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{
"id": "mp-1265005",
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"structure_string": "K5 Li10 Al5 Si20 O50 F10\n1.0\n7.427236 0.354981 -0.397958\n-3.514252 5.251401 -0.765831\n0.395281 -1.206141 32.678229\nK Li Al Si O F\n5 10 5 20 50 10\ndirect\n0.390503 0.259673 0.787620 K\n0.500000 0.500000 0.600000 K\n0.609497 0.740327 0.412380 K\n0.693171 0.707394 0.197359 K\n0.306829 0.292606 0.002641 K\n0.247836 0.689669 0.825551 Li\n0.146525 0.176637 0.907541 Li\n0.944273 0.123124 0.631118 Li\n0.246819 0.333196 0.483400 Li\n0.055727 0.876876 0.568882 Li\n0.853475 0.823363 0.292459 Li\n0.229384 0.851589 0.193912 Li\n0.753181 0.666804 0.716600 Li\n0.752164 0.310331 0.374449 Li\n0.770616 0.148411 0.006088 Li\n0.316604 0.617012 0.725102 Al\n0.425596 0.927575 0.270622 Al\n-0.000000 0.000000 0.100000 Al\n0.574404 0.072425 0.929378 Al\n0.683396 0.382988 0.474898 Al\n0.112843 0.664904 0.439626 Si\n0.072218 0.641925 0.322773 Si\n0.229968 0.981550 0.396224 Si\n0.107060 0.681693 0.022027 Si\n0.628491 0.204789 0.100556 Si\n0.736742 0.703002 0.933015 Si\n0.188523 0.765966 0.931274 Si\n0.952856 0.581812 0.632477 Si\n0.294549 0.057920 0.682433 Si\n0.445078 0.884898 0.561829 Si\n0.705451 0.942080 0.517567 Si\n0.811477 0.234034 0.268726 Si\n0.263258 0.296998 0.266985 Si\n0.371509 0.795211 0.099444 Si\n0.892940 0.318307 0.177973 Si\n0.770031 0.018450 0.803776 Si\n0.927782 0.358075 0.877227 Si\n0.554922 0.115102 0.638171 Si\n0.887157 0.335096 0.760374 Si\n0.047144 0.418188 0.567523 Si\n0.451068 0.260059 0.428592 O\n0.198513 0.757133 0.132964 O\n0.073364 0.633701 0.866627 O\n0.246759 0.729108 0.396636 O\n0.708213 0.938782 0.952160 O\n0.109870 0.901318 0.638922 O\n0.202661 0.432439 0.229616 O\n0.079500 0.443905 0.924101 O\n0.542855 0.791332 0.819175 O\n0.257931 0.620271 0.469365 O\n0.273521 0.630060 0.052205 O\n0.246439 0.839205 0.708903 O\n0.951934 0.130849 0.847357 O\n0.568774 0.886822 0.608602 O\n0.359099 0.686288 0.223425 O\n0.140869 0.548952 0.766357 O\n0.186069 0.689262 0.550093 O\n0.267926 0.289991 0.704351 O\n0.249678 0.818225 0.986905 O\n0.138140 0.492554 0.619394 O\n0.314105 0.779650 0.312266 O\n0.092424 0.926073 0.437463 O\n0.129598 0.940462 0.142087 O\n0.982970 0.126312 0.266167 O\n0.080198 0.870072 0.058300 O\n0.017030 0.873688 0.933833 O\n0.907576 0.073927 0.762537 O\n0.685895 0.220350 0.887734 O\n0.732074 0.710009 0.495649 O\n0.813931 0.310738 0.649907 O\n0.859131 0.451048 0.433643 O\n0.640901 0.313712 0.976575 O\n0.048066 0.869151 0.352643 O\n0.753561 0.160795 0.491097 O\n0.726479 0.369940 0.147795 O\n0.742069 0.379729 0.730635 O\n0.457145 0.208668 0.380825 O\n0.919802 0.129928 0.141700 O\n0.920500 0.556095 0.275899 O\n0.797339 0.567561 0.970384 O\n0.890130 0.098682 0.561078 O\n0.291787 0.061218 0.247840 O\n0.870402 0.059538 0.057913 O\n0.753241 0.270892 0.803364 O\n0.926636 0.366299 0.333373 O\n0.801487 0.242867 0.067036 O\n0.861860 0.507446 0.580606 O\n0.750322 0.181775 0.213095 O\n0.548932 0.739941 0.771408 O\n0.431226 0.113178 0.591398 O\n0.466783 0.463939 0.929477 F\n0.540780 0.739168 0.699234 F\n0.692582 0.658566 0.881821 F\n0.214453 0.339953 0.542103 F\n0.785547 0.660047 0.657897 F\n0.307418 0.341434 0.318179 F\n0.459220 0.260832 0.500766 F\n0.521855 0.333966 0.077941 F\n0.533217 0.536061 0.270523 F\n0.478145 0.666034 0.122059 F\n",
"nsites": 100,
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"elements": [
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"volume": 1307.4989673652465,
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"formula_full": "K5 Li10 Al5 Si20 O50 F10",
"formula_reduced": "KLi2AlSi4(O5F)2",
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"energy": -663.41747303,
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"updated_at": "2021-11-28T01:36:59.571000Z",
"spacegroup": 2
},
{
"id": "mp-1097590",
"created_at": "2022-09-04T14:41:03.030645Z",
"structure_string": "Cd1 In1 Hg2\n1.0\n-6.047472 6.318742 8.554543\n6.047472 -6.318742 8.554543\n6.047472 6.318742 -8.554543\nCd In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n0.248016 0.000000 0.248016 Hg\n0.751984 0.000000 0.751984 Hg\n",
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{
"id": "mp-28301",
"created_at": "2022-09-04T14:40:16.863664Z",
"structure_string": "Os8 Br32\n1.0\n6.433247 0.000000 0.000000\n0.000000 13.144012 0.000000\n0.000000 0.000000 15.464289\nOs Br\n8 32\ndirect\n0.596619 0.870814 0.815506 Os\n0.903381 0.370814 0.815506 Os\n0.903381 0.129186 0.315506 Os\n0.403381 0.370814 0.684494 Os\n0.403381 0.129186 0.184494 Os\n0.596619 0.629186 0.315506 Os\n0.096619 0.629186 0.184494 Os\n0.096619 0.870814 0.684494 Os\n0.231228 0.475617 0.806293 Br\n0.758819 0.013272 0.422101 Br\n0.241181 0.986728 0.577899 Br\n0.951031 0.755445 0.577926 Br\n0.925423 0.733166 0.306332 Br\n0.925423 0.766834 0.806332 Br\n0.258819 0.486728 0.577899 Br\n0.548969 0.255445 0.577926 Br\n0.048969 0.244555 0.422074 Br\n0.758819 0.486728 0.922101 Br\n0.241181 0.513272 0.077899 Br\n0.731228 0.024383 0.193707 Br\n0.425423 0.733166 0.193668 Br\n0.768772 0.975617 0.693707 Br\n0.451031 0.744555 0.422074 Br\n0.951031 0.744555 0.077926 Br\n0.574577 0.233166 0.306332 Br\n0.268772 0.975617 0.806293 Br\n0.768772 0.524383 0.193707 Br\n0.574577 0.266834 0.806332 Br\n0.231228 0.024383 0.306293 Br\n0.268772 0.524383 0.306293 Br\n0.548969 0.244555 0.077926 Br\n0.741181 0.986728 0.922101 Br\n0.048969 0.255445 0.922074 Br\n0.731228 0.475617 0.693707 Br\n0.741181 0.513272 0.422101 Br\n0.258819 0.013272 0.077899 Br\n0.425423 0.766834 0.693668 Br\n0.074577 0.233166 0.193668 Br\n0.451031 0.755445 0.922074 Br\n0.074577 0.266834 0.693668 Br\n",
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"elements": [
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{
"id": "mp-1199809",
"created_at": "2022-09-04T14:45:53.719597Z",
"structure_string": "Tl4 Co4 N24 Cl24\n1.0\n10.935436 0.000000 0.000000\n0.000000 10.935436 0.000000\n0.000000 0.000000 10.935436\nTl Co N Cl\n4 4 24 24\ndirect\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.431978 0.584504 0.639229 N\n0.568022 0.084504 0.860771 N\n0.068022 0.415496 0.139229 N\n0.931978 0.915496 0.360771 N\n0.639229 0.431978 0.584504 N\n0.860771 0.568022 0.084504 N\n0.139229 0.068022 0.415496 N\n0.360771 0.931978 0.915496 N\n0.584504 0.639229 0.431978 N\n0.084504 0.860771 0.568022 N\n0.415496 0.139229 0.068022 N\n0.915496 0.360771 0.931978 N\n0.568022 0.415496 0.360771 N\n0.431978 0.915496 0.139229 N\n0.931978 0.584504 0.860771 N\n0.068022 0.084504 0.639229 N\n0.360771 0.568022 0.415496 N\n0.139229 0.431978 0.915496 N\n0.860771 0.931978 0.584504 N\n0.639229 0.068022 0.084504 N\n0.415496 0.360771 0.568022 N\n0.915496 0.139229 0.431978 N\n0.584504 0.860771 0.931978 N\n0.084504 0.639229 0.068022 N\n0.577506 0.681766 0.286445 Cl\n0.422494 0.181766 0.213555 Cl\n0.922494 0.318234 0.786445 Cl\n0.077506 0.818234 0.713555 Cl\n0.286445 0.577506 0.681766 Cl\n0.213555 0.422494 0.181766 Cl\n0.786445 0.922494 0.318234 Cl\n0.713555 0.077506 0.818234 Cl\n0.681766 0.286445 0.577506 Cl\n0.181766 0.213555 0.422494 Cl\n0.318234 0.786445 0.922494 Cl\n0.818234 0.713555 0.077506 Cl\n0.422494 0.318234 0.713555 Cl\n0.577506 0.818234 0.786445 Cl\n0.077506 0.681766 0.213555 Cl\n0.922494 0.181766 0.286445 Cl\n0.713555 0.422494 0.318234 Cl\n0.786445 0.577506 0.818234 Cl\n0.213555 0.077506 0.681766 Cl\n0.286445 0.922494 0.181766 Cl\n0.318234 0.713555 0.422494 Cl\n0.818234 0.786445 0.577506 Cl\n0.681766 0.213555 0.077506 Cl\n0.181766 0.286445 0.922494 Cl\n",
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{
"id": "mp-572886",
"created_at": "2022-09-04T14:43:16.557561Z",
"structure_string": "Cs6 Mo10 P14 O48\n1.0\n6.270331 -10.860532 0.000000\n6.270331 10.860532 0.000000\n0.000000 0.000000 9.601483\nCs Mo P O\n6 10 14 48\ndirect\n0.605855 0.687346 0.525855 Cs\n0.312654 0.918509 0.525855 Cs\n0.394145 0.081491 0.025855 Cs\n0.687346 0.605855 0.025855 Cs\n0.918509 0.312654 0.025855 Cs\n0.081491 0.394145 0.525855 Cs\n0.193847 0.677552 0.121449 Mo\n0.677552 0.193847 0.621449 Mo\n0.000000 0.000000 0.973267 Mo\n0.516295 0.322448 0.621449 Mo\n0.000000 0.000000 0.473267 Mo\n0.483705 0.806153 0.121449 Mo\n0.666667 0.333333 0.349070 Mo\n0.806153 0.483705 0.621449 Mo\n0.333333 0.666667 0.849070 Mo\n0.322448 0.516295 0.121449 Mo\n0.149052 0.230593 0.226975 P\n0.652825 0.068284 0.296395 P\n0.415459 0.347175 0.296395 P\n0.584541 0.931716 0.796395 P\n0.333333 0.666667 0.299621 P\n0.666667 0.333333 0.799621 P\n0.347175 0.415459 0.796395 P\n0.769407 0.918459 0.226975 P\n0.931716 0.584541 0.296395 P\n0.230593 0.149052 0.726975 P\n0.850948 0.081541 0.726975 P\n0.918459 0.769407 0.726975 P\n0.081541 0.850948 0.226975 P\n0.068284 0.652825 0.796395 P\n0.342675 0.408035 0.956040 O\n0.044533 0.760259 0.736262 O\n0.527759 0.966257 0.238599 O\n0.073553 0.909038 0.092715 O\n0.190220 0.825683 0.222614 O\n0.835485 0.926447 0.092715 O\n0.090962 0.164515 0.092715 O\n0.490830 0.806685 0.733872 O\n0.825683 0.190220 0.722614 O\n0.458701 0.664852 0.000473 O\n0.561502 0.033743 0.738599 O\n0.164515 0.090962 0.592715 O\n0.174317 0.364536 0.222614 O\n0.193315 0.684145 0.733872 O\n0.438498 0.472241 0.238599 O\n0.806685 0.490830 0.233872 O\n0.793849 0.335148 0.500473 O\n0.509170 0.315855 0.233872 O\n0.169168 0.075987 0.857765 O\n0.909038 0.073553 0.592715 O\n0.684145 0.193315 0.233872 O\n0.591965 0.934640 0.956040 O\n0.364536 0.174317 0.722614 O\n0.955467 0.715726 0.236262 O\n0.966257 0.527759 0.738599 O\n0.335148 0.793849 0.000473 O\n0.760259 0.044533 0.236262 O\n0.033743 0.561502 0.238599 O\n0.664852 0.458701 0.500473 O\n0.926447 0.835485 0.592715 O\n0.934640 0.591965 0.456040 O\n0.830832 0.906819 0.357765 O\n0.239741 0.284274 0.736262 O\n0.657325 0.065360 0.456040 O\n0.924013 0.093181 0.857765 O\n0.906819 0.830832 0.857765 O\n0.809780 0.635464 0.722614 O\n0.635464 0.809780 0.222614 O\n0.315855 0.509170 0.733872 O\n0.472241 0.438498 0.738599 O\n0.075987 0.169168 0.357765 O\n0.093181 0.924013 0.357765 O\n0.065360 0.657325 0.956040 O\n0.206151 0.541299 0.000473 O\n0.541299 0.206151 0.500473 O\n0.284274 0.239741 0.236262 O\n0.408035 0.342675 0.456040 O\n0.715726 0.955467 0.736262 O\n",
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{
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"structure_string": "Yb18 Zn8 Bi18\n1.0\n0.000000 0.000000 -4.726547\n0.000000 -12.533328 0.000000\n-22.076597 0.000000 0.000000\nYb Zn Bi\n18 8 18\ndirect\n0.000000 0.631143 0.360611 Yb\n0.000000 0.368857 0.639389 Yb\n0.000000 0.868857 0.860611 Yb\n0.000000 0.131143 0.139389 Yb\n0.500000 0.500000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.873461 0.234772 Yb\n0.000000 0.126539 0.765228 Yb\n0.000000 0.626539 0.734772 Yb\n0.000000 0.373461 0.265228 Yb\n0.000000 0.926373 0.411391 Yb\n0.000000 0.073627 0.588609 Yb\n0.000000 0.573627 0.911391 Yb\n0.000000 0.426373 0.088609 Yb\n0.500000 0.705309 0.099946 Yb\n0.500000 0.294691 0.900054 Yb\n0.500000 0.794691 0.599946 Yb\n0.500000 0.205309 0.400054 Yb\n0.500000 0.610301 0.262444 Zn\n0.500000 0.389699 0.737556 Zn\n0.500000 0.889699 0.762444 Zn\n0.500000 0.110301 0.237556 Zn\n0.500000 0.770536 0.452323 Zn\n0.500000 0.229464 0.547677 Zn\n0.500000 0.729464 0.952323 Zn\n0.500000 0.270536 0.047677 Zn\n0.500000 0.952959 0.145050 Bi\n0.500000 0.047041 0.854950 Bi\n0.500000 0.547041 0.645050 Bi\n0.500000 0.452959 0.354950 Bi\n0.000000 0.809145 0.008402 Bi\n0.000000 0.190855 0.991598 Bi\n0.000000 0.690855 0.508402 Bi\n0.000000 0.309145 0.491598 Bi\n0.000000 0.614387 0.192776 Bi\n0.000000 0.385613 0.807224 Bi\n0.000000 0.885613 0.692776 Bi\n0.000000 0.114387 0.307224 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.500000 0.809274 0.329107 Bi\n0.500000 0.190726 0.670893 Bi\n0.500000 0.690726 0.829107 Bi\n0.500000 0.309274 0.170893 Bi\n",
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"updated_at": "2021-11-28T01:35:02.561000Z",
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},
{
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}