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{
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{
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{
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"structure_string": "Y2 Cu6 S6\n1.0\n-0.000029 6.672752 -0.000267\n5.778615 3.336351 -0.000432\n3.852740 0.000235 -6.364466\nY Cu S\n2 6 6\ndirect\n0.000177 0.999642 0.000523 Y\n0.333156 0.333691 0.999477 Y\n0.451991 0.419856 0.370475 Cu\n0.790209 0.757805 0.370387 Cu\n0.128121 0.081708 0.370383 Cu\n0.205213 0.251626 0.629617 Cu\n0.543124 0.575528 0.629613 Cu\n0.881342 0.913477 0.629525 Cu\n0.249142 0.835648 0.747842 S\n0.915149 0.501265 0.747840 S\n0.583571 0.167244 0.747887 S\n0.749763 0.166090 0.252113 S\n0.418184 0.832068 0.252160 S\n0.084191 0.497685 0.252158 S\n",
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{
"id": "mp-1192413",
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"structure_string": "Cs2 In2 Te6 O16\n1.0\n-5.924546 0.000000 0.000000\n2.755874 7.459087 0.000000\n-0.122559 -2.229570 -11.275308\nCs In Te O\n2 2 6 16\ndirect\n0.819008 0.110137 0.161429 Cs\n0.180992 0.889863 0.838571 Cs\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.218264 0.988189 0.420800 Te\n0.781736 0.011811 0.579200 Te\n0.076361 0.674846 0.152603 Te\n0.923639 0.325154 0.847397 Te\n0.513739 0.523887 0.334654 Te\n0.486261 0.476113 0.665346 Te\n0.184400 0.743366 0.422831 O\n0.815600 0.256634 0.577169 O\n0.232171 0.925593 0.234064 O\n0.767829 0.074407 0.765936 O\n0.885242 0.963748 0.397810 O\n0.114758 0.036252 0.602190 O\n0.294365 0.686725 0.030206 O\n0.705635 0.313275 0.969794 O\n0.836204 0.722217 0.071062 O\n0.163796 0.277783 0.928938 O\n0.406453 0.423321 0.173228 O\n0.593547 0.576679 0.826772 O\n0.239810 0.372045 0.402228 O\n0.760190 0.627955 0.597772 O\n0.725539 0.395971 0.351348 O\n0.274461 0.604029 0.648652 O\n",
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{
"id": "mp-1019277",
"created_at": "2022-09-04T14:40:31.409559Z",
"structure_string": "Sr2 Hg2 Pb2\n1.0\n2.562797 -4.438894 0.000000\n2.562797 4.438894 0.000000\n0.000000 0.000000 8.299719\nSr Hg Pb\n2 2 2\ndirect\n0.000000 0.000000 0.665362 Sr\n0.000000 0.000000 0.165362 Sr\n0.666667 0.333333 0.474356 Hg\n0.333333 0.666667 0.974356 Hg\n0.666667 0.333333 0.880282 Pb\n0.333333 0.666667 0.380282 Pb\n",
"nsites": 6,
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"density": 8.712875253115888,
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"volume": 188.8349448570635,
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"updated_at": "2021-11-28T01:35:03.366000Z",
"spacegroup": 186
},
{
"id": "mp-1217402",
"created_at": "2022-09-04T14:40:32.317325Z",
"structure_string": "Tb1 Zn1 Si1\n1.0\n2.063306 -3.573750 0.000000\n2.063306 3.573750 0.000000\n0.000000 0.000000 4.067364\nTb Zn Si\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Tb\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.500000 Si\n",
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"formula_full": "Tb1 Zn1 Si1",
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{
"id": "mp-1197319",
"created_at": "2022-09-04T14:40:31.474410Z",
"structure_string": "Al8 Bi28 Ru4 Br8 Cl32\n1.0\n18.455601 0.000000 0.000000\n0.000000 10.055950 0.000000\n0.000000 5.192154 14.243039\nAl Bi Ru Br Cl\n8 28 4 8 32\ndirect\n0.320875 0.358397 0.943318 Al\n0.179125 0.358397 0.443318 Al\n0.679125 0.641603 0.056682 Al\n0.820875 0.641603 0.556682 Al\n0.368973 0.677867 0.154704 Al\n0.131027 0.677867 0.654704 Al\n0.631027 0.322133 0.845296 Al\n0.868973 0.322133 0.345296 Al\n0.904401 0.144305 0.029513 Bi\n0.595599 0.144305 0.529513 Bi\n0.095599 0.855695 0.970487 Bi\n0.404401 0.855695 0.470487 Bi\n0.928960 0.788400 0.076723 Bi\n0.571040 0.788400 0.576723 Bi\n0.071040 0.211600 0.923277 Bi\n0.428960 0.211600 0.423277 Bi\n0.181883 0.014105 0.142177 Bi\n0.318117 0.014105 0.642177 Bi\n0.818117 0.985895 0.857823 Bi\n0.681883 0.985895 0.357823 Bi\n0.094750 0.736875 0.237291 Bi\n0.405250 0.736875 0.737291 Bi\n0.905250 0.263125 0.762709 Bi\n0.594750 0.263125 0.262709 Bi\n0.970132 0.912008 0.276242 Bi\n0.529868 0.912008 0.776242 Bi\n0.029868 0.087992 0.723758 Bi\n0.470132 0.087992 0.223758 Bi\n0.057572 0.187526 0.187677 Bi\n0.442428 0.187526 0.687677 Bi\n0.942428 0.812474 0.812323 Bi\n0.557572 0.812474 0.312323 Bi\n0.128476 0.943001 0.354918 Bi\n0.371524 0.943001 0.854918 Bi\n0.871524 0.056999 0.645082 Bi\n0.628476 0.056999 0.145082 Bi\n0.033551 0.989153 0.089223 Ru\n0.466449 0.989153 0.589223 Ru\n0.966449 0.010847 0.910777 Ru\n0.533551 0.010847 0.410777 Ru\n0.805311 0.923434 0.145120 Br\n0.694689 0.923434 0.645120 Br\n0.194689 0.076566 0.854880 Br\n0.305311 0.076566 0.354880 Br\n0.039686 0.570934 0.087521 Br\n0.460314 0.570934 0.587521 Br\n0.960314 0.429066 0.912479 Br\n0.539686 0.429066 0.412479 Br\n0.402402 0.500034 0.961643 Cl\n0.097598 0.500034 0.461643 Cl\n0.597598 0.499966 0.038357 Cl\n0.902402 0.499966 0.538357 Cl\n0.351650 0.139011 0.016111 Cl\n0.148350 0.139011 0.516111 Cl\n0.648350 0.860989 0.983889 Cl\n0.851650 0.860989 0.483889 Cl\n0.313020 0.397684 0.794684 Cl\n0.186980 0.397684 0.294684 Cl\n0.686980 0.602316 0.205316 Cl\n0.813020 0.602316 0.705316 Cl\n0.217371 0.387419 0.002630 Cl\n0.282629 0.387419 0.502630 Cl\n0.782629 0.612581 0.997370 Cl\n0.717371 0.612581 0.497370 Cl\n0.273649 0.728346 0.065264 Cl\n0.226351 0.728346 0.565264 Cl\n0.726351 0.271654 0.934736 Cl\n0.773649 0.271654 0.434736 Cl\n0.459824 0.795830 0.076054 Cl\n0.040176 0.795830 0.576054 Cl\n0.540176 0.204170 0.923946 Cl\n0.959824 0.204170 0.423946 Cl\n0.392250 0.454289 0.205779 Cl\n0.107750 0.454289 0.705779 Cl\n0.607750 0.545711 0.794221 Cl\n0.892250 0.545711 0.294221 Cl\n0.348331 0.751037 0.271625 Cl\n0.151669 0.751037 0.771625 Cl\n0.651669 0.248963 0.728375 Cl\n0.848331 0.248963 0.228375 Cl\n",
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{
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"created_at": "2022-09-04T14:40:31.974492Z",
"structure_string": "Sm2 Ga5 Cu3\n1.0\n4.207446 0.000000 0.000000\n0.000000 4.207446 0.000000\n0.000000 0.000000 10.265520\nSm Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.744197 Sm\n0.000000 0.500000 0.255803 Sm\n0.000000 0.500000 0.862871 Ga\n0.500000 0.000000 0.378469 Ga\n0.500000 0.000000 0.137129 Ga\n0.000000 0.500000 0.621531 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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{
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"structure_string": "Li10 V6 P16 O58\n1.0\n-9.760957 0.000000 0.000000\n4.859158 8.494844 0.000000\n-0.014473 -0.044132 -14.122690\nLi V P O\n10 6 16 58\ndirect\n0.766416 0.094894 0.443623 Li\n0.892737 0.645781 0.440597 Li\n0.763961 0.670937 0.940164 Li\n0.329909 0.094630 0.936447 Li\n0.322814 0.228182 0.437323 Li\n0.689731 0.919357 0.060887 Li\n0.330863 0.660810 0.895389 Li\n0.099468 0.331487 0.559572 Li\n0.042637 0.063205 0.002537 Li\n0.991878 0.950637 0.498532 Li\n0.561817 0.563083 0.747854 V\n0.435256 0.434841 0.254935 V\n0.562578 0.000963 0.251202 V\n0.433656 0.994785 0.746459 V\n0.993232 0.431681 0.754306 V\n0.000812 0.567093 0.241098 V\n0.918132 0.220354 0.160416 P\n0.776716 0.085293 0.660399 P\n0.913568 0.686630 0.654613 P\n0.660265 0.330601 0.870843 P\n0.675591 0.338198 0.369449 P\n0.769932 0.683990 0.155334 P\n0.696499 0.779537 0.338878 P\n0.312930 0.089475 0.156422 P\n0.686514 0.909519 0.844489 P\n0.313226 0.226315 0.654425 P\n0.217917 0.309917 0.836690 P\n0.327462 0.659022 0.633789 P\n0.336784 0.665840 0.133680 P\n0.086250 0.319910 0.344675 P\n0.213472 0.911310 0.336323 P\n0.085550 0.779523 0.837735 P\n0.999823 0.241322 0.434859 O\n0.921250 0.257645 0.667140 O\n0.769597 0.994462 0.932738 O\n0.744493 0.083918 0.163514 O\n0.922526 0.381946 0.169374 O\n0.810685 0.336710 0.822155 O\n0.918804 0.532074 0.674438 O\n0.984642 0.778705 0.916814 O\n0.917507 0.661907 0.161765 O\n0.677755 0.187936 0.333931 O\n0.622319 0.090575 0.670338 O\n0.812079 0.484043 0.314001 O\n0.667517 0.334344 0.975707 O\n0.711606 0.368004 0.473160 O\n0.658529 0.478931 0.830525 O\n0.469983 0.088411 0.173219 O\n0.514236 0.178514 0.830570 O\n0.747305 0.658659 0.668424 O\n0.790622 0.803069 0.240376 O\n0.804205 0.792524 0.418190 O\n0.771443 0.766699 0.065275 O\n0.620727 0.527227 0.172487 O\n0.514717 0.325267 0.340631 O\n0.662717 0.741136 0.842056 O\n0.470812 0.380170 0.668246 O\n0.334774 0.083551 0.665325 O\n0.793555 0.997768 0.752231 O\n0.792681 0.013308 0.570263 O\n0.190627 0.001375 0.415373 O\n0.659287 0.916766 0.340312 O\n0.542036 0.620307 0.331186 O\n0.342907 0.257355 0.176878 O\n0.478011 0.665700 0.678979 O\n0.369710 0.473103 0.833181 O\n0.209959 0.203824 0.914872 O\n0.229494 0.224044 0.563715 O\n0.196249 0.218612 0.738405 O\n0.254485 0.342591 0.345953 O\n0.489317 0.816230 0.169880 O\n0.520826 0.893795 0.829994 O\n0.329582 0.520505 0.180057 O\n0.333856 0.665719 0.027590 O\n0.315998 0.641616 0.529439 O\n0.182655 0.510470 0.680527 O\n0.374128 0.919434 0.331789 O\n0.329278 0.809488 0.675570 O\n0.076203 0.341345 0.838921 O\n0.994652 0.202775 0.258297 O\n0.003916 0.204733 0.078406 O\n0.088557 0.475669 0.324171 O\n0.188479 0.672556 0.175370 O\n0.095028 0.623507 0.828910 O\n0.256384 0.916948 0.843287 O\n0.239324 0.030710 0.061622 O\n0.191887 0.980671 0.236472 O\n0.074988 0.737706 0.335403 O\n0.983168 0.759117 0.561052 O\n0.021084 0.803397 0.737700 O\n",
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{
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"structure_string": "Cr4 Hg12 Pb8 O32\n1.0\n22.394206 0.000000 0.000000\n0.000000 6.576206 0.000000\n0.000000 2.404240 6.783086\nCr Hg Pb O\n4 12 8 32\ndirect\n0.388596 0.414764 0.864599 Cr\n0.888596 0.585236 0.635401 Cr\n0.111404 0.414764 0.364599 Cr\n0.611404 0.585236 0.135401 Cr\n0.055953 0.495069 0.825156 Hg\n0.717902 0.640642 0.600710 Hg\n0.944047 0.504931 0.174844 Hg\n0.217902 0.359358 0.899290 Hg\n0.861914 0.073750 0.128450 Hg\n0.638086 0.073750 0.628450 Hg\n0.282098 0.359358 0.399290 Hg\n0.782098 0.640642 0.100710 Hg\n0.138086 0.926250 0.871550 Hg\n0.555953 0.504931 0.674844 Hg\n0.361914 0.926250 0.371550 Hg\n0.444047 0.495069 0.325156 Hg\n0.521749 0.028515 0.240636 Pb\n0.798568 0.166463 0.572529 Pb\n0.978251 0.028515 0.740636 Pb\n0.021749 0.971485 0.259364 Pb\n0.298568 0.833537 0.927471 Pb\n0.201432 0.833537 0.427471 Pb\n0.478251 0.971485 0.759364 Pb\n0.701432 0.166463 0.072529 Pb\n0.456440 0.316400 0.940588 O\n0.642409 0.733474 0.256585 O\n0.043560 0.316400 0.440588 O\n0.041724 0.172137 0.921097 O\n0.956440 0.683600 0.559412 O\n0.357591 0.266526 0.743415 O\n0.458276 0.172137 0.421097 O\n0.894618 0.326011 0.780121 O\n0.857591 0.733474 0.756585 O\n0.543560 0.683600 0.059412 O\n0.845107 0.587544 0.444154 O\n0.785885 0.971048 0.009302 O\n0.105382 0.673989 0.219879 O\n0.224293 0.685654 0.791689 O\n0.142409 0.266526 0.243415 O\n0.345107 0.412456 0.055846 O\n0.154893 0.412456 0.555846 O\n0.714115 0.971048 0.509302 O\n0.775707 0.314346 0.208311 O\n0.605382 0.326011 0.280121 O\n0.067490 0.823208 0.731712 O\n0.567490 0.176792 0.768288 O\n0.432510 0.823208 0.231712 O\n0.285885 0.028952 0.490698 O\n0.932510 0.176792 0.268288 O\n0.958276 0.827863 0.078903 O\n0.654893 0.587544 0.944154 O\n0.724293 0.314346 0.708311 O\n0.214115 0.028952 0.990698 O\n0.541724 0.827863 0.578903 O\n0.394618 0.673989 0.719879 O\n0.275707 0.685654 0.291689 O\n",
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}