424 0.992214 O\n0.151155 0.390221 0.191067 O\n0.842909 0.884351 0.840758 O\n0.812196 0.611039 0.812073 O\n0.169550 0.105490 0.172654 O\n0.628955 0.248074 0.224724 O\n0.354833 0.743412 0.784257 O\n0.962138 0.253074 0.852780 O\n0.086168 0.706447 0.157254 O\n0.598464 0.527425 0.334353 O\n0.357263 0.012966 0.655878 O\n0.328042 0.485850 0.611274 O\n0.647449 0.979558 0.380100 O\n0.106115 0.240097 0.589174 O\n0.961172 0.727526 0.424711 O\n",
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"formula_full": "Mg1 V6 H6 O18",
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{
"id": "mp-677422",
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"structure_string": "Ca4 Ga4 Si2 H4 O16\n1.0\n7.801533 0.000000 0.000000\n-2.631207 7.364041 0.000000\n-2.549489 -3.675517 6.420214\nCa Ga Si H O\n4 4 2 4 16\ndirect\n0.997826 0.715069 0.989523 Ca\n0.992778 0.002134 0.719549 Ca\n0.721596 0.997978 0.009079 Ca\n0.277344 0.277650 0.277273 Ca\n0.242912 0.484850 0.742751 Ga\n0.757381 0.516027 0.256984 Ga\n0.507319 0.246748 0.756107 Ga\n0.259252 0.754176 0.507739 Ga\n0.736321 0.243770 0.488669 Si\n0.491364 0.754794 0.244654 Si\n0.011687 0.972134 0.345045 H\n0.338085 0.000927 0.964443 H\n0.966253 0.340073 0.001587 H\n0.624943 0.659367 0.658039 H\n0.998772 0.231677 0.006498 O\n0.697594 0.998998 0.422359 O\n0.552814 0.584576 0.285195 O\n0.967503 0.412660 0.698597 O\n0.441357 0.724253 0.011859 O\n0.719096 0.276577 0.287889 O\n0.225257 0.000550 0.991471 O\n0.748267 0.455844 0.004887 O\n0.000929 0.992146 0.226660 O\n0.266258 0.255524 0.722340 O\n0.009510 0.749978 0.461284 O\n0.468686 0.998842 0.749687 O\n0.289914 0.543575 0.548112 O\n0.553427 0.265831 0.537657 O\n0.286440 0.733928 0.270864 O\n0.765315 0.767443 0.771298 O\n",
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"formula_full": "Ca4 Ga4 Si2 H4 O16",
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{
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"structure_string": "Dy7 Cu3 Te12\n1.0\n7.454262 0.000000 0.000000\n-3.623656 6.517508 0.000000\n-1.253918 -2.095393 14.105396\nDy Cu Te\n7 3 12\ndirect\n0.416432 0.418228 0.252908 Dy\n0.332349 0.664490 0.997123 Dy\n0.089937 0.757886 0.252314 Dy\n0.246222 0.907133 0.745322 Dy\n0.745572 0.074644 0.251595 Dy\n0.921882 0.257440 0.746251 Dy\n0.578022 0.582906 0.745798 Dy\n0.859381 0.525475 0.575817 Cu\n0.810969 0.809909 0.428601 Cu\n0.475752 0.143656 0.428911 Cu\n0.126270 0.136687 0.383937 Te\n0.293203 0.288824 0.875109 Te\n0.804986 0.458990 0.382398 Te\n0.955000 0.626443 0.875185 Te\n0.455594 0.788782 0.385372 Te\n0.626926 0.960819 0.875398 Te\n0.375907 0.044714 0.124510 Te\n0.534316 0.202013 0.618670 Te\n0.039929 0.375859 0.124984 Te\n0.209324 0.535843 0.616246 Te\n0.708742 0.703949 0.124966 Te\n0.869952 0.878643 0.618586 Te\n",
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{
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"structure_string": "Gd8 Nb8 N8 O20\n1.0\n7.893183 -0.003902 -0.020198\n-1.998952 13.440855 -0.071288\n-0.014524 -0.032037 5.545156\nGd Nb N O\n8 8 8 20\ndirect\n0.129214 0.564444 0.347164 Gd\n0.220587 0.916926 0.768161 Gd\n0.279334 0.129941 0.250934 Gd\n0.342750 0.384866 0.758481 Gd\n0.666003 0.608019 0.273021 Gd\n0.725735 0.873944 0.749255 Gd\n0.774623 0.083724 0.277161 Gd\n0.863646 0.435926 0.829307 Gd\n0.072098 0.324544 0.281912 Nb\n0.015092 0.109222 0.759576 Nb\n0.412067 0.673387 0.789655 Nb\n0.461711 0.880047 0.270730 Nb\n0.533281 0.120433 0.768853 Nb\n0.600083 0.326748 0.275497 Nb\n0.971186 0.878300 0.258462 Nb\n0.925283 0.673806 0.791625 Nb\n0.084045 0.411124 0.551416 N\n0.225860 0.885119 0.337526 N\n0.948297 0.983787 0.545616 N\n0.862219 0.569675 0.556710 N\n0.774603 0.115283 0.843969 N\n0.824752 0.308319 0.178397 N\n0.980356 0.824613 0.929424 N\n0.921297 0.587285 0.054873 N\n0.020819 0.180397 0.432886 O\n0.179706 0.690518 0.669877 O\n0.143608 0.431439 0.054414 O\n0.061025 0.025147 0.045452 O\n0.138398 0.226820 0.948193 O\n0.367342 0.618035 0.088187 O\n0.429203 0.824912 0.927578 O\n0.277661 0.082581 0.650496 O\n0.325347 0.298556 0.377138 O\n0.416447 0.557171 0.586798 O\n0.554853 0.979173 0.535283 O\n0.510353 0.770132 0.458803 O\n0.487691 0.232195 0.961032 O\n0.449633 0.024326 0.037014 O\n0.580569 0.443545 0.083032 O\n0.667993 0.696821 0.869770 O\n0.727567 0.920984 0.146872 O\n0.567959 0.174397 0.431903 O\n0.621813 0.382253 0.590616 O\n0.857891 0.771118 0.441912 O\n",
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{
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{
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{
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"structure_string": "K2 Li1 S2 O4 F2\n1.0\n5.162788 -0.204597 -1.715133\n-0.466446 6.678547 -0.618442\n-0.448170 -0.848229 7.193766\nK Li S O F\n2 1 2 4 2\ndirect\n0.157054 0.144006 0.287760 K\n0.815137 0.880634 0.702977 K\n0.873283 0.497364 0.954835 Li\n0.407977 0.234486 0.836431 S\n0.560969 0.766499 0.168510 S\n0.473434 0.415194 0.758827 O\n0.635420 0.979051 0.304856 O\n0.631531 0.605452 0.283234 O\n0.302062 0.038266 0.669769 O\n0.003274 0.766925 0.047273 F\n0.959304 0.245040 0.948490 F\n",
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"formula_full": "K2 Li1 S2 O4 F2",
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{
"id": "mp-695390",
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"structure_string": "Na13 Zr7 Si5 P7 O48\n1.0\n8.039682 -0.037409 4.843183\n2.722236 7.565168 4.841167\n-0.108625 -0.080839 18.745949\nNa Zr Si P O\n13 7 5 7 48\ndirect\n0.017990 0.014495 0.009860 Na\n0.151609 0.151287 0.075787 Na\n0.127298 0.377150 0.371227 Na\n0.366932 0.786717 0.069385 Na\n0.789575 0.143422 0.181625 Na\n0.249738 0.882052 0.302255 Na\n0.617705 0.247445 0.440617 Na\n0.137051 0.365121 0.898835 Na\n0.883897 0.588651 0.125432 Na\n0.371394 0.752841 0.557880 Na\n0.748752 0.111043 0.694075 Na\n0.252974 0.872238 0.809343 Na\n0.596427 0.260345 0.936317 Na\n0.357052 0.356378 0.174892 Zr\n0.145680 0.146647 0.573371 Zr\n0.348495 0.356122 0.681001 Zr\n0.645183 0.649031 0.326381 Zr\n0.856070 0.850845 0.426217 Zr\n0.657017 0.653036 0.815753 Zr\n0.849794 0.847672 0.926459 Zr\n0.040235 0.745240 0.231547 Si\n0.462583 0.038167 0.375024 Si\n0.744817 0.460059 0.016243 Si\n0.043898 0.752053 0.730646 Si\n0.461724 0.038808 0.872230 Si\n0.249429 0.541642 0.480800 P\n0.551689 0.952189 0.123410 P\n0.952176 0.247048 0.275362 P\n0.746155 0.462343 0.521472 P\n0.247299 0.551465 0.975776 P\n0.538431 0.964542 0.623111 P\n0.959028 0.246886 0.771549 P\n0.123237 0.268349 0.256666 O\n0.269936 0.505486 0.063041 O\n0.059161 0.907224 0.141953 O\n0.507528 0.123079 0.136530 O\n0.014181 0.775623 0.318299 O\n0.208390 0.561480 0.223522 O\n0.286889 0.080311 0.460963 O\n0.433406 0.205051 0.286569 O\n0.562497 0.446793 0.102515 O\n0.220924 0.376668 0.497095 O\n0.091037 0.709568 0.463321 O\n0.401909 0.954543 0.112551 O\n0.638681 0.007531 0.387219 O\n0.126375 0.277017 0.752333 O\n0.906426 0.280687 0.029589 O\n0.777965 0.632780 0.003496 O\n0.416054 0.559872 0.396937 O\n0.283685 0.513414 0.560280 O\n0.588994 0.787749 0.207154 O\n0.073620 0.927622 0.643435 O\n0.510441 0.132664 0.633300 O\n0.727951 0.932466 0.042429 O\n0.023961 0.771533 0.817897 O\n0.218448 0.581405 0.710939 O\n0.784708 0.403800 0.301418 O\n0.953091 0.239368 0.196597 O\n0.282958 0.059259 0.953565 O\n0.480990 0.854709 0.374231 O\n0.936119 0.076877 0.359367 O\n0.443658 0.215647 0.781657 O\n0.726155 0.476396 0.441326 O\n0.583652 0.431879 0.604389 O\n0.222638 0.401006 0.979096 O\n0.083078 0.727053 0.968209 O\n0.863557 0.702904 0.261546 O\n0.369831 0.999159 0.610475 O\n0.636702 0.013507 0.886482 O\n0.913311 0.301436 0.536817 O\n0.763204 0.633099 0.504432 O\n0.410219 0.589418 0.893101 O\n0.555231 0.800855 0.705237 O\n0.699698 0.940640 0.539659 O\n0.789779 0.403732 0.787660 O\n0.988666 0.211479 0.691950 O\n0.511216 0.873946 0.846134 O\n0.943947 0.080860 0.856246 O\n0.711164 0.506815 0.927893 O\n0.866225 0.738251 0.743996 O\n",
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{
"id": "mp-1175094",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n3.024276 0.000000 0.000000\n0.378408 5.993530 0.000000\n0.323273 2.844283 12.076042\nLi Mn Co O\n7 2 3 12\ndirect\n0.999177 0.498346 0.002716 Li\n0.497995 0.336168 0.829866 Li\n0.500467 0.662963 0.169667 Li\n0.003444 0.822634 0.336733 Li\n0.500001 0.000106 0.499952 Li\n0.998016 0.178366 0.661272 Li\n0.499151 0.499803 0.499376 Li\n0.010480 0.001865 0.001226 Mn\n0.496760 0.832871 0.829262 Mn\n0.988920 0.658697 0.657659 Co\n0.999481 0.341612 0.340419 Co\n0.506346 0.164827 0.172580 Co\n0.542169 0.242765 0.009791 O\n0.030126 0.072730 0.839268 O\n0.991561 0.397486 0.181841 O\n0.523916 0.562659 0.334120 O\n0.999548 0.744884 0.514735 O\n0.525209 0.903725 0.669639 O\n0.467918 0.757709 0.992830 O\n0.969511 0.598228 0.817821 O\n0.018945 0.932520 0.162229 O\n0.465034 0.096272 0.328876 O\n0.998395 0.255145 0.483553 O\n0.467432 0.437621 0.664568 O\n",
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]
}