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{
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{
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{
"id": "mp-1223895",
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{
"id": "mp-22037",
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"structure_string": "Cu6 Pb1 O8\n1.0\n0.000000 4.314345 4.314345\n4.314345 0.000000 4.314345\n4.314345 4.314345 0.000000\nCu Pb O\n6 1 8\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 O\n0.251518 0.251518 0.748482 O\n0.251518 0.748482 0.748482 O\n0.748482 0.251518 0.251518 O\n0.251518 0.748482 0.251518 O\n0.748482 0.251518 0.748482 O\n0.250000 0.250000 0.250000 O\n0.748482 0.748482 0.251518 O\n",
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{
"id": "mp-759851",
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"structure_string": "Li4 V8 F28\n1.0\n7.148141 0.000000 0.000000\n0.000000 7.820714 0.000000\n0.000000 0.152739 10.182789\nLi V F\n4 8 28\ndirect\n0.592184 0.304336 0.648855 Li\n0.106767 0.828710 0.644539 Li\n0.407816 0.304336 0.148855 Li\n0.893233 0.828710 0.144539 Li\n0.116169 0.118257 0.917234 V\n0.617142 0.602355 0.907931 V\n0.108465 0.396511 0.591836 V\n0.609483 0.881572 0.579355 V\n0.883831 0.118257 0.417234 V\n0.382858 0.602355 0.407931 V\n0.891535 0.396511 0.091836 V\n0.390517 0.881572 0.079355 V\n0.865081 0.193742 0.974814 F\n0.380820 0.062334 0.934670 F\n0.365914 0.694797 0.947399 F\n0.882111 0.548014 0.929914 F\n0.561488 0.409456 0.810870 F\n0.060951 0.944398 0.800498 F\n0.140334 0.275192 0.759405 F\n0.640272 0.735913 0.735943 F\n0.545285 0.069992 0.682306 F\n0.052259 0.599112 0.679078 F\n0.388740 0.446070 0.572620 F\n0.836035 0.313192 0.556003 F\n0.887360 0.936875 0.565056 F\n0.337319 0.808674 0.536825 F\n0.134919 0.193742 0.474814 F\n0.619180 0.062334 0.434670 F\n0.634086 0.694797 0.447399 F\n0.117889 0.548014 0.429914 F\n0.438512 0.409456 0.310870 F\n0.939049 0.944398 0.300498 F\n0.859666 0.275192 0.259405 F\n0.359728 0.735913 0.235943 F\n0.454715 0.069992 0.182306 F\n0.947741 0.599112 0.179078 F\n0.611260 0.446070 0.072620 F\n0.163965 0.313192 0.056003 F\n0.112640 0.936875 0.065056 F\n0.662681 0.808674 0.036825 F\n",
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"volume": 569.2542209240904,
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"formula_full": "Li4 V8 F28",
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"energy": -260.11258778,
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"updated_at": "2021-11-28T01:37:52.703000Z",
"spacegroup": 7
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{
"id": "mp-557516",
"created_at": "2022-09-04T14:47:09.494347Z",
"structure_string": "K4 Be4 Zn4 Si6 O22\n1.0\n-3.413501 4.876292 7.590197\n3.413501 -4.876292 7.590197\n3.413501 4.876292 -7.590197\nK Be Zn Si O\n4 4 4 6 22\ndirect\n0.388426 0.138426 0.250000 K\n0.198667 0.448667 0.750000 K\n0.611574 0.861574 0.750000 K\n0.801333 0.551333 0.250000 K\n0.000000 0.174981 0.174981 Be\n0.500000 0.825019 0.325019 Be\n0.000000 0.825019 0.825019 Be\n0.500000 0.174981 0.674981 Be\n0.849233 0.500000 0.849233 Zn\n0.150767 0.000000 0.650767 Zn\n0.849233 0.000000 0.349233 Zn\n0.150767 0.500000 0.150767 Zn\n0.776666 0.366968 0.409698 Si\n0.457269 0.366968 0.090302 Si\n0.223334 0.633032 0.590302 Si\n0.847319 0.097319 0.750000 Si\n0.152681 0.902681 0.250000 Si\n0.542731 0.633032 0.909698 Si\n0.075620 0.964215 0.111405 O\n0.352810 0.964215 0.388595 O\n0.856423 0.221906 0.235194 O\n0.422405 0.672405 0.750000 O\n0.269071 0.276625 0.992446 O\n0.577595 0.327595 0.250000 O\n0.089457 0.642405 0.052948 O\n0.784179 0.276625 0.507554 O\n0.215821 0.723375 0.492446 O\n0.513288 0.778094 0.134517 O\n0.513288 0.378771 0.735194 O\n0.924380 0.035785 0.888595 O\n0.856423 0.621229 0.634517 O\n0.486712 0.621229 0.264806 O\n0.143577 0.778094 0.764806 O\n0.486712 0.221906 0.865483 O\n0.910543 0.963491 0.552948 O\n0.730929 0.723375 0.007554 O\n0.910543 0.357595 0.947052 O\n0.089457 0.036509 0.447052 O\n0.647190 0.035785 0.611405 O\n0.143577 0.378771 0.365483 O\n",
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"formula_full": "K4 Be4 Zn4 Si6 O22",
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{
"id": "mp-1080590",
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"structure_string": "Dy2 Au6\n1.0\n5.067615 0.000000 0.000000\n0.000000 5.172740 0.000000\n0.000000 0.000000 6.179115\nDy Au\n2 6\ndirect\n0.500000 0.655023 0.500000 Dy\n0.000000 0.344977 0.000000 Dy\n0.500000 0.157983 0.755093 Au\n0.500000 0.157983 0.244907 Au\n0.000000 0.842017 0.744907 Au\n0.000000 0.842017 0.255093 Au\n0.000000 0.338764 0.500000 Au\n0.500000 0.661236 0.000000 Au\n",
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{
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"structure_string": "Sm2 Fe2 Se2 O3\n1.0\n-2.027391 2.027391 9.394274\n2.027391 -2.027391 9.394274\n2.027392 2.027391 -9.394274\nSm Fe Se O\n2 2 2 3\ndirect\n0.310312 0.310312 0.000000 Sm\n0.689688 0.689688 0.000000 Sm\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.899419 0.899419 0.000000 Se\n0.100581 0.100581 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Sm2 Fe2 Se2 O3",
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{
"id": "mp-1182231",
"created_at": "2022-09-04T14:47:09.485093Z",
"structure_string": "Bi2 Te2 S1\n1.0\n15.962048 -5.026019 16.395573\n-0.061664 1.082601 4.310916\n-8.985237 0.588594 -7.727097\nBi Te S\n2 2 1\ndirect\n0.864114 0.439891 0.003546 Bi\n0.135886 0.560109 0.996455 Bi\n0.677216 0.965480 0.002296 Te\n0.322784 0.034521 0.997704 Te\n0.000000 0.999999 0.000000 S\n",
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"volume": 181.93722066853599,
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{
"id": "mp-1194704",
"created_at": "2022-09-04T14:47:09.482649Z",
"structure_string": "Ga8 Sb16 Te16 Cl32\n1.0\n9.806708 0.000000 0.000000\n0.191979 13.485524 0.000000\n0.675828 4.416470 17.881771\nGa Sb Te Cl\n8 16 16 32\ndirect\n0.521219 0.999651 0.337532 Ga\n0.478781 0.000349 0.662468 Ga\n0.996699 0.747318 0.812956 Ga\n0.003301 0.252682 0.187044 Ga\n0.983186 0.244351 0.857572 Ga\n0.016814 0.755649 0.142428 Ga\n0.467081 0.476969 0.670221 Ga\n0.532919 0.523031 0.329779 Ga\n0.383266 0.995779 0.908975 Sb\n0.616734 0.004221 0.091025 Sb\n0.703153 0.752587 0.999165 Sb\n0.296847 0.247413 0.000835 Sb\n0.316669 0.769196 0.946227 Sb\n0.683331 0.230804 0.053773 Sb\n0.427391 0.489129 0.104879 Sb\n0.572609 0.510871 0.895121 Sb\n0.814461 0.042827 0.465836 Sb\n0.185539 0.957173 0.534164 Sb\n0.961246 0.780558 0.381320 Sb\n0.038754 0.219442 0.618680 Sb\n0.116393 0.730232 0.582278 Sb\n0.883607 0.269768 0.417722 Sb\n0.194298 0.486683 0.467640 Sb\n0.805702 0.513317 0.532360 Sb\n0.666062 0.984244 0.941025 Te\n0.333938 0.015756 0.058975 Te\n0.451148 0.735495 0.085696 Te\n0.548852 0.264505 0.914304 Te\n0.566211 0.748967 0.865867 Te\n0.433789 0.251033 0.134133 Te\n0.306609 0.505190 0.962733 Te\n0.693391 0.494810 0.037267 Te\n0.059399 0.994766 0.391937 Te\n0.940601 0.005234 0.608063 Te\n0.843805 0.756463 0.529450 Te\n0.156195 0.243537 0.470550 Te\n0.223206 0.720616 0.438120 Te\n0.776794 0.279384 0.561880 Te\n0.945111 0.532187 0.389401 Te\n0.054889 0.467813 0.610599 Te\n0.731762 0.979158 0.294642 Cl\n0.268238 0.020842 0.705358 Cl\n0.494652 0.893722 0.448317 Cl\n0.505348 0.106278 0.551683 Cl\n0.493184 0.156124 0.349191 Cl\n0.506816 0.843876 0.650809 Cl\n0.375939 0.966157 0.259311 Cl\n0.624061 0.033843 0.740689 Cl\n0.867084 0.711520 0.727763 Cl\n0.132916 0.288480 0.272237 Cl\n0.959770 0.633807 0.919916 Cl\n0.040230 0.366193 0.080084 Cl\n0.212533 0.745236 0.777094 Cl\n0.787467 0.254764 0.222906 Cl\n0.944694 0.896930 0.832884 Cl\n0.055306 0.103070 0.167116 Cl\n0.854263 0.203525 0.774125 Cl\n0.145737 0.796475 0.225875 Cl\n0.958383 0.132092 0.966699 Cl\n0.041617 0.867908 0.033301 Cl\n0.199403 0.239729 0.822572 Cl\n0.800597 0.760271 0.177428 Cl\n0.920957 0.393080 0.875595 Cl\n0.079043 0.606920 0.124405 Cl\n0.339432 0.498883 0.765177 Cl\n0.660568 0.501117 0.234823 Cl\n0.402054 0.344750 0.630526 Cl\n0.597946 0.655250 0.369474 Cl\n0.455498 0.612109 0.575269 Cl\n0.544502 0.387891 0.424731 Cl\n0.682050 0.458387 0.703649 Cl\n0.317950 0.541613 0.296351 Cl\n",
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"elements": [
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{
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"formula_full": "Li32 Ti3 Cr13 O48",
"formula_reduced": "Li32Ti3Cr13O48",
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{
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]
}