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{
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{
"id": "mp-866495",
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"structure_string": "Ca4 Sn4 S12\n1.0\n8.111912 0.000000 0.000000\n0.000000 7.874281 0.000000\n0.000000 3.677825 7.878180\nCa Sn S\n4 4 12\ndirect\n0.097364 0.880602 0.356760 Ca\n0.597364 0.119398 0.143240 Ca\n0.902636 0.119398 0.643240 Ca\n0.402636 0.880602 0.856760 Ca\n0.324363 0.388676 0.450348 Sn\n0.824363 0.611324 0.049652 Sn\n0.675637 0.611324 0.549652 Sn\n0.175637 0.388676 0.950348 Sn\n0.568244 0.269709 0.630877 S\n0.068244 0.730291 0.869123 S\n0.431756 0.730291 0.369123 S\n0.931756 0.269709 0.130877 S\n0.387206 0.462600 0.141921 S\n0.887206 0.537400 0.358079 S\n0.612794 0.537400 0.858079 S\n0.112794 0.462600 0.641921 S\n0.279379 0.064426 0.046110 S\n0.779379 0.935574 0.453890 S\n0.720621 0.935574 0.953890 S\n0.220621 0.064426 0.546110 S\n",
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{
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"structure_string": "Tb4 Lu4 O12\n1.0\n5.616018 0.000000 0.000000\n0.000000 5.884038 0.000000\n0.000000 0.000000 8.266365\nTb Lu O\n4 4 12\ndirect\n0.017096 0.945100 0.750000 Tb\n0.482904 0.445100 0.750000 Tb\n0.517096 0.554900 0.250000 Tb\n0.982904 0.054900 0.250000 Tb\n0.000000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.140339 0.431504 0.250000 O\n0.184868 0.187809 0.573628 O\n0.184868 0.187809 0.926372 O\n0.315132 0.687809 0.926372 O\n0.315132 0.687809 0.573628 O\n0.359661 0.931504 0.250000 O\n0.640339 0.068496 0.750000 O\n0.684868 0.312191 0.073628 O\n0.684868 0.312191 0.426372 O\n0.815132 0.812191 0.073628 O\n0.815132 0.812191 0.426372 O\n0.859661 0.568496 0.750000 O\n",
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{
"id": "mp-1046138",
"created_at": "2022-09-04T14:39:39.238223Z",
"structure_string": "Ti10 Te6 O36\n1.0\n4.461794 7.390566 0.000000\n-4.461794 7.390566 0.000000\n0.000000 1.029842 10.470075\nTi Te O\n10 6 36\ndirect\n0.504876 0.809368 0.001319 Ti\n0.192303 0.114020 0.491934 Ti\n0.353691 0.344688 0.288288 Ti\n0.715229 0.971359 0.792434 Ti\n0.655312 0.646309 0.711712 Ti\n0.019618 0.980382 0.000000 Ti\n0.386206 0.613794 0.500000 Ti\n0.028641 0.284771 0.207566 Ti\n0.885980 0.807697 0.508066 Ti\n0.190632 0.495124 0.998681 Ti\n0.865923 0.454489 0.936203 Te\n0.191905 0.809079 0.252799 Te\n0.190921 0.808095 0.747201 Te\n0.864252 0.479217 0.454179 Te\n0.520783 0.135748 0.545821 Te\n0.545511 0.134077 0.063797 Te\n0.109587 0.440328 0.869938 O\n0.427824 0.750621 0.796235 O\n0.619505 0.566902 0.538043 O\n0.115525 0.743624 0.426486 O\n0.249379 0.572176 0.203765 O\n0.256376 0.884475 0.573514 O\n0.816114 0.392095 0.308976 O\n0.112838 0.020700 0.833058 O\n0.291180 0.590209 0.664546 O\n0.417393 0.100025 0.398830 O\n0.635308 0.574331 0.032809 O\n0.982210 0.490774 0.100951 O\n0.956262 0.861496 0.687976 O\n0.752135 0.713247 0.847749 O\n0.425669 0.364692 0.967191 O\n0.568333 0.254282 0.221428 O\n0.750100 0.040480 0.455166 O\n0.286753 0.247865 0.152251 O\n0.433098 0.380495 0.461957 O\n0.959520 0.249900 0.544834 O\n0.818170 0.707645 0.381693 O\n0.641247 0.890937 0.626300 O\n0.979300 0.887162 0.166942 O\n0.745718 0.431667 0.778572 O\n0.811159 0.025807 0.923927 O\n0.138618 0.727250 0.919646 O\n0.509226 0.017790 0.899049 O\n0.607905 0.183886 0.691024 O\n0.138504 0.043738 0.312024 O\n0.109063 0.358753 0.373700 O\n0.292355 0.181830 0.618307 O\n0.272750 0.861382 0.080354 O\n0.409791 0.708820 0.335454 O\n0.899975 0.582607 0.601170 O\n0.974193 0.188841 0.076073 O\n0.559672 0.890413 0.130062 O\n",
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{
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"structure_string": "Li2 Al2 Si1 O6\n1.0\n-2.660920 -4.602647 0.000000\n-5.316469 -0.003101 0.000000\n0.000000 0.000000 -5.784893\nLi Al Si O\n2 2 1 6\ndirect\n0.000000 0.000000 0.616402 Li\n0.000000 0.000000 0.050265 Li\n0.500000 0.000000 0.671103 Al\n0.000000 0.500000 0.995564 Al\n0.500000 0.500000 0.333333 Si\n0.215243 0.590529 0.171474 O\n0.590529 0.215243 0.495193 O\n0.176438 0.176438 0.833333 O\n0.784757 0.409471 0.171474 O\n0.409471 0.784757 0.495193 O\n0.823562 0.823562 0.833333 O\n",
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{
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{
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{
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"structure_string": "La4 Ti4 Nb4 Bi8 O36\n1.0\n5.465442 0.000000 0.000000\n0.000000 5.466971 0.000000\n0.000000 0.000000 25.381800\nLa Ti Nb Bi O\n4 4 4 8 36\ndirect\n0.500000 0.500000 0.000000 La\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.000000 0.500000 0.500000 La\n0.003540 0.500000 0.087579 Ti\n0.496460 0.500000 0.587579 Ti\n0.996460 0.500000 0.912421 Ti\n0.503540 0.500000 0.412421 Ti\n0.998764 0.000000 0.588697 Nb\n0.498764 0.000000 0.911303 Nb\n0.001236 0.000000 0.411303 Nb\n0.501236 0.000000 0.088697 Nb\n0.501767 0.500000 0.199819 Bi\n0.486624 0.000000 0.699917 Bi\n0.513376 0.000000 0.300083 Bi\n0.013376 0.000000 0.199917 Bi\n0.998233 0.500000 0.699819 Bi\n0.498233 0.500000 0.800181 Bi\n0.001767 0.500000 0.300181 Bi\n0.986624 0.000000 0.800083 Bi\n0.749040 0.746535 0.074808 O\n0.757277 0.250334 0.249554 O\n0.000000 0.000000 0.500000 O\n0.257277 0.749666 0.250446 O\n0.250960 0.253465 0.925192 O\n0.746386 0.249238 0.426557 O\n0.750960 0.746535 0.574808 O\n0.257277 0.250334 0.250446 O\n0.253614 0.750762 0.573443 O\n0.004438 0.000000 0.663200 O\n0.495562 0.000000 0.163200 O\n0.253614 0.249238 0.573443 O\n0.500000 0.500000 0.500000 O\n0.753614 0.750762 0.926557 O\n0.249040 0.746535 0.425192 O\n0.757277 0.749666 0.249554 O\n0.017762 0.500000 0.159285 O\n0.249040 0.253465 0.425192 O\n0.750960 0.253465 0.574808 O\n0.482238 0.500000 0.659285 O\n0.242723 0.250334 0.750446 O\n0.742723 0.749666 0.749554 O\n0.246386 0.750762 0.073443 O\n0.995562 0.000000 0.336800 O\n0.504438 0.000000 0.836800 O\n0.000000 0.500000 0.000000 O\n0.517762 0.500000 0.340715 O\n0.246386 0.249238 0.073443 O\n0.982238 0.500000 0.840715 O\n0.250960 0.746535 0.925192 O\n0.500000 0.000000 0.000000 O\n0.753614 0.249238 0.926557 O\n0.746386 0.750762 0.426557 O\n0.749040 0.253465 0.074808 O\n0.742723 0.250334 0.749554 O\n0.242723 0.749666 0.750446 O\n",
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{
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"formula_full": "Be26 Sb2",
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"spacegroup": 226
},
{
"id": "mp-558792",
"created_at": "2022-09-04T14:39:46.087818Z",
"structure_string": "K8 Hg12 S12 O40\n1.0\n7.652865 0.000000 0.000000\n0.000000 8.031305 0.000000\n0.000000 0.000000 21.212821\nK Hg S O\n8 12 12 40\ndirect\n0.361599 0.364496 0.559768 K\n0.138401 0.864496 0.440232 K\n0.638401 0.635504 0.440232 K\n0.861599 0.135504 0.559768 K\n0.638401 0.635504 0.059768 K\n0.861599 0.135504 0.940232 K\n0.138401 0.864496 0.059768 K\n0.361599 0.364496 0.940232 K\n0.729587 0.729949 0.829542 Hg\n0.056701 0.411046 0.750000 Hg\n0.770413 0.229949 0.170458 Hg\n0.443299 0.911046 0.250000 Hg\n0.270413 0.270051 0.329542 Hg\n0.229587 0.770051 0.829542 Hg\n0.270413 0.270051 0.170458 Hg\n0.770413 0.229949 0.329542 Hg\n0.556701 0.088954 0.750000 Hg\n0.229587 0.770051 0.670458 Hg\n0.729587 0.729949 0.670458 Hg\n0.943299 0.588954 0.250000 Hg\n0.990243 0.882874 0.250000 S\n0.867688 0.589774 0.916805 S\n0.132312 0.410226 0.083195 S\n0.632312 0.089774 0.416805 S\n0.867688 0.589774 0.583195 S\n0.132312 0.410226 0.416805 S\n0.632312 0.089774 0.083195 S\n0.367688 0.910226 0.583195 S\n0.509757 0.382874 0.750000 S\n0.009757 0.117126 0.750000 S\n0.367688 0.910226 0.916805 S\n0.490243 0.617126 0.250000 S\n0.088248 0.926311 0.191848 O\n0.479335 0.998650 0.109288 O\n0.589887 0.827793 0.750000 O\n0.911752 0.073689 0.808152 O\n0.083327 0.280649 0.037224 O\n0.266669 0.526259 0.058656 O\n0.416673 0.780649 0.962776 O\n0.911752 0.073689 0.691848 O\n0.583327 0.219351 0.462776 O\n0.089887 0.672207 0.750000 O\n0.979335 0.501350 0.109288 O\n0.088248 0.926311 0.308152 O\n0.916673 0.719351 0.537224 O\n0.520665 0.001350 0.890712 O\n0.410113 0.172207 0.250000 O\n0.233331 0.026259 0.558656 O\n0.588248 0.573689 0.191848 O\n0.733331 0.473741 0.558656 O\n0.020665 0.498650 0.890712 O\n0.520665 0.001350 0.609288 O\n0.688060 0.457025 0.750000 O\n0.411752 0.426311 0.808152 O\n0.479335 0.998650 0.390712 O\n0.733331 0.473741 0.941344 O\n0.766669 0.973741 0.058656 O\n0.020665 0.498650 0.609288 O\n0.188060 0.042975 0.750000 O\n0.411752 0.426311 0.691848 O\n0.583327 0.219351 0.037224 O\n0.916673 0.719351 0.962776 O\n0.910113 0.327793 0.250000 O\n0.266669 0.526259 0.441344 O\n0.083327 0.280649 0.462776 O\n0.416673 0.780649 0.537224 O\n0.588248 0.573689 0.308152 O\n0.811940 0.957025 0.250000 O\n0.233331 0.026259 0.941344 O\n0.766669 0.973741 0.441344 O\n0.979335 0.501350 0.390712 O\n0.311940 0.542975 0.250000 O\n",
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"formula_full": "K8 Hg12 S12 O40",
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"updated_at": "2021-11-28T01:34:44.879000Z",
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}
]
}