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{
"id": "mp-569337",
"created_at": "2022-09-04T14:46:41.670672Z",
"structure_string": "Na32 Si16 Te40\n1.0\n12.967561 0.000000 0.000000\n0.000000 14.248392 0.000000\n0.000000 0.550114 15.057978\nNa Si Te\n32 16 40\ndirect\n0.088984 0.803124 0.139282 Na\n0.122769 0.095139 0.048184 Na\n0.911016 0.196876 0.860718 Na\n0.877231 0.904861 0.951816 Na\n0.907239 0.507518 0.729632 Na\n0.878155 0.096927 0.559963 Na\n0.635223 0.577651 0.572424 Na\n0.588984 0.196876 0.360718 Na\n0.634948 0.382149 0.965968 Na\n0.407239 0.492482 0.770368 Na\n0.135223 0.422349 0.927576 Na\n0.411016 0.803124 0.639282 Na\n0.365052 0.617851 0.034032 Na\n0.121845 0.903073 0.440037 Na\n0.865052 0.382149 0.465968 Na\n0.843787 0.987278 0.234869 Na\n0.857229 0.710401 0.348143 Na\n0.621845 0.096927 0.059963 Na\n0.142771 0.289599 0.651857 Na\n0.378155 0.903073 0.940037 Na\n0.156213 0.012722 0.765131 Na\n0.364777 0.422349 0.427576 Na\n0.592761 0.507518 0.229632 Na\n0.656213 0.987278 0.734869 Na\n0.622769 0.904861 0.451816 Na\n0.357229 0.289599 0.151857 Na\n0.377231 0.095139 0.548184 Na\n0.092761 0.492482 0.270368 Na\n0.642771 0.710401 0.848143 Na\n0.864777 0.577651 0.072424 Na\n0.134948 0.617851 0.534032 Na\n0.343787 0.012722 0.265131 Na\n0.591477 0.277825 0.590850 Si\n0.340369 0.221257 0.913194 Si\n0.057865 0.175809 0.291034 Si\n0.807213 0.318843 0.213699 Si\n0.307213 0.681157 0.286301 Si\n0.408523 0.722175 0.409150 Si\n0.908523 0.277825 0.090850 Si\n0.091477 0.722175 0.909150 Si\n0.659631 0.778743 0.086806 Si\n0.159631 0.221257 0.413194 Si\n0.192787 0.681157 0.786301 Si\n0.557865 0.824191 0.208966 Si\n0.942135 0.824191 0.708966 Si\n0.442135 0.175809 0.791034 Si\n0.840369 0.778743 0.586806 Si\n0.692787 0.318843 0.713699 Si\n0.127645 0.103402 0.538906 Te\n0.622426 0.292124 0.170437 Te\n0.372355 0.103402 0.038906 Te\n0.595562 0.989983 0.247969 Te\n0.365194 0.807300 0.166001 Te\n0.408323 0.293795 0.659779 Te\n0.122426 0.707876 0.329563 Te\n0.841549 0.480964 0.265336 Te\n0.158451 0.519036 0.734664 Te\n0.128325 0.888419 0.949081 Te\n0.591677 0.706205 0.340221 Te\n0.627645 0.896598 0.961094 Te\n0.115321 0.384489 0.460436 Te\n0.872355 0.896598 0.461094 Te\n0.658340 0.786161 0.647377 Te\n0.634806 0.192700 0.833999 Te\n0.883891 0.390538 0.962158 Te\n0.384679 0.384489 0.960436 Te\n0.404438 0.010017 0.752031 Te\n0.841660 0.786161 0.147377 Te\n0.383891 0.609462 0.537842 Te\n0.884679 0.615511 0.539564 Te\n0.616109 0.390538 0.462158 Te\n0.658451 0.480964 0.765336 Te\n0.091677 0.293795 0.159779 Te\n0.134806 0.807300 0.666001 Te\n0.377574 0.707876 0.829563 Te\n0.371675 0.888419 0.449081 Te\n0.095562 0.010017 0.252031 Te\n0.341660 0.213839 0.352623 Te\n0.871675 0.111581 0.050919 Te\n0.628325 0.111581 0.550919 Te\n0.615321 0.615511 0.039564 Te\n0.116109 0.609462 0.037842 Te\n0.904438 0.989983 0.747969 Te\n0.865194 0.192700 0.333999 Te\n0.877574 0.292124 0.670437 Te\n0.341549 0.519036 0.234664 Te\n0.158340 0.213839 0.852623 Te\n0.908323 0.706205 0.840221 Te\n",
"nsites": 88,
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"formula_full": "Na32 Si16 Te40",
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"spacegroup": 14
},
{
"id": "mp-1020106",
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"structure_string": "Li4 B4 S8 O32\n1.0\n9.554102 0.000000 0.000000\n0.000000 7.792671 0.000000\n0.000000 0.348021 8.573364\nLi B S O\n4 4 8 32\ndirect\n0.876391 0.237587 0.465855 Li\n0.123609 0.237587 0.965855 Li\n0.331829 0.721914 0.131122 Li\n0.668171 0.721914 0.631122 Li\n0.602361 0.218555 0.982622 B\n0.397639 0.218555 0.482622 B\n0.146621 0.733250 0.603044 B\n0.853379 0.733250 0.103044 B\n0.623743 0.572275 0.985951 S\n0.376257 0.572275 0.485951 S\n0.612038 0.120892 0.678715 S\n0.387962 0.120892 0.178715 S\n0.941570 0.645710 0.402625 S\n0.058430 0.645710 0.902625 S\n0.161808 0.084377 0.621132 S\n0.838192 0.084377 0.121132 S\n0.676709 0.574571 0.828250 O\n0.323291 0.574571 0.328250 O\n0.510653 0.687257 0.018987 O\n0.489347 0.687257 0.518987 O\n0.708362 0.234129 0.595545 O\n0.291638 0.234129 0.095545 O\n0.661062 0.951197 0.724068 O\n0.338938 0.951197 0.224068 O\n0.965887 0.465059 0.435653 O\n0.034113 0.465059 0.935653 O\n0.813506 0.717780 0.461028 O\n0.186494 0.717780 0.961028 O\n0.017624 0.089934 0.571577 O\n0.982376 0.089934 0.071577 O\n0.196316 0.160344 0.766347 O\n0.803684 0.160344 0.266347 O\n0.575028 0.391311 0.039755 O\n0.424972 0.391311 0.539755 O\n0.745552 0.597314 0.103443 O\n0.254448 0.597314 0.603443 O\n0.553073 0.213372 0.820260 O\n0.446927 0.213372 0.320260 O\n0.477580 0.095721 0.582850 O\n0.522420 0.095721 0.082850 O\n0.043638 0.684817 0.725639 O\n0.956362 0.684817 0.225639 O\n0.069612 0.750751 0.454353 O\n0.930388 0.750751 0.954353 O\n0.752006 0.170958 0.987139 O\n0.247994 0.170958 0.487139 O\n0.217590 0.897786 0.629109 O\n0.782410 0.897786 0.129109 O\n",
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"O"
],
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"formula_full": "Li4 B4 S8 O32",
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{
"id": "mp-1197011",
"created_at": "2022-09-04T14:46:41.680199Z",
"structure_string": "As8 S8 O36\n1.0\n6.867680 0.000000 0.000000\n0.000000 6.865364 0.000000\n0.000000 1.602165 17.406681\nAs S O\n8 8 36\ndirect\n0.014885 0.002962 0.502484 As\n0.985115 0.002962 0.002484 As\n0.870432 0.114636 0.667838 As\n0.129568 0.114636 0.167838 As\n0.373875 0.485134 0.759329 As\n0.626125 0.485134 0.259329 As\n0.515179 0.595001 0.925230 As\n0.484821 0.595001 0.425230 As\n0.977155 0.449458 0.533560 S\n0.022845 0.449458 0.033560 S\n0.321988 0.024234 0.641129 S\n0.678012 0.024234 0.141129 S\n0.469522 0.149224 0.892518 S\n0.530478 0.149224 0.392518 S\n0.824524 0.574377 0.788571 S\n0.175476 0.574377 0.288571 S\n0.866927 0.971504 0.586971 O\n0.133073 0.971504 0.086971 O\n0.371464 0.630409 0.839499 O\n0.628536 0.630409 0.339499 O\n0.989780 0.275723 0.481494 O\n0.010220 0.275723 0.981494 O\n0.883472 0.365024 0.610456 O\n0.116528 0.365024 0.110456 O\n0.839873 0.588505 0.496897 O\n0.160127 0.588505 0.996897 O\n0.169460 0.522159 0.547465 O\n0.830540 0.522159 0.047465 O\n0.258257 0.018351 0.555857 O\n0.741743 0.018351 0.055857 O\n0.143462 0.099761 0.685149 O\n0.856538 0.099761 0.185149 O\n0.471628 0.172405 0.643008 O\n0.528372 0.172405 0.143008 O\n0.371272 0.829278 0.672712 O\n0.628728 0.829278 0.172712 O\n0.365484 0.236261 0.818359 O\n0.634516 0.236261 0.318359 O\n0.488125 0.321871 0.944929 O\n0.511875 0.321871 0.444929 O\n0.338552 0.008212 0.931736 O\n0.661448 0.008212 0.431736 O\n0.660422 0.078015 0.874506 O\n0.339578 0.078015 0.374506 O\n0.650756 0.478655 0.748159 O\n0.349244 0.478655 0.248159 O\n0.760970 0.587311 0.873579 O\n0.239030 0.587311 0.373579 O\n0.982953 0.435041 0.788428 O\n0.017047 0.435041 0.288428 O\n0.860763 0.768987 0.753537 O\n0.139237 0.768987 0.253537 O\n",
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{
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"structure_string": "Mg4 Fe4 Si4 O16\n1.0\n-4.818199 -0.000005 -0.000009\n-0.000012 0.000005 -6.145307\n-0.000010 -10.516278 0.000009\nMg Fe Si O\n4 4 4 16\ndirect\n0.499997 0.999999 0.500000 Mg\n0.999997 0.500001 0.999999 Mg\n0.499997 0.500001 0.499998 Mg\n0.999999 0.999998 0.999999 Mg\n0.512056 0.249994 0.778267 Fe\n0.987997 0.250011 0.278240 Fe\n0.487972 0.749990 0.221766 Fe\n0.012035 0.750008 0.721751 Fe\n0.926936 0.749998 0.406522 Si\n0.573059 0.749997 0.906522 Si\n0.073060 0.249996 0.593480 Si\n0.426935 0.249999 0.093480 Si\n0.265475 0.750000 0.412932 O\n0.234520 0.750000 0.912932 O\n0.734518 0.250001 0.587067 O\n0.765476 0.249999 0.087067 O\n0.727551 0.750000 0.049092 O\n0.772443 0.750000 0.549092 O\n0.272448 0.249999 0.950904 O\n0.227547 0.250001 0.450904 O\n0.782539 0.965172 0.337972 O\n0.717453 0.534830 0.837973 O\n0.217465 0.465173 0.662025 O\n0.282532 0.034831 0.162023 O\n0.217451 0.034817 0.662022 O\n0.282543 0.465186 0.162023 O\n0.782553 0.534814 0.337975 O\n0.717444 0.965189 0.837972 O\n",
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{
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"structure_string": "Mn4 H24 S4 O24\n1.0\n5.844389 0.000000 0.000000\n0.000000 9.821966 0.000000\n0.000000 0.000000 9.956108\nMn H S O\n4 24 4 24\ndirect\n0.767975 0.175945 0.793995 Mn\n0.232025 0.675945 0.706005 Mn\n0.732025 0.824055 0.293995 Mn\n0.267975 0.324055 0.206005 Mn\n0.479476 0.394198 0.635646 H\n0.520524 0.894198 0.864354 H\n0.020524 0.605802 0.135646 H\n0.979476 0.105802 0.364354 H\n0.692310 0.308488 0.607720 H\n0.307690 0.808488 0.892280 H\n0.807690 0.691512 0.107720 H\n0.192310 0.191512 0.392280 H\n0.984288 0.396306 0.630456 H\n0.015712 0.896306 0.869544 H\n0.515712 0.603694 0.130456 H\n0.484288 0.103694 0.369544 H\n0.999776 0.260280 0.539049 H\n0.000224 0.760280 0.960951 H\n0.500224 0.739720 0.039049 H\n0.499776 0.239720 0.460951 H\n0.888781 0.971249 0.599621 H\n0.111219 0.471249 0.900379 H\n0.611219 0.028751 0.099621 H\n0.388781 0.528751 0.400379 H\n0.618999 0.973557 0.601187 H\n0.381001 0.473557 0.898813 H\n0.881001 0.026443 0.101187 H\n0.118999 0.526443 0.398813 H\n0.263500 0.160168 0.934257 S\n0.736500 0.660168 0.565743 S\n0.236500 0.839832 0.434257 S\n0.763500 0.339832 0.065743 S\n0.764306 0.358707 0.911227 O\n0.235694 0.858707 0.588773 O\n0.735694 0.641293 0.411227 O\n0.264306 0.141293 0.088773 O\n0.054096 0.073298 0.886981 O\n0.945904 0.573298 0.613019 O\n0.445904 0.926702 0.386981 O\n0.554096 0.426702 0.113019 O\n0.480197 0.081093 0.888416 O\n0.519803 0.581094 0.611584 O\n0.019803 0.918906 0.388416 O\n0.980197 0.418907 0.111584 O\n0.524078 0.297779 0.622910 O\n0.475922 0.797779 0.877090 O\n0.975922 0.702221 0.122910 O\n0.024078 0.202221 0.377090 O\n0.971334 0.295072 0.632393 O\n0.028666 0.795072 0.867607 O\n0.528666 0.704928 0.132393 O\n0.471334 0.204928 0.367607 O\n0.755890 0.018227 0.637664 O\n0.244110 0.518227 0.862336 O\n0.744110 0.981773 0.137664 O\n0.255890 0.481773 0.362336 O\n",
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{
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"structure_string": "Hf2 Cu1 Mo1\n1.0\n-5.036677 5.406911 7.589143\n5.036677 -5.406911 7.589143\n5.036677 5.406911 -7.589143\nHf Cu Mo\n2 1 1\ndirect\n0.000000 0.264730 0.264730 Hf\n0.000000 0.735270 0.735270 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Mo\n",
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{
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{
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{
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{
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{
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"structure_string": "Ca4 Mn4 O10\n1.0\n5.288572 0.000000 0.000000\n0.000000 5.427446 0.000000\n0.000000 0.000000 8.305264\nCa Mn O\n4 4 10\ndirect\n0.040654 0.702061 0.500000 Ca\n0.540654 0.297939 0.000000 Ca\n0.465129 0.213397 0.500000 Ca\n0.965129 0.786603 0.000000 Ca\n0.495852 0.748782 0.770263 Mn\n0.995852 0.251218 0.729737 Mn\n0.995852 0.251218 0.270263 Mn\n0.495852 0.748782 0.229737 Mn\n0.292682 0.473704 0.311100 O\n0.792682 0.526296 0.188900 O\n0.229180 0.970124 0.689320 O\n0.729180 0.029876 0.810680 O\n0.729180 0.029876 0.189320 O\n0.229180 0.970124 0.310680 O\n0.792682 0.526296 0.811100 O\n0.292682 0.473704 0.688900 O\n0.879305 0.291451 0.500000 O\n0.379305 0.708549 0.000000 O\n",
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}