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{
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{
"id": "mp-1355331",
"created_at": "2022-09-04T14:40:00.618289Z",
"structure_string": "Sr6 H10 Os4 O16\n1.0\n-5.877961 0.000000 0.000000\n2.854687 9.524869 0.000000\n-0.542912 -4.888060 -9.612853\nSr H Os O\n6 10 4 16\ndirect\n0.054452 0.241156 0.346724 Sr\n0.945548 0.758844 0.653276 Sr\n0.745047 0.353392 0.597622 Sr\n0.254953 0.646608 0.402378 Sr\n0.608031 0.864447 0.918865 Sr\n0.391969 0.135553 0.081135 Sr\n0.685292 0.989789 0.312342 H\n0.314708 0.010211 0.687658 H\n0.234849 0.241531 0.628088 H\n0.765151 0.758469 0.371912 H\n0.346475 0.430958 0.165005 H\n0.653525 0.569042 0.834995 H\n0.089448 0.328581 0.857471 H\n0.910552 0.671419 0.142529 H\n0.497332 0.752517 0.611668 H\n0.502668 0.247483 0.388332 H\n0.108786 0.057260 0.744890 Os\n0.891214 0.942740 0.255110 Os\n0.394354 0.574462 0.735975 Os\n0.605646 0.425538 0.264025 Os\n0.258141 0.361483 0.885457 O\n0.741859 0.638517 0.114543 O\n0.359380 0.086995 0.864448 O\n0.640620 0.913005 0.135552 O\n0.069356 0.559387 0.621249 O\n0.930644 0.440613 0.378751 O\n0.472872 0.489552 0.357503 O\n0.527128 0.510448 0.642497 O\n0.889007 0.128617 0.796274 O\n0.110993 0.871383 0.203726 O\n0.337751 0.684078 0.813184 O\n0.662249 0.315922 0.186816 O\n0.933266 0.056535 0.584497 O\n0.066734 0.943465 0.415503 O\n0.024874 0.158326 0.155437 O\n0.975126 0.841674 0.844563 O\n",
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{
"id": "mp-765775",
"created_at": "2022-09-04T14:40:00.536969Z",
"structure_string": "Li2 V2 Si1 Ge1 O10\n1.0\n4.514239 -4.554291 0.000000\n4.514239 4.554291 0.000000\n0.000000 0.000000 4.666786\nLi V Si Ge O\n2 2 1 1 10\ndirect\n0.239940 0.760060 0.000000 Li\n0.760060 0.239940 0.000000 Li\n0.500000 0.000000 0.608858 V\n0.000000 0.500000 0.391142 V\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Ge\n0.004972 0.791087 0.294315 O\n0.208913 0.995028 0.705685 O\n0.500000 0.000000 0.259035 O\n0.791087 0.004972 0.705685 O\n0.995028 0.208913 0.294315 O\n0.507164 0.280920 0.729499 O\n0.719080 0.492836 0.270501 O\n0.280920 0.507164 0.270501 O\n0.000000 0.500000 0.740965 O\n0.492836 0.719080 0.729499 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Ge-Li-O-Si-V",
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"formula_full": "Li2 V2 Si1 Ge1 O10",
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},
{
"id": "mp-10366",
"created_at": "2022-09-04T14:40:00.559391Z",
"structure_string": "Nb4 Co6 Si2\n1.0\n2.434021 -4.215847 0.000000\n2.434021 4.215847 0.000000\n0.000000 0.000000 7.551982\nNb Co Si\n4 6 2\ndirect\n0.666667 0.333333 0.939895 Nb\n0.333333 0.666667 0.439895 Nb\n0.666667 0.333333 0.560105 Nb\n0.333333 0.666667 0.060105 Nb\n0.169876 0.830124 0.750000 Co\n0.660248 0.830124 0.750000 Co\n0.830124 0.169876 0.250000 Co\n0.169876 0.339752 0.750000 Co\n0.830124 0.660248 0.250000 Co\n0.339752 0.169876 0.250000 Co\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n",
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],
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"formula_full": "Nb4 Co6 Si2",
"formula_reduced": "Nb2Co3Si",
"formula_anonymous": "AB2C3",
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"spacegroup": 194
},
{
"id": "mp-10426",
"created_at": "2022-09-04T14:40:00.570215Z",
"structure_string": "Nb2 O5\n1.0\n2.626306 3.091102 0.000000\n-2.626306 3.091102 0.000000\n0.000000 2.800159 5.130743\nNb O\n2 5\ndirect\n0.849698 0.770908 0.295059 Nb\n0.229092 0.150302 0.704941 Nb\n0.282860 0.717140 0.500000 O\n0.637316 0.208934 0.353734 O\n0.237886 0.115920 0.036049 O\n0.884080 0.762114 0.963951 O\n0.791066 0.362684 0.646266 O\n",
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"density": 5.2984775903101,
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"updated_at": "2021-11-28T01:34:45.341000Z",
"spacegroup": 5
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{
"id": "mp-1181360",
"created_at": "2022-09-04T14:40:00.581637Z",
"structure_string": "Na1 Al3 Fe6 S2 O38\n1.0\n4.386705 2.457306 11.874838\n-4.424255 2.403917 11.890079\n-0.066344 -5.106278 11.926183\nNa Al Fe S O\n1 3 6 2 38\ndirect\n0.000948 0.992466 0.005393 Na\n0.833714 0.832552 0.832931 Al\n0.165305 0.168964 0.167743 Al\n0.501818 0.498608 0.498892 Al\n0.498230 0.166117 0.832547 Fe\n0.168313 0.835158 0.499750 Fe\n0.832907 0.501890 0.165702 Fe\n0.500166 0.831308 0.166676 Fe\n0.834123 0.162241 0.502584 Fe\n0.169013 0.498862 0.835315 Fe\n0.305969 0.299419 0.299227 S\n0.700471 0.696352 0.699025 S\n0.648750 0.664353 0.656863 O\n0.342270 0.340143 0.348250 O\n0.404491 0.104584 0.352455 O\n0.108394 0.360024 0.403845 O\n0.362104 0.401647 0.102420 O\n0.596288 0.895202 0.638180 O\n0.895592 0.641288 0.598375 O\n0.648263 0.594509 0.894682 O\n0.297142 0.975946 0.308168 O\n0.969533 0.305571 0.305367 O\n0.295013 0.312575 0.975229 O\n0.706786 0.020666 0.688695 O\n0.032209 0.694966 0.696480 O\n0.705162 0.686545 0.025693 O\n0.962227 0.978641 0.642474 O\n0.964578 0.643427 0.975151 O\n0.637868 0.968405 0.971064 O\n0.025032 0.032888 0.361830 O\n0.025121 0.362050 0.033118 O\n0.354542 0.035537 0.028796 O\n0.640818 0.302291 0.635576 O\n0.312446 0.633866 0.635541 O\n0.644590 0.630932 0.305481 O\n0.371327 0.690644 0.357221 O\n0.696103 0.359965 0.363064 O\n0.365607 0.360510 0.692283 O\n0.745599 0.314267 0.775676 O\n0.308200 0.777595 0.744934 O\n0.774669 0.744958 0.306877 O\n0.254936 0.692327 0.222602 O\n0.681041 0.234426 0.248590 O\n0.215930 0.256856 0.694157 O\n0.892308 0.188405 0.776223 O\n0.189689 0.766709 0.897103 O\n0.773754 0.895094 0.181854 O\n0.103643 0.810952 0.231602 O\n0.810222 0.234222 0.102867 O\n0.226681 0.103077 0.815431 O\n",
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"S",
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],
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"density": 2.3355476731638403,
"density_atomic": 0.06329245880075583,
"volume": 789.9835295923581,
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"formula_full": "Na1 Al3 Fe6 S2 O38",
"formula_reduced": "NaAl3Fe6(SO19)2",
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"updated_at": "2021-11-28T01:34:47.570000Z",
"spacegroup": 1
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{
"id": "mp-26255",
"created_at": "2022-09-04T14:40:00.588268Z",
"structure_string": "Li8 Fe4 P8 O28\n1.0\n13.615598 0.000000 0.000000\n0.000000 5.114407 0.000000\n0.000000 0.336209 8.021412\nLi Fe P O\n8 4 8 28\ndirect\n0.103126 0.165153 0.864701 Li\n0.896874 0.834847 0.135299 Li\n0.305673 0.251818 0.166435 Li\n0.805673 0.248182 0.333565 Li\n0.396874 0.665153 0.364701 Li\n0.694327 0.748182 0.833565 Li\n0.194327 0.751818 0.666435 Li\n0.603126 0.334847 0.635299 Li\n0.161068 0.789854 0.238227 Fe\n0.661068 0.710146 0.261773 Fe\n0.338932 0.289854 0.738227 Fe\n0.838932 0.210146 0.761773 Fe\n0.822145 0.738981 0.533256 P\n0.177855 0.261019 0.466744 P\n0.529417 0.197810 0.276835 P\n0.029417 0.302190 0.223165 P\n0.322145 0.761019 0.966744 P\n0.970583 0.697810 0.776835 P\n0.677855 0.238981 0.033256 P\n0.470583 0.802190 0.723165 P\n0.937496 0.723074 0.578230 O\n0.105171 0.144574 0.124066 O\n0.562504 0.223074 0.078230 O\n0.705904 0.530047 0.046616 O\n0.294096 0.469953 0.953384 O\n0.437496 0.776926 0.921770 O\n0.894829 0.855426 0.875934 O\n0.268343 0.941439 0.839438 O\n0.690562 0.148014 0.854073 O\n0.964185 0.399797 0.819971 O\n0.072617 0.811267 0.781132 O\n0.572617 0.688733 0.718868 O\n0.464185 0.100203 0.680029 O\n0.309438 0.851986 0.145927 O\n0.190562 0.351986 0.645927 O\n0.394829 0.644574 0.624066 O\n0.768343 0.558561 0.660562 O\n0.794096 0.030047 0.546616 O\n0.205904 0.969953 0.453384 O\n0.062504 0.276926 0.421770 O\n0.605171 0.355426 0.375934 O\n0.809438 0.648014 0.354073 O\n0.231657 0.441439 0.339438 O\n0.535815 0.899797 0.319971 O\n0.427383 0.311267 0.281132 O\n0.927383 0.188733 0.218868 O\n0.035815 0.600203 0.180029 O\n0.731657 0.058561 0.160562 O\n",
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{
"id": "mp-1364133",
"created_at": "2022-09-04T14:40:00.597293Z",
"structure_string": "Ti45 Se16\n1.0\n-3.465363 0.000000 0.000000\n-0.001660 -16.459682 0.000000\n1.732748 0.486975 17.695421\nTi Se\n45 16\ndirect\n0.272082 0.656358 0.455962 Ti\n0.658624 0.067535 0.684993 Ti\n0.648011 0.469707 0.712332 Ti\n0.622681 0.667259 0.756891 Ti\n0.440853 0.559343 0.119066 Ti\n0.358548 0.529932 0.286922 Ti\n0.381169 0.332104 0.243489 Ti\n0.473383 0.368279 0.057730 Ti\n0.567851 0.834275 0.865825 Ti\n0.965648 0.044792 0.073513 Ti\n0.733436 0.342036 0.543947 Ti\n0.561692 0.441128 0.881158 Ti\n0.697818 0.900118 0.599003 Ti\n0.134378 0.933780 0.731538 Ti\n0.740246 0.139118 0.526514 Ti\n0.302717 0.099196 0.401014 Ti\n0.782087 0.980298 0.438033 Ti\n0.184938 0.748635 0.627212 Ti\n0.782024 0.514378 0.440993 Ti\n0.183947 0.204470 0.640201 Ti\n0.262028 0.860233 0.473467 Ti\n0.994819 0.203735 0.013850 Ti\n0.092357 0.124944 0.821367 Ti\n0.000769 0.499879 0.000331 Ti\n0.897653 0.663612 0.206094 Ti\n0.912761 0.874737 0.178919 Ti\n0.915658 0.449336 0.172496 Ti\n0.088223 0.550570 0.827033 Ti\n0.523201 0.091178 0.957610 Ti\n0.435002 0.165525 0.134262 Ti\n0.528904 0.631291 0.942244 Ti\n0.554731 0.246124 0.895282 Ti\n0.293221 0.385351 0.420386 Ti\n0.106672 0.336677 0.793884 Ti\n0.821458 0.794294 0.360025 Ti\n0.447315 0.753890 0.104874 Ti\n0.007373 0.796470 0.986483 Ti\n0.868313 0.065308 0.269831 Ti\n0.711706 0.613710 0.579351 Ti\n0.223617 0.484524 0.559096 Ti\n0.344974 0.931235 0.316147 Ti\n0.218809 0.019393 0.562800 Ti\n0.480250 0.908665 0.043560 Ti\n0.817958 0.250550 0.372250 Ti\n0.038417 0.954958 0.927605 Ti\n0.029395 0.349759 0.945995 Se\n0.179616 0.363606 0.652830 Se\n0.376481 0.781498 0.250109 Se\n0.638736 0.815648 0.721021 Se\n0.972623 0.650420 0.053828 Se\n0.263599 0.241677 0.481479 Se\n0.589437 0.002119 0.825139 Se\n0.070873 0.711127 0.859493 Se\n0.364239 0.183455 0.278904 Se\n0.161505 0.584619 0.681456 Se\n0.843720 0.415266 0.318248 Se\n0.628981 0.218121 0.750081 Se\n0.827394 0.635320 0.346988 Se\n0.739463 0.757354 0.517927 Se\n0.414655 0.997287 0.176193 Se\n0.932009 0.288772 0.140847 Se\n",
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{
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"structure_string": "Tm2 In1 Hg1\n1.0\n0.000000 3.708289 3.708289\n3.708289 0.000000 3.708289\n3.708289 3.708289 0.000000\nTm In Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
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{
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