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{
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"structure_string": "Si8 Mo4 O28\n1.0\n3.999356 8.274659 0.000000\n-3.999356 8.274659 0.000000\n0.000000 4.937631 8.820729\nSi Mo O\n8 4 28\ndirect\n0.524236 0.133974 0.652878 Si\n0.133974 0.524236 0.152878 Si\n0.539281 0.186297 0.106691 Si\n0.186297 0.539281 0.606691 Si\n0.866026 0.475764 0.847122 Si\n0.460719 0.813703 0.893309 Si\n0.813703 0.460719 0.393309 Si\n0.475764 0.866026 0.347122 Si\n0.781007 0.218993 0.750000 Mo\n0.218993 0.781007 0.250000 Mo\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.887221 0.255905 0.371163 O\n0.959353 0.915738 0.390183 O\n0.432292 0.745537 0.082552 O\n0.915738 0.959353 0.890183 O\n0.264829 0.902679 0.352012 O\n0.007883 0.509101 0.683203 O\n0.745537 0.432292 0.582552 O\n0.097321 0.735171 0.147988 O\n0.992117 0.490899 0.316797 O\n0.626460 0.642913 0.328971 O\n0.040647 0.084262 0.609817 O\n0.735171 0.097321 0.647988 O\n0.490899 0.992117 0.816797 O\n0.255905 0.887221 0.871163 O\n0.642913 0.626460 0.828971 O\n0.902679 0.264829 0.852012 O\n0.891890 0.464001 0.998789 O\n0.373540 0.357087 0.671029 O\n0.535999 0.108110 0.501211 O\n0.357087 0.373540 0.171029 O\n0.509101 0.007883 0.183203 O\n0.084262 0.040647 0.109817 O\n0.464001 0.891890 0.498789 O\n0.567708 0.254463 0.917448 O\n0.108110 0.535999 0.001211 O\n0.254463 0.567708 0.417448 O\n0.744095 0.112779 0.128837 O\n0.112779 0.744095 0.628837 O\n",
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{
"id": "mp-722729",
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"structure_string": "Yb12 Cl26\n1.0\n-6.592777 0.000000 0.000000\n-0.004215 -6.879909 0.000000\n3.201885 2.843963 20.471575\nYb Cl\n12 26\ndirect\n0.659416 0.347796 0.258575 Yb\n0.340584 0.652204 0.741425 Yb\n0.818258 0.493092 0.581114 Yb\n0.181742 0.506908 0.418886 Yb\n0.896366 0.152462 0.743747 Yb\n0.103634 0.847538 0.256253 Yb\n0.980160 0.624325 0.906857 Yb\n0.019840 0.375675 0.093143 Yb\n0.575500 0.878876 0.093508 Yb\n0.424500 0.121124 0.906492 Yb\n0.738723 0.009803 0.419894 Yb\n0.261277 0.990197 0.580106 Yb\n0.739205 0.114146 0.012673 Cl\n0.260795 0.885854 0.987327 Cl\n0.387991 0.215772 0.142637 Cl\n0.612009 0.784228 0.857363 Cl\n0.892712 0.102990 0.175690 Cl\n0.107288 0.897010 0.824310 Cl\n0.489413 0.017131 0.291804 Cl\n0.510587 0.982869 0.708196 Cl\n0.981299 0.177402 0.338937 Cl\n0.018701 0.822598 0.661063 Cl\n0.574277 0.374602 0.430190 Cl\n0.425723 0.625398 0.569810 Cl\n0.058225 0.251045 0.499898 Cl\n0.941775 0.748955 0.500102 Cl\n0.635334 0.130458 0.564478 Cl\n0.364666 0.869542 0.435522 Cl\n0.133433 0.319558 0.660720 Cl\n0.866567 0.680442 0.339280 Cl\n0.693364 0.481017 0.709064 Cl\n0.306636 0.518983 0.290936 Cl\n0.213718 0.397914 0.823779 Cl\n0.786282 0.602086 0.176221 Cl\n0.743589 0.286508 0.859301 Cl\n0.256411 0.713492 0.140699 Cl\n0.225272 0.384636 0.986474 Cl\n0.774728 0.615364 0.013526 Cl\n",
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"formula_full": "Yb12 Cl26",
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},
{
"id": "mp-699482",
"created_at": "2022-09-04T14:40:16.172908Z",
"structure_string": "Na4 H40 C2 O26\n1.0\n4.453496 6.392407 0.000000\n-4.453496 6.392407 0.000000\n0.000000 5.498758 11.343102\nNa H C O\n4 40 2 26\ndirect\n0.834064 0.897921 0.627855 Na\n0.897921 0.834064 0.127855 Na\n0.166601 0.096949 0.374067 Na\n0.096949 0.166601 0.874067 Na\n0.429572 0.937790 0.180347 H\n0.937790 0.429572 0.680347 H\n0.379681 0.162770 0.128520 H\n0.162770 0.379681 0.628520 H\n0.619438 0.846432 0.879120 H\n0.846432 0.619438 0.379120 H\n0.568214 0.067527 0.812352 H\n0.067527 0.568214 0.312352 H\n0.849895 0.303383 0.520477 H\n0.303383 0.849895 0.020477 H\n0.992581 0.213612 0.597686 H\n0.213612 0.992581 0.097686 H\n0.023183 0.769163 0.401898 H\n0.769163 0.023183 0.901898 H\n0.168047 0.701166 0.478629 H\n0.701166 0.168047 0.978629 H\n0.363994 0.405159 0.349103 H\n0.405159 0.363994 0.849103 H\n0.366726 0.388295 0.227213 H\n0.388295 0.366726 0.727213 H\n0.681626 0.596511 0.617200 H\n0.596511 0.681626 0.117200 H\n0.634099 0.587866 0.752637 H\n0.587866 0.634099 0.252637 H\n0.204542 0.664334 0.659542 H\n0.664334 0.204542 0.159542 H\n0.149463 0.808236 0.736351 H\n0.808236 0.149463 0.236351 H\n0.775801 0.342131 0.328241 H\n0.342131 0.775801 0.828241 H\n0.956667 0.363409 0.217302 H\n0.363409 0.956667 0.717302 H\n0.542546 0.811651 0.439709 H\n0.811651 0.542546 0.939709 H\n0.570187 0.003917 0.340949 H\n0.003917 0.570187 0.840949 H\n0.483840 0.193406 0.563445 H\n0.193406 0.483840 0.063445 H\n0.511830 0.015313 0.522210 H\n0.015313 0.511831 0.022210 H\n0.514621 0.502695 0.485584 C\n0.502695 0.514621 0.985584 C\n0.322160 0.054837 0.176278 O\n0.054837 0.322160 0.676278 O\n0.675444 0.952829 0.822522 O\n0.952829 0.675444 0.322522 O\n0.939792 0.183796 0.547031 O\n0.183796 0.939792 0.047031 O\n0.068731 0.809737 0.451794 O\n0.809737 0.068731 0.951794 O\n0.285978 0.386699 0.308507 O\n0.386699 0.285978 0.808507 O\n0.730938 0.609678 0.675868 O\n0.609678 0.730938 0.175868 O\n0.096331 0.731892 0.712383 O\n0.731892 0.096331 0.212383 O\n0.899256 0.269499 0.287088 O\n0.269499 0.899256 0.787088 O\n0.484005 0.949677 0.417733 O\n0.949677 0.484005 0.917733 O\n0.525029 0.054367 0.586213 O\n0.054367 0.525029 0.086213 O\n0.648616 0.557583 0.494107 O\n0.557583 0.648616 0.994107 O\n0.535740 0.456495 0.391768 O\n0.456495 0.535740 0.891768 O\n0.360014 0.493039 0.571998 O\n0.493039 0.360014 0.071998 O\n",
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"volume": 645.8435371705632,
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"formula_full": "Na4 H40 C2 O26",
"formula_reduced": "Na2H20CO13",
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"energy": -388.90421541,
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{
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"created_at": "2022-09-04T14:40:16.174790Z",
"structure_string": "Er8 Ge8 O28\n1.0\n6.827080 0.000000 0.000000\n0.000000 6.827080 0.000000\n0.000000 0.000000 12.433096\nEr Ge O\n8 8 28\ndirect\n0.646020 0.125790 0.364977 Er\n0.353980 0.874210 0.864977 Er\n0.125790 0.646020 0.635023 Er\n0.625790 0.853980 0.114977 Er\n0.374210 0.146020 0.614977 Er\n0.853980 0.625790 0.885023 Er\n0.146020 0.374210 0.385023 Er\n0.874210 0.353980 0.135023 Er\n0.848953 0.099690 0.881492 Ge\n0.151047 0.900310 0.381492 Ge\n0.099690 0.848953 0.118508 Ge\n0.599690 0.651047 0.631492 Ge\n0.400310 0.348953 0.131492 Ge\n0.651047 0.599690 0.368508 Ge\n0.348953 0.400310 0.868508 Ge\n0.900310 0.151047 0.618508 Ge\n0.856918 0.319023 0.955559 O\n0.143082 0.680977 0.455559 O\n0.319023 0.856918 0.044441 O\n0.819023 0.643082 0.705559 O\n0.180977 0.356918 0.205559 O\n0.643082 0.819023 0.294441 O\n0.356918 0.180977 0.794441 O\n0.680977 0.143082 0.544441 O\n0.661715 0.934524 0.929234 O\n0.338285 0.065476 0.429234 O\n0.934524 0.661715 0.070766 O\n0.434524 0.838285 0.679234 O\n0.565476 0.161715 0.179234 O\n0.838285 0.434524 0.320766 O\n0.161715 0.565476 0.820766 O\n0.065476 0.338285 0.570766 O\n0.803589 0.196411 0.750000 O\n0.303589 0.303589 0.000000 O\n0.696411 0.696411 0.500000 O\n0.196411 0.803589 0.250000 O\n0.079271 0.966450 0.622189 O\n0.533550 0.579271 0.872189 O\n0.466450 0.420729 0.372189 O\n0.579271 0.533550 0.127811 O\n0.420729 0.466450 0.627811 O\n0.920729 0.033550 0.122189 O\n0.966450 0.079271 0.377811 O\n0.033550 0.920729 0.877811 O\n",
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{
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{
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{
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{
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