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{
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{
"id": "mp-1188445",
"created_at": "2022-09-04T14:42:53.508600Z",
"structure_string": "Zr10 Si2 Pb6\n1.0\n4.461116 -7.726880 0.000000\n4.461116 7.726880 0.000000\n0.000000 0.000000 6.085574\nZr Si Pb\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.747142 0.747142 0.250000 Zr\n0.252858 0.000000 0.250000 Zr\n0.000000 0.252858 0.250000 Zr\n0.252858 0.252858 0.750000 Zr\n0.747142 0.000000 0.750000 Zr\n0.000000 0.747142 0.750000 Zr\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.394636 0.394636 0.250000 Pb\n0.605364 0.000000 0.250000 Pb\n0.000000 0.605364 0.250000 Pb\n0.605364 0.605364 0.750000 Pb\n0.394636 0.000000 0.750000 Pb\n0.000000 0.394636 0.750000 Pb\n",
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},
{
"id": "mp-1196506",
"created_at": "2022-09-04T14:43:03.916342Z",
"structure_string": "Zr10 Si12 H72 C24 Br40 O12\n1.0\n-10.173764 0.000000 1.301801\n-0.076300 0.000000 -14.186231\n0.000000 -23.750825 0.000000\nZr Si H C Br O\n10 12 72 24 40 12\ndirect\n0.500000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.838877 0.099855 0.810321 Zr\n0.161123 0.400145 0.310321 Zr\n0.161123 0.900145 0.189679 Zr\n0.838877 0.599855 0.689679 Zr\n0.091190 0.950414 0.866664 Zr\n0.908810 0.549586 0.366664 Zr\n0.908810 0.049586 0.133336 Zr\n0.091190 0.450414 0.633336 Zr\n0.648130 0.156619 0.418362 Si\n0.351870 0.343381 0.918362 Si\n0.351870 0.843381 0.581638 Si\n0.648130 0.656619 0.081638 Si\n0.486253 0.227817 0.525724 Si\n0.513747 0.272183 0.025724 Si\n0.513747 0.772183 0.474276 Si\n0.486253 0.727817 0.974276 Si\n0.336317 0.065809 0.610924 Si\n0.663683 0.434191 0.110924 Si\n0.663683 0.934191 0.389076 Si\n0.336317 0.565809 0.889076 Si\n0.569639 0.281219 0.360878 H\n0.430361 0.218781 0.860878 H\n0.430361 0.718781 0.639122 H\n0.569639 0.781219 0.139122 H\n0.619118 0.189126 0.318558 H\n0.380882 0.310874 0.818558 H\n0.380882 0.810874 0.681442 H\n0.619118 0.689126 0.181442 H\n0.463552 0.172135 0.353492 H\n0.536448 0.327865 0.853492 H\n0.536448 0.827865 0.646508 H\n0.463552 0.672135 0.146508 H\n0.859877 0.171454 0.468572 H\n0.140123 0.328546 0.968572 H\n0.140123 0.828546 0.531428 H\n0.859877 0.671454 0.031428 H\n0.881893 0.181251 0.394058 H\n0.118107 0.318749 0.894058 H\n0.118107 0.818749 0.605942 H\n0.881893 0.681251 0.105942 H\n0.836384 0.278554 0.432455 H\n0.163616 0.221446 0.932455 H\n0.163616 0.721446 0.567545 H\n0.836384 0.778554 0.067545 H\n0.313392 0.332824 0.518087 H\n0.686608 0.167176 0.018087 H\n0.686608 0.667176 0.481913 H\n0.313392 0.832824 0.981913 H\n0.425776 0.349535 0.461362 H\n0.574224 0.150465 0.961362 H\n0.574224 0.650465 0.538638 H\n0.425776 0.849535 0.038638 H\n0.302470 0.249371 0.461430 H\n0.697530 0.250629 0.961430 H\n0.697530 0.750629 0.538570 H\n0.302470 0.749371 0.038570 H\n0.668141 0.251327 0.594884 H\n0.331859 0.248673 0.094884 H\n0.331859 0.748673 0.405116 H\n0.668141 0.751327 0.905116 H\n0.672165 0.349815 0.547970 H\n0.327835 0.150185 0.047970 H\n0.327835 0.650185 0.452030 H\n0.672165 0.849815 0.952030 H\n0.555547 0.336767 0.603029 H\n0.444453 0.163233 0.103029 H\n0.444453 0.663233 0.396971 H\n0.555547 0.836767 0.896971 H\n0.111314 0.053077 0.570421 H\n0.888686 0.446923 0.070421 H\n0.888686 0.946923 0.429579 H\n0.111314 0.553077 0.929579 H\n0.112086 0.005192 0.639936 H\n0.887914 0.494808 0.139936 H\n0.887914 0.994808 0.360064 H\n0.112086 0.505192 0.860064 H\n0.128345 0.129413 0.630425 H\n0.871655 0.370587 0.130425 H\n0.871655 0.870587 0.369575 H\n0.128345 0.629413 0.869575 H\n0.400378 0.162649 0.693877 H\n0.599622 0.337351 0.193877 H\n0.599622 0.837351 0.306123 H\n0.400378 0.662649 0.806123 H\n0.373979 0.040948 0.711791 H\n0.626021 0.459052 0.211791 H\n0.626021 0.959052 0.288209 H\n0.373979 0.540948 0.788209 H\n0.523670 0.088164 0.678053 H\n0.476330 0.411836 0.178053 H\n0.476330 0.911836 0.321947 H\n0.523670 0.588164 0.821947 H\n0.566375 0.203717 0.357309 C\n0.433625 0.296283 0.857309 C\n0.433625 0.796283 0.642691 C\n0.566375 0.703717 0.142691 C\n0.822415 0.200396 0.429776 C\n0.177585 0.299604 0.929776 C\n0.177585 0.799604 0.570224 C\n0.822415 0.700396 0.070224 C\n0.370706 0.295346 0.488218 C\n0.629294 0.204654 0.988218 C\n0.629294 0.704654 0.511782 C\n0.370706 0.795346 0.011782 C\n0.606756 0.296977 0.572079 C\n0.393244 0.203023 0.072079 C\n0.393244 0.703023 0.427921 C\n0.606756 0.796977 0.927921 C\n0.155699 0.063216 0.612481 C\n0.844301 0.436784 0.112481 C\n0.844301 0.936784 0.387519 C\n0.155699 0.563216 0.887519 C\n0.417232 0.091390 0.679609 C\n0.582768 0.408610 0.179609 C\n0.582768 0.908610 0.320391 C\n0.417232 0.591390 0.820391 C\n0.710878 0.005520 0.558376 Br\n0.289122 0.494480 0.058376 Br\n0.289122 0.994480 0.441624 Br\n0.710878 0.505520 0.941624 Br\n0.597624 0.046576 0.828637 Br\n0.402376 0.453424 0.328637 Br\n0.402376 0.953424 0.171363 Br\n0.597624 0.546576 0.671363 Br\n0.844283 0.271572 0.842355 Br\n0.155717 0.228428 0.342355 Br\n0.155717 0.728428 0.157645 Br\n0.844283 0.771572 0.657645 Br\n0.825837 0.126815 0.705109 Br\n0.174163 0.373185 0.205109 Br\n0.174163 0.873185 0.294891 Br\n0.825837 0.626815 0.794891 Br\n0.911733 0.052523 0.919123 Br\n0.088267 0.447477 0.419123 Br\n0.088267 0.947477 0.080877 Br\n0.911733 0.552523 0.580877 Br\n0.877727 0.910641 0.796424 Br\n0.122273 0.589359 0.296424 Br\n0.122273 0.089359 0.203576 Br\n0.877727 0.410641 0.703576 Br\n0.114640 0.113927 0.800202 Br\n0.885360 0.386073 0.300202 Br\n0.885360 0.886073 0.199798 Br\n0.114640 0.613927 0.699798 Br\n0.017583 0.807633 0.928577 Br\n0.982417 0.692367 0.428577 Br\n0.982417 0.192367 0.071423 Br\n0.017583 0.307633 0.571423 Br\n0.276214 0.028434 0.930015 Br\n0.723786 0.471566 0.430015 Br\n0.723786 0.971566 0.069985 Br\n0.276214 0.528434 0.569985 Br\n0.236315 0.866952 0.800187 Br\n0.763686 0.633048 0.300187 Br\n0.763686 0.133048 0.199813 Br\n0.236315 0.366952 0.699813 Br\n0.622529 0.036223 0.418730 O\n0.377471 0.463777 0.918730 O\n0.377471 0.963777 0.581270 O\n0.622529 0.536223 0.081270 O\n0.559123 0.159505 0.478475 O\n0.440877 0.340495 0.978475 O\n0.440877 0.840495 0.521525 O\n0.559123 0.659505 0.021525 O\n0.412128 0.130060 0.558187 O\n0.587872 0.369940 0.058187 O\n0.587872 0.869940 0.441813 O\n0.412128 0.630060 0.941813 O\n",
"nsites": 170,
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"elements": [
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"H",
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"formula_full": "Zr10 Si12 H72 C24 Br40 O12",
"formula_reduced": "Zr5Si6H36C12(Br10O3)2",
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"updated_at": "2021-11-28T01:36:15.549000Z",
"spacegroup": 14
},
{
"id": "mp-675672",
"created_at": "2022-09-04T14:42:45.576054Z",
"structure_string": "Zr10 Sc4 O26\n1.0\n6.494066 -4.839989 0.000000\n6.494066 4.839989 0.000000\n2.886851 0.000000 7.567330\nZr Sc O\n10 4 26\ndirect\n0.004407 0.004407 0.004407 Zr\n0.286004 0.134949 0.547546 Zr\n0.547546 0.286004 0.134949 Zr\n0.602351 0.097972 0.789196 Zr\n0.134949 0.547546 0.286004 Zr\n0.789196 0.602351 0.097972 Zr\n0.867062 0.449564 0.710532 Zr\n0.097972 0.789196 0.602351 Zr\n0.449564 0.710532 0.867062 Zr\n0.710532 0.867062 0.449564 Zr\n0.904482 0.211312 0.394906 Sc\n0.211312 0.394906 0.904482 Sc\n0.500275 0.500275 0.500275 Sc\n0.394906 0.904482 0.211312 Sc\n0.173303 0.021942 0.402160 O\n0.507731 0.047035 0.333749 O\n0.402160 0.173303 0.021942 O\n0.868631 0.047580 0.257911 O\n0.021942 0.402160 0.173303 O\n0.047035 0.333749 0.507731 O\n0.047580 0.257911 0.868631 O\n0.356750 0.356750 0.356750 O\n0.387166 0.282212 0.683156 O\n0.333749 0.507731 0.047035 O\n0.746184 0.127854 0.952464 O\n0.683156 0.387166 0.282212 O\n0.716551 0.314427 0.617940 O\n0.282212 0.683156 0.387166 O\n0.314427 0.617940 0.716551 O\n0.257911 0.868631 0.047580 O\n0.667623 0.488592 0.953035 O\n0.617940 0.716551 0.314427 O\n0.643541 0.643541 0.643541 O\n0.952464 0.746184 0.127854 O\n0.953035 0.667623 0.488592 O\n0.971869 0.603855 0.826178 O\n0.127854 0.952464 0.746184 O\n0.603855 0.826178 0.971869 O\n0.488592 0.953035 0.667623 O\n0.826178 0.971869 0.603855 O\n",
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{
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{
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{
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},
{
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"structure_string": "Zr10 Sb6 Ru2\n1.0\n4.365949 -7.562045 0.000000\n4.365949 7.562045 0.000000\n0.000000 0.000000 5.899617\nZr Sb Ru\n10 6 2\ndirect\n0.666667 0.333333 0.500000 Zr\n0.333333 0.666667 0.500000 Zr\n0.333333 0.666667 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.744102 0.744102 0.250000 Zr\n0.255898 0.000000 0.250000 Zr\n0.000000 0.255898 0.250000 Zr\n0.255898 0.255898 0.750000 Zr\n0.744102 0.000000 0.750000 Zr\n0.000000 0.744102 0.750000 Zr\n0.393636 0.393636 0.250000 Sb\n0.606364 0.000000 0.250000 Sb\n0.000000 0.606364 0.250000 Sb\n0.606364 0.606364 0.750000 Sb\n0.393636 0.000000 0.750000 Sb\n0.000000 0.393636 0.750000 Sb\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
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