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{
"id": "mp-1222275",
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"structure_string": "Li1 Tl1 O2\n1.0\n3.371032 0.000000 0.000000\n0.000000 3.371032 0.000000\n0.000000 0.000000 4.331196\nLi Tl O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Mn6 O5 F7\n1.0\n9.493344 0.000000 0.000000\n0.000000 4.732156 0.000000\n0.000000 0.373275 4.757030\nMn O F\n6 5 7\ndirect\n0.000000 0.981609 0.006069 Mn\n0.660873 0.012399 0.974813 Mn\n0.339127 0.012399 0.974813 Mn\n0.158242 0.481904 0.508209 Mn\n0.841758 0.481904 0.508209 Mn\n0.500000 0.510775 0.540987 Mn\n0.500000 0.832990 0.811465 O\n0.000000 0.281241 0.704470 O\n0.675020 0.316845 0.692801 O\n0.324980 0.316845 0.692801 O\n0.000000 0.678930 0.306889 O\n0.835833 0.798827 0.805856 F\n0.164167 0.798827 0.805856 F\n0.673749 0.707304 0.295268 F\n0.326251 0.707304 0.295268 F\n0.825644 0.179693 0.181526 F\n0.500000 0.220509 0.213173 F\n0.174356 0.179693 0.181526 F\n",
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"formula_full": "Mn6 O5 F7",
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{
"id": "mp-1185125",
"created_at": "2022-09-04T14:47:10.200189Z",
"structure_string": "K6 Tb2\n1.0\n4.319209 -7.481089 0.000000\n4.319209 7.481089 0.000000\n0.000000 0.000000 7.109837\nK Tb\n6 2\ndirect\n0.171336 0.342672 0.250000 K\n0.657328 0.828664 0.250000 K\n0.171336 0.828664 0.250000 K\n0.828664 0.657328 0.750000 K\n0.342672 0.171336 0.750000 K\n0.828664 0.171336 0.750000 K\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n",
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"spacegroup": 194
},
{
"id": "mp-677638",
"created_at": "2022-09-04T14:47:11.869550Z",
"structure_string": "Na27 Ca3 Al5 P24 O84\n1.0\n9.382166 0.000000 0.000000\n-3.124300 14.838401 0.000000\n-3.125823 -7.418489 12.853780\nNa Ca Al P O\n27 3 5 24 84\ndirect\n0.352284 0.426670 0.184737 Na\n0.172447 0.289325 0.713195 Na\n0.535740 0.711181 0.421866 Na\n0.106739 0.454397 0.952143 Na\n0.069575 0.241346 0.424141 Na\n0.844781 0.950327 0.497045 Na\n0.349417 0.505606 0.452700 Na\n0.435734 0.805914 0.070667 Na\n0.050740 0.727579 0.955254 Na\n0.903949 0.954893 0.227433 Na\n0.832111 0.182385 0.758758 Na\n0.370567 0.736226 0.805662 Na\n0.675858 0.772978 0.725821 Na\n0.121803 0.578293 0.290832 Na\n0.634711 0.069387 0.263451 Na\n0.365925 0.928942 0.735224 Na\n0.321475 0.228119 0.272041 Na\n0.629939 0.264365 0.193455 Na\n0.172329 0.815044 0.241288 Na\n0.094308 0.046049 0.772367 Na\n0.951571 0.273743 0.046287 Na\n0.564084 0.193736 0.930278 Na\n0.649438 0.497743 0.544146 Na\n0.152467 0.049157 0.504745 Na\n0.927517 0.758874 0.574584 Na\n0.897953 0.545660 0.051038 Na\n0.645074 0.576619 0.817392 Na\n0.886317 0.422721 0.710956 Ca\n0.452934 0.286524 0.577504 Ca\n0.829609 0.709201 0.289369 Ca\n0.000824 0.501572 0.498440 Al\n0.500464 0.998143 0.500038 Al\n0.999724 0.000647 0.999837 Al\n0.500678 0.000654 0.999954 Al\n0.496843 0.499256 0.000832 Al\n0.224454 0.287911 0.922254 P\n0.322405 0.625804 0.157004 P\n0.698224 0.922385 0.634468 P\n0.293430 0.553116 0.847026 P\n0.303347 0.469298 0.626001 P\n0.553484 0.846242 0.293250 P\n0.063760 0.365441 0.288091 P\n0.695069 0.834656 0.975361 P\n0.833756 0.156398 0.530163 P\n0.260258 0.705390 0.552502 P\n0.280240 0.975354 0.140587 P\n0.139710 0.859417 0.834806 P\n0.860709 0.141582 0.165896 P\n0.719127 0.024324 0.858441 P\n0.740741 0.293288 0.446853 P\n0.166405 0.843166 0.469532 P\n0.305118 0.165767 0.024268 P\n0.937555 0.635032 0.711935 P\n0.446607 0.152851 0.705556 P\n0.696479 0.529829 0.373503 P\n0.706698 0.447257 0.153434 P\n0.302408 0.076528 0.364809 P\n0.676658 0.373405 0.843689 P\n0.774526 0.711708 0.076572 P\n0.102106 0.213916 0.815816 O\n0.161368 0.339420 0.009080 O\n0.344188 0.366651 0.912741 O\n0.369765 0.608674 0.248289 O\n0.714662 0.816088 0.602430 O\n0.355890 0.554306 0.060178 O\n0.244442 0.358903 0.608292 O\n0.438958 0.533793 0.892150 O\n0.142819 0.463053 0.807998 O\n0.153670 0.619867 0.123527 O\n0.666007 0.808448 0.345181 O\n0.177870 0.329920 0.339806 O\n0.466916 0.491505 0.619154 O\n0.569311 0.913194 0.546468 O\n0.424663 0.743603 0.188045 O\n0.847718 0.009428 0.669812 O\n0.318510 0.554647 0.742861 O\n0.283732 0.659584 0.911640 O\n0.197981 0.492696 0.554050 O\n0.679419 0.780059 0.047803 O\n0.454217 0.892981 0.358482 O\n0.628122 0.912149 0.252456 O\n0.111556 0.397238 0.213619 O\n0.646648 0.749386 0.863265 O\n0.022451 0.453217 0.366820 O\n0.704830 0.061400 0.507655 O\n0.971409 0.125448 0.505476 O\n0.216591 0.863350 0.113819 O\n0.862372 0.908929 0.026598 O\n0.100475 0.732042 0.780339 O\n0.574182 0.889498 0.993740 O\n0.094696 0.642375 0.535674 O\n0.316498 0.652824 0.462406 O\n0.374533 0.748020 0.660177 O\n0.878123 0.250438 0.638827 O\n0.368447 0.048028 0.267810 O\n0.896782 0.113529 0.250407 O\n0.419551 0.993776 0.104231 O\n0.762358 0.187758 0.444320 O\n0.315259 0.895643 0.889881 O\n0.046890 0.882327 0.909275 O\n0.835359 0.973439 0.882678 O\n0.164206 0.026638 0.117622 O\n0.952922 0.117260 0.091027 O\n0.684638 0.103928 0.110560 O\n0.235666 0.811979 0.554865 O\n0.580587 0.006166 0.895933 O\n0.103188 0.886339 0.749661 O\n0.631273 0.952556 0.732611 O\n0.114145 0.751365 0.358857 O\n0.623282 0.253161 0.341576 O\n0.683493 0.345915 0.539753 O\n0.905281 0.358969 0.467911 O\n0.425542 0.110146 0.006146 O\n0.898515 0.267305 0.220135 O\n0.138117 0.090699 0.973469 O\n0.782905 0.136881 0.886583 O\n0.026146 0.873897 0.492111 O\n0.294689 0.939467 0.492826 O\n0.975433 0.543476 0.633981 O\n0.353802 0.250114 0.136792 O\n0.887774 0.599206 0.784780 O\n0.371375 0.088420 0.747140 O\n0.547961 0.108518 0.641659 O\n0.321219 0.219801 0.952373 O\n0.802738 0.507498 0.446895 O\n0.716826 0.341147 0.088017 O\n0.681491 0.444246 0.256558 O\n0.152118 0.991178 0.330163 O\n0.575487 0.257168 0.812185 O\n0.431812 0.090040 0.456171 O\n0.535045 0.504815 0.380951 O\n0.821893 0.669595 0.661158 O\n0.340102 0.192813 0.652274 O\n0.847247 0.381697 0.872025 O\n0.852617 0.540294 0.192319 O\n0.560700 0.466203 0.107833 O\n0.760557 0.638884 0.389321 O\n0.644330 0.447083 0.938499 O\n0.288589 0.185199 0.400432 O\n0.634039 0.389634 0.749106 O\n0.658147 0.633598 0.089370 O\n0.838679 0.660792 0.990725 O\n0.896982 0.784940 0.184871 O\n",
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"formula_full": "Na27 Ca3 Al5 P24 O84",
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{
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"created_at": "2022-09-04T14:47:04.317111Z",
"structure_string": "Na16 Mo8 H16 O32\n1.0\n8.700574 0.000000 0.000000\n0.000000 10.538603 0.000000\n0.000000 0.000000 13.910237\nNa Mo H O\n16 8 16 32\ndirect\n0.166467 0.003685 0.432576 Na\n0.833533 0.996315 0.567424 Na\n0.333533 0.996315 0.932576 Na\n0.833533 0.503685 0.067424 Na\n0.666467 0.003685 0.067424 Na\n0.166467 0.496315 0.932576 Na\n0.666467 0.496315 0.567424 Na\n0.333533 0.503685 0.432576 Na\n0.251985 0.443732 0.138029 Na\n0.748015 0.556268 0.861971 Na\n0.248015 0.556268 0.638029 Na\n0.748015 0.943732 0.361971 Na\n0.751985 0.443732 0.361971 Na\n0.251985 0.056268 0.638029 Na\n0.751985 0.056268 0.861971 Na\n0.248015 0.943732 0.138029 Na\n0.008291 0.201298 0.024929 Mo\n0.991709 0.798702 0.975071 Mo\n0.491709 0.798702 0.524929 Mo\n0.991709 0.701298 0.475071 Mo\n0.508291 0.201298 0.475071 Mo\n0.008291 0.298702 0.524929 Mo\n0.508291 0.298702 0.975071 Mo\n0.491709 0.701298 0.024929 Mo\n0.223091 0.346740 0.301982 H\n0.776909 0.653260 0.698018 H\n0.276909 0.653260 0.801982 H\n0.776909 0.846740 0.198018 H\n0.723091 0.346740 0.198018 H\n0.223091 0.153260 0.801982 H\n0.723091 0.153260 0.698018 H\n0.276909 0.846740 0.301982 H\n0.464678 0.100841 0.204021 H\n0.535322 0.899159 0.795979 H\n0.035322 0.899159 0.704021 H\n0.535322 0.600841 0.295979 H\n0.964678 0.100841 0.295979 H\n0.464678 0.399159 0.704021 H\n0.964678 0.399159 0.795979 H\n0.035322 0.600841 0.204021 H\n0.450306 0.316636 0.097652 O\n0.549694 0.683364 0.902348 O\n0.049694 0.683364 0.597652 O\n0.549694 0.816636 0.402348 O\n0.950306 0.316636 0.402348 O\n0.450306 0.183364 0.597652 O\n0.950306 0.183364 0.902348 O\n0.049694 0.816636 0.097652 O\n0.180434 0.109132 0.041994 O\n0.819566 0.890868 0.958006 O\n0.319566 0.890868 0.541994 O\n0.819566 0.609132 0.458006 O\n0.680434 0.109132 0.458006 O\n0.180434 0.390868 0.541994 O\n0.680434 0.390868 0.958006 O\n0.319566 0.609132 0.041994 O\n0.046648 0.369031 0.050906 O\n0.953352 0.630969 0.949094 O\n0.453352 0.630969 0.550906 O\n0.953352 0.869031 0.449094 O\n0.546648 0.369031 0.449094 O\n0.046648 0.130969 0.550906 O\n0.546648 0.130969 0.949094 O\n0.453352 0.869031 0.050906 O\n0.361985 0.145497 0.395239 O\n0.638015 0.854503 0.604761 O\n0.138015 0.854503 0.895239 O\n0.638015 0.645497 0.104761 O\n0.861985 0.145497 0.104761 O\n0.361985 0.354503 0.895239 O\n0.861985 0.354503 0.604761 O\n0.138015 0.645497 0.395239 O\n",
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{
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{
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"structure_string": "Cr12 O24\n1.0\n2.976989 5.168736 0.000000\n-2.976989 5.168736 0.000000\n0.000000 0.036061 14.245927\nCr O\n12 24\ndirect\n0.657546 0.657546 0.834741 Cr\n0.657911 0.184816 0.834669 Cr\n0.991082 0.991082 0.503851 Cr\n0.184816 0.657911 0.834669 Cr\n0.991937 0.517824 0.504554 Cr\n0.167013 0.167013 0.340816 Cr\n0.166774 0.166774 0.715634 Cr\n0.330061 0.330061 0.160631 Cr\n0.517824 0.991937 0.504554 Cr\n0.328427 0.842761 0.167977 Cr\n0.842761 0.328427 0.167977 Cr\n0.832355 0.832355 0.043441 Cr\n0.350148 0.350148 0.900692 O\n0.500371 0.500371 0.759877 O\n0.349599 0.799489 0.900652 O\n0.799489 0.349599 0.900652 O\n0.676730 0.676730 0.564125 O\n0.497093 0.001540 0.761945 O\n0.833942 0.833942 0.430251 O\n0.001540 0.497093 0.761945 O\n0.833243 0.833243 0.911689 O\n0.677558 0.146640 0.564184 O\n0.146639 0.677558 0.564184 O\n0.001511 0.001511 0.761817 O\n0.024618 0.024618 0.246575 O\n0.886620 0.307369 0.426125 O\n0.307369 0.886620 0.426125 O\n0.162593 0.162593 0.094537 O\n0.166835 0.166835 0.586037 O\n0.027221 0.445181 0.244638 O\n0.445181 0.027221 0.244638 O\n0.306168 0.306168 0.426930 O\n0.151993 0.673725 0.093511 O\n0.673725 0.151993 0.093511 O\n0.502293 0.502293 0.218466 O\n0.674061 0.674061 0.092716 O\n",
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