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{
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{
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{
"id": "mp-1226390",
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"structure_string": "Dy12 Si16\n1.0\n0.000000 -0.013703 3.878099\n4.147577 0.000000 0.000000\n2.073789 36.349319 -0.127996\nDy Si\n12 16\ndirect\n0.252695 0.900084 0.199832 Dy\n0.251684 0.233593 0.532812 Dy\n0.249315 0.567729 0.864543 Dy\n0.751178 0.431922 0.136155 Dy\n0.749890 0.765910 0.468181 Dy\n0.749885 0.099805 0.800390 Dy\n0.250960 0.476741 0.046517 Dy\n0.245374 0.809524 0.380952 Dy\n0.245663 0.142872 0.714257 Dy\n0.766610 0.856720 0.286559 Dy\n0.765700 0.189980 0.620039 Dy\n0.749418 0.523145 0.953711 Dy\n0.260064 0.370669 0.258661 Si\n0.259669 0.704059 0.591882 Si\n0.251411 0.039921 0.920159 Si\n0.748665 0.959891 0.080218 Si\n0.746708 0.296473 0.407056 Si\n0.746693 0.630107 0.739785 Si\n0.250279 0.940105 0.119789 Si\n0.249639 0.275503 0.448995 Si\n0.249940 0.609295 0.781410 Si\n0.753481 0.390892 0.218216 Si\n0.752277 0.724588 0.550822 Si\n0.749816 0.059797 0.880406 Si\n0.303901 0.338471 0.323057 Si\n0.306740 0.671758 0.656485 Si\n0.249035 0.008268 0.983464 Si\n0.751311 0.991577 0.016845 Si\n",
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"formula_full": "Dy12 Si16",
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"spacegroup": 8
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{
"id": "mp-1017483",
"created_at": "2022-09-04T14:39:33.896153Z",
"structure_string": "La2 Mg12 Mo2\n1.0\n5.165588 0.000000 0.000000\n0.000000 6.016077 0.000000\n0.000000 0.000000 11.825692\nLa Mg Mo\n2 12 2\ndirect\n0.500000 0.000000 0.174327 La\n0.500000 0.500000 0.674327 La\n0.500000 0.249931 0.422177 Mg\n0.500000 0.750069 0.422177 Mg\n0.000000 0.733526 0.083045 Mg\n0.000000 0.266474 0.083045 Mg\n0.000000 0.000000 0.340990 Mg\n0.000000 0.500000 0.309144 Mg\n0.500000 0.749931 0.922177 Mg\n0.500000 0.250069 0.922177 Mg\n0.000000 0.233526 0.583045 Mg\n0.000000 0.766474 0.583045 Mg\n0.000000 0.500000 0.840990 Mg\n0.000000 0.000000 0.809144 Mg\n0.500000 0.500000 0.165091 Mo\n0.500000 0.000000 0.665091 Mo\n",
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"volume": 367.5020062366232,
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"formula_full": "La2 Mg12 Mo2",
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{
"id": "mp-1202745",
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"structure_string": "Si58\n1.0\n5.009220 -8.676223 0.000000\n5.009220 8.676223 0.000000\n0.000000 0.000000 16.116778\nSi\n58\ndirect\n0.620631 0.619603 0.204693 Si\n0.998972 0.379369 0.204693 Si\n0.380397 0.001028 0.204693 Si\n0.620631 0.001028 0.204693 Si\n0.380397 0.379369 0.204693 Si\n0.998972 0.619603 0.204693 Si\n0.379369 0.380397 0.795307 Si\n0.001028 0.620631 0.795307 Si\n0.619603 0.998972 0.795307 Si\n0.379369 0.998972 0.795307 Si\n0.619603 0.620631 0.795307 Si\n0.001028 0.380397 0.795307 Si\n0.755226 0.999351 0.326283 Si\n0.244125 0.244774 0.326283 Si\n0.000649 0.755875 0.326283 Si\n0.755226 0.755875 0.326283 Si\n0.000649 0.244774 0.326283 Si\n0.244125 0.999351 0.326283 Si\n0.244774 0.000649 0.673717 Si\n0.755875 0.755226 0.673717 Si\n0.999351 0.244125 0.673717 Si\n0.244774 0.244125 0.673717 Si\n0.999351 0.755226 0.673717 Si\n0.755875 0.000649 0.673717 Si\n0.578817 0.666466 0.441890 Si\n0.087649 0.421183 0.441890 Si\n0.333534 0.912351 0.441890 Si\n0.578817 0.912351 0.441890 Si\n0.333534 0.421183 0.441890 Si\n0.087649 0.666466 0.441890 Si\n0.421183 0.333534 0.558110 Si\n0.912351 0.578817 0.558110 Si\n0.666466 0.087649 0.558110 Si\n0.421183 0.087649 0.558110 Si\n0.666466 0.578817 0.558110 Si\n0.912351 0.333534 0.558110 Si\n0.733174 0.866587 0.000517 Si\n0.133413 0.266826 0.000517 Si\n0.133413 0.866587 0.000517 Si\n0.266826 0.133413 0.999483 Si\n0.866587 0.733174 0.999483 Si\n0.866587 0.133413 0.999483 Si\n0.582622 0.791311 0.878377 Si\n0.208689 0.417378 0.878377 Si\n0.208689 0.791311 0.878377 Si\n0.417378 0.208689 0.121623 Si\n0.791311 0.582622 0.121623 Si\n0.791311 0.208689 0.121623 Si\n0.582981 0.791491 0.123005 Si\n0.208509 0.417019 0.123005 Si\n0.208509 0.791491 0.123005 Si\n0.417019 0.208509 0.876995 Si\n0.791491 0.582981 0.876995 Si\n0.791491 0.208509 0.876995 Si\n0.333333 0.666667 0.072895 Si\n0.666667 0.333333 0.927105 Si\n0.333333 0.666667 0.928619 Si\n0.666667 0.333333 0.071381 Si\n",
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"spacegroup": 164
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{
"id": "mp-556733",
"created_at": "2022-09-04T14:39:32.776342Z",
"structure_string": "Ba2 Ca3 Tl2 Cu4 O12\n1.0\n-1.940611 1.940611 21.625187\n1.940611 -1.940611 21.625187\n1.940611 1.940611 -21.625187\nBa Ca Tl Cu O\n2 3 2 4 12\ndirect\n0.156988 0.156988 0.000000 Ba\n0.843012 0.843012 0.000000 Ba\n0.075032 0.075032 0.000000 Ca\n0.924968 0.924968 0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.723493 0.723493 0.000000 Tl\n0.276507 0.276507 0.000000 Tl\n0.537541 0.537541 0.000000 Cu\n0.389915 0.389915 0.000000 Cu\n0.610085 0.610085 0.000000 Cu\n0.462459 0.462459 0.000000 Cu\n0.889031 0.389031 0.500000 O\n0.037169 0.537169 0.500000 O\n0.228285 0.228285 0.000000 O\n0.462831 0.962831 0.500000 O\n0.771715 0.771715 0.000000 O\n0.610969 0.110969 0.500000 O\n0.110969 0.610969 0.500000 O\n0.323497 0.323497 0.000000 O\n0.389031 0.889031 0.500000 O\n0.537169 0.037169 0.500000 O\n0.962831 0.462831 0.500000 O\n0.676503 0.676503 0.000000 O\n",
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"elements": [
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{
"id": "mp-1219529",
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"structure_string": "Sb6 Cl18 O2 F8\n1.0\n7.218145 0.000000 0.000000\n-2.701105 9.795919 0.000000\n-0.736867 -0.459313 13.734536\nSb Cl O F\n6 18 2 8\ndirect\n0.199250 0.942776 0.713563 Sb\n0.800750 0.057224 0.286437 Sb\n0.188049 0.266966 0.893657 Sb\n0.811951 0.733034 0.106343 Sb\n0.400252 0.358700 0.692175 Sb\n0.599748 0.641300 0.307825 Sb\n0.496557 0.591368 0.730385 Cl\n0.503443 0.408632 0.269615 Cl\n0.295575 0.852831 0.574100 Cl\n0.704425 0.147169 0.425900 Cl\n0.066030 0.744503 0.794917 Cl\n0.933970 0.255497 0.205083 Cl\n0.322198 0.177622 0.025650 Cl\n0.677802 0.822378 0.974350 Cl\n0.259417 0.363825 0.537046 Cl\n0.740583 0.636175 0.462954 Cl\n0.703956 0.341697 0.655982 Cl\n0.296044 0.658303 0.344018 Cl\n0.861657 0.190172 0.915945 Cl\n0.138343 0.809828 0.084055 Cl\n0.907902 0.967615 0.645576 Cl\n0.092098 0.032385 0.354424 Cl\n0.242136 0.485863 0.961630 Cl\n0.757864 0.514137 0.038370 Cl\n0.155153 0.315471 0.757030 O\n0.844847 0.684529 0.242970 O\n0.326709 0.138422 0.666321 F\n0.673291 0.861578 0.333679 F\n0.158143 0.062132 0.831073 F\n0.841857 0.937868 0.168927 F\n0.445823 0.965834 0.779729 F\n0.554177 0.034166 0.220271 F\n0.471394 0.306796 0.837994 F\n0.528606 0.693204 0.162006 F\n",
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{
"id": "mp-1217731",
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"structure_string": "Tb4 Cr2 Sb2 O14\n1.0\n-3.634176 3.680649 5.141284\n3.634176 -3.680649 5.141284\n3.634176 3.680649 -5.141284\nTb Cr Sb O\n4 2 2 14\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.122331 0.872331 0.250000 O\n0.877669 0.127669 0.750000 O\n0.409900 0.159900 0.250000 O\n0.831805 0.581805 0.250000 O\n0.411899 0.578651 0.242507 O\n0.836145 0.169392 0.257493 O\n0.411899 0.169392 0.833247 O\n0.836145 0.578651 0.666753 O\n0.590100 0.840100 0.750000 O\n0.168195 0.418195 0.750000 O\n0.588101 0.421349 0.757493 O\n0.163855 0.830608 0.742507 O\n0.588101 0.830608 0.166753 O\n0.163855 0.421349 0.333247 O\n",
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{
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}