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{
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{
"id": "mp-1216775",
"created_at": "2022-09-04T14:46:55.736162Z",
"structure_string": "V10 Si3 Ge3\n1.0\n0.000000 6.697309 6.727130\n2.405136 0.000000 6.727130\n2.405136 6.697309 0.000000\nV Si Ge\n10 3 3\ndirect\n0.769832 0.423948 0.576052 V\n0.228764 0.578819 0.421181 V\n0.729756 0.925261 0.074739 V\n0.268325 0.072347 0.927653 V\n0.925261 0.729756 0.270244 V\n0.072347 0.268325 0.731675 V\n0.423948 0.769832 0.230168 V\n0.578819 0.228764 0.771236 V\n0.754093 0.249864 0.245907 V\n0.249864 0.754093 0.750136 V\n0.665666 0.665666 0.334334 Si\n0.165391 0.833950 0.166050 Si\n0.833950 0.165391 0.834609 Si\n0.249971 0.249971 0.250029 Ge\n0.749971 0.749971 0.750029 Ge\n0.334042 0.334042 0.665958 Ge\n",
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{
"id": "mp-1046701",
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"structure_string": "V2 Zn2 P2 O10\n1.0\n4.102554 3.618901 0.000000\n-4.102554 3.618901 0.000000\n0.000000 3.281829 6.418359\nV Zn P O\n2 2 2 10\ndirect\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.180625 0.819375 0.250000 Zn\n0.819375 0.180625 0.750000 Zn\n0.849569 0.150431 0.250000 P\n0.150431 0.849569 0.750000 P\n0.699596 0.208410 0.096915 O\n0.791590 0.300404 0.403085 O\n0.300404 0.791590 0.903085 O\n0.208410 0.699596 0.596915 O\n0.202569 0.157380 0.632142 O\n0.842620 0.797431 0.867858 O\n0.797431 0.842620 0.367858 O\n0.157380 0.202569 0.132142 O\n0.589545 0.410455 0.750000 O\n0.410455 0.589545 0.250000 O\n",
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{
"id": "mp-638141",
"created_at": "2022-09-04T14:46:55.763674Z",
"structure_string": "Li4 Sn20 Rh12\n1.0\n5.468859 0.000000 0.000000\n0.000000 9.911334 0.000000\n0.000000 0.000000 12.963889\nLi Sn Rh\n4 20 12\ndirect\n0.597833 0.108713 0.250000 Li\n0.597833 0.391287 0.750000 Li\n0.402167 0.608713 0.250000 Li\n0.402167 0.891287 0.750000 Li\n0.866423 0.126944 0.062959 Sn\n0.625859 0.826317 0.112840 Sn\n0.133577 0.873056 0.562959 Sn\n0.625859 0.673683 0.612840 Sn\n0.866423 0.126944 0.437041 Sn\n0.133577 0.626944 0.062959 Sn\n0.374141 0.326317 0.112840 Sn\n0.625859 0.826317 0.387160 Sn\n0.133577 0.873056 0.937041 Sn\n0.374141 0.173683 0.887160 Sn\n0.625859 0.673683 0.887160 Sn\n0.374141 0.326317 0.387160 Sn\n0.374141 0.173683 0.612840 Sn\n0.866423 0.373056 0.937041 Sn\n0.842800 0.424107 0.250000 Sn\n0.157200 0.575893 0.750000 Sn\n0.133577 0.626944 0.437041 Sn\n0.842800 0.075893 0.750000 Sn\n0.157200 0.924107 0.250000 Sn\n0.866423 0.373056 0.562959 Sn\n0.646774 0.552282 0.421644 Rh\n0.353226 0.447718 0.921644 Rh\n0.646774 0.552282 0.078356 Rh\n0.646774 0.947718 0.921644 Rh\n0.094646 0.305404 0.750000 Rh\n0.353226 0.052282 0.078356 Rh\n0.353226 0.052282 0.421644 Rh\n0.646774 0.947718 0.578356 Rh\n0.905354 0.805404 0.750000 Rh\n0.905354 0.694596 0.250000 Rh\n0.353226 0.447718 0.578356 Rh\n0.094646 0.194596 0.250000 Rh\n",
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"density": 8.594249479526818,
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"formula_full": "Li4 Sn20 Rh12",
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"spacegroup": 57
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{
"id": "mp-1354592",
"created_at": "2022-09-04T14:46:55.788857Z",
"structure_string": "K4 Zr6 Fe1 Br18\n1.0\n10.662176 0.000000 0.000000\n-2.567348 10.490267 0.000000\n-1.900361 -5.828250 9.022071\nK Zr Fe Br\n4 6 1 18\ndirect\n0.653603 0.310770 0.227879 K\n0.346397 0.689230 0.772120 K\n0.686935 0.660576 0.563344 K\n0.313065 0.339424 0.436656 K\n0.152443 0.822912 0.234387 Zr\n0.847557 0.177088 0.765613 Zr\n0.858516 0.993407 0.135010 Zr\n0.141484 0.006593 0.864990 Zr\n0.147642 0.196977 0.045990 Zr\n0.852358 0.803023 0.954010 Zr\n0.000000 0.000000 0.000000 Fe\n0.007076 0.211783 0.196721 Br\n0.992924 0.788217 0.803279 Br\n0.327616 0.022413 0.310605 Br\n0.672384 0.977587 0.689395 Br\n0.322080 0.423800 0.100397 Br\n0.677920 0.576200 0.899603 Br\n0.003909 0.587562 0.208724 Br\n0.996091 0.412438 0.791276 Br\n0.700916 0.987378 0.288916 Br\n0.299084 0.012622 0.711084 Br\n0.316433 0.223950 0.903365 Br\n0.683567 0.776050 0.096635 Br\n0.013597 0.796942 0.407372 Br\n0.986403 0.203058 0.592628 Br\n0.320120 0.813113 0.109843 Br\n0.679880 0.186887 0.890157 Br\n0.332876 0.617539 0.503557 Br\n0.667124 0.382461 0.496443 Br\n",
"nsites": 29,
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"elements": [
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"volume": 1009.1102782600158,
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"formula_full": "K4 Zr6 Fe1 Br18",
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"formula_anonymous": "AB4C6D18",
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{
"id": "mp-1074542",
"created_at": "2022-09-04T14:46:55.790242Z",
"structure_string": "Mg16 Si12\n1.0\n7.235208 0.848840 3.734510\n-2.137020 10.226892 -4.350457\n-0.160188 -0.520654 7.058731\nMg Si\n16 12\ndirect\n0.025396 0.109163 0.739258 Mg\n0.327948 0.071768 0.902239 Mg\n0.216531 0.647564 0.770318 Mg\n0.495771 0.783877 0.105746 Mg\n0.962238 0.193248 0.327368 Mg\n0.631150 0.074864 0.062674 Mg\n0.008807 0.613324 0.217161 Mg\n0.713646 0.488421 0.930326 Mg\n0.087170 0.371771 0.726995 Mg\n0.562251 0.281190 0.570234 Mg\n0.191238 0.827057 0.582100 Mg\n0.719495 0.612884 0.638826 Mg\n0.479274 0.410713 0.337932 Mg\n0.228911 0.332296 0.038179 Mg\n0.694597 0.978689 0.474694 Mg\n0.128667 0.907945 0.228298 Mg\n0.843911 0.341566 0.143421 Si\n0.384015 0.515139 0.867379 Si\n0.934633 0.947516 0.996893 Si\n0.492609 0.846632 0.765275 Si\n0.286044 0.167371 0.353703 Si\n0.708544 0.231571 0.812118 Si\n0.609775 0.690901 0.381014 Si\n0.849656 0.745155 0.071081 Si\n0.315274 0.584088 0.294430 Si\n0.012590 0.472245 0.476802 Si\n0.390113 0.027120 0.455636 Si\n0.842909 0.861792 0.646721 Si\n",
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{
"id": "mp-1111743",
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"structure_string": "Na2 Al1 Hg1 Br6\n1.0\n0.000000 5.476206 5.476206\n5.476206 0.000000 5.476206\n5.476206 5.476206 0.000000\nNa Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.768505 0.231495 0.231495 Br\n0.231495 0.231495 0.768505 Br\n0.231495 0.768505 0.768505 Br\n0.231495 0.768505 0.231495 Br\n0.768505 0.231495 0.768505 Br\n0.768505 0.768505 0.231495 Br\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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