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{
"id": "mp-1190587",
"created_at": "2022-09-04T14:39:12.056058Z",
"structure_string": "Eu1 H9 C5 N2 O8\n1.0\n3.740887 5.856909 0.000000\n-3.740887 5.856909 0.000000\n0.000000 2.182786 6.501619\nEu H C N O\n1 9 5 2 8\ndirect\n0.326102 0.673898 0.000000 Eu\n0.123109 0.318466 0.421785 H\n0.681534 0.876891 0.578215 H\n0.846709 0.412260 0.537298 H\n0.587740 0.153291 0.462702 H\n0.886620 0.147246 0.812610 H\n0.852754 0.113380 0.187390 H\n0.246537 0.753463 0.500000 H\n0.476474 0.143369 0.880063 H\n0.856631 0.523526 0.119937 H\n0.035540 0.145836 0.701992 C\n0.854164 0.964460 0.298008 C\n0.394714 0.605286 0.500000 C\n0.376342 0.147971 0.036497 C\n0.852029 0.623658 0.963503 C\n0.001297 0.304955 0.541272 N\n0.695045 0.998703 0.458728 N\n0.216431 0.004331 0.731699 O\n0.995669 0.783569 0.268301 O\n0.465372 0.520077 0.339299 O\n0.479923 0.534628 0.660701 O\n0.335225 0.309013 0.118217 O\n0.690987 0.664775 0.881783 O\n0.312251 0.994797 0.120791 O\n0.005203 0.687749 0.879209 O\n",
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{
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"created_at": "2022-09-04T14:39:12.063741Z",
"structure_string": "Na24 B52 O90\n1.0\n9.300867 -0.000700 -2.538331\n-0.860582 10.236786 -3.152030\n0.008815 0.008064 18.349756\nNa B O\n24 52 90\ndirect\n0.389472 0.310578 0.908351 Na\n0.718777 0.321984 0.753585 Na\n0.587991 0.836568 0.407060 Na\n0.305838 0.197279 0.398925 Na\n0.035758 0.823828 0.753610 Na\n0.814897 0.332217 0.405925 Na\n0.695842 0.798363 0.600509 Na\n0.038762 0.224542 0.913407 Na\n0.506698 0.298079 0.257123 Na\n0.964922 0.314848 0.090264 Na\n0.496419 0.041569 0.745029 Na\n0.482077 0.899325 0.089846 Na\n0.282043 0.569163 0.246239 Na\n0.092823 0.698300 0.398365 Na\n0.518311 0.808572 0.910265 Na\n0.747558 0.798148 0.253922 Na\n0.876449 0.719669 0.909070 Na\n0.905071 0.299497 0.602296 Na\n0.248169 0.546329 0.745563 Na\n0.966223 0.068747 0.246039 Na\n0.410341 0.430225 0.592780 Na\n0.186276 0.926859 0.593333 Na\n0.611187 0.397606 0.088931 Na\n0.124256 0.814021 0.089381 Na\n0.922044 0.015987 0.047649 B\n0.603117 0.231456 0.540152 B\n0.792089 0.854642 0.087063 B\n0.567204 0.037498 0.308354 B\n0.431326 0.162362 0.605344 B\n0.104745 0.433359 0.535156 B\n0.581835 0.586012 0.764917 B\n0.893559 0.900218 0.466413 B\n0.691565 0.792335 0.770641 B\n0.063239 0.189322 0.460556 B\n0.817732 0.321089 0.234965 B\n0.428414 0.933133 0.534181 B\n0.416612 0.821199 0.234548 B\n0.182962 0.085879 0.765728 B\n0.660277 0.071812 0.610475 B\n0.339430 0.460167 0.387552 B\n0.271635 0.152989 0.130463 B\n0.741164 0.537997 0.308338 B\n0.918688 0.087699 0.697396 B\n0.777915 0.586372 0.696826 B\n0.080983 0.390418 0.302461 B\n0.639881 0.117393 0.986055 B\n0.382215 0.598988 0.123440 B\n0.873379 0.465786 0.952204 B\n0.432863 0.728520 0.690705 B\n0.257355 0.974562 0.876664 B\n0.618999 0.474556 0.876188 B\n0.173673 0.662271 0.605566 B\n0.702770 0.265684 0.911909 B\n0.950069 0.571870 0.611300 B\n0.568807 0.556874 0.393838 B\n0.297596 0.354472 0.088078 B\n0.258794 0.227149 0.691255 B\n0.345457 0.619302 0.987277 B\n0.360651 0.130687 0.013996 B\n0.730879 0.021905 0.870425 B\n0.918802 0.522121 0.228279 B\n0.078790 0.968243 0.952189 B\n0.743016 0.099344 0.123367 B\n0.395048 0.689264 0.458916 B\n0.080944 0.292958 0.771351 B\n0.571807 0.400504 0.465335 B\n0.221900 0.891149 0.303241 B\n0.140504 0.523251 0.871141 B\n0.825424 0.055723 0.394343 B\n0.935940 0.731157 0.541208 B\n0.860393 0.652205 0.128945 B\n0.309303 0.022569 0.229064 B\n0.654129 0.631742 0.013193 B\n0.207181 0.767172 0.912786 B\n0.049454 0.960779 0.389200 B\n0.127102 0.515084 0.048067 B\n0.655821 0.713338 0.816757 O\n0.322857 0.803580 0.286994 O\n0.951186 0.595610 0.178221 O\n0.919171 0.173979 0.454899 O\n0.879393 0.783869 0.140371 O\n0.892033 0.888494 0.043043 O\n0.696019 0.107609 0.353842 O\n0.263543 0.000890 0.805048 O\n0.554329 0.902748 0.289724 O\n0.785321 0.023829 0.655931 O\n0.604425 0.332289 0.864964 O\n0.872166 0.522367 0.657053 O\n0.963916 0.303347 0.287242 O\n0.737289 0.196592 0.195580 O\n0.352609 0.811039 0.494168 O\n0.140588 0.311170 0.495913 O\n0.329040 0.739177 0.974369 O\n0.291216 0.587709 0.426906 O\n0.002177 0.047626 0.000847 O\n0.135945 0.088480 0.428397 O\n0.152621 0.388088 0.044740 O\n0.564342 0.551509 0.943929 O\n0.129177 0.866880 0.344009 O\n0.786320 0.722317 0.721484 O\n0.079508 0.720784 0.545714 O\n0.619913 0.107568 0.055628 O\n0.706599 0.159732 0.570513 O\n0.533984 0.674838 0.453681 O\n0.736747 0.142048 0.858640 O\n0.541745 0.501033 0.804559 O\n0.220715 0.618799 0.098379 O\n0.215143 0.365871 0.342064 O\n0.675636 0.007617 0.931622 O\n0.935702 0.224084 0.722648 O\n0.026796 0.904648 0.453153 O\n0.343161 0.896922 0.182595 O\n0.640793 0.237040 0.972523 O\n0.879077 0.119517 0.098629 O\n0.215219 0.002804 0.279148 O\n0.772577 0.916804 0.820898 O\n0.908057 0.982130 0.340874 O\n0.091409 0.642585 0.659315 O\n0.380433 0.049413 0.945095 O\n0.107693 0.845248 0.956726 O\n0.736327 0.402839 0.290771 O\n0.120332 0.643495 0.859860 O\n0.437253 0.608305 0.055893 O\n0.838268 0.396159 0.182538 O\n0.256237 0.509059 0.932433 O\n0.433307 0.482428 0.339981 O\n0.425236 0.403346 0.451118 O\n0.740532 0.967793 0.134142 O\n0.657183 0.608258 0.353073 O\n0.120552 0.019315 0.900536 O\n0.458853 0.697114 0.195344 O\n0.863260 0.660412 0.572198 O\n0.647090 0.320418 0.507060 O\n0.327550 0.076994 0.069843 O\n0.832947 0.603445 0.281737 O\n0.035972 0.016524 0.713300 O\n0.062981 0.502254 0.278350 O\n0.464700 0.222049 0.545508 O\n0.228742 0.098141 0.180008 O\n0.000239 0.544387 0.999836 O\n0.669828 0.764796 0.025933 O\n0.786417 0.969805 0.437346 O\n0.650786 0.471883 0.437729 O\n0.971321 0.451537 0.547563 O\n0.574598 0.950567 0.547173 O\n0.743410 0.577010 0.068131 O\n0.266314 0.111359 0.710673 O\n0.350257 0.032962 0.561685 O\n0.443555 0.613047 0.710312 O\n0.859116 0.820349 0.507935 O\n0.396534 0.467759 0.134353 O\n0.552913 0.818569 0.715215 O\n0.567458 0.141893 0.658684 O\n0.780545 0.517689 0.900443 O\n0.211169 0.532805 0.562729 O\n0.259271 0.831954 0.865301 O\n0.356452 0.263963 0.026155 O\n0.674408 0.515328 0.711470 O\n0.304278 0.753644 0.645226 O\n0.448547 0.103758 0.283451 O\n0.847042 0.343487 0.956874 O\n0.164698 0.318055 0.716315 O\n0.341887 0.252749 0.646143 O\n0.161751 0.213921 0.817744 O\n0.050931 0.418387 0.820094 O\n0.265142 0.284555 0.141837 O\n",
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"energy": -1280.21344714,
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"spacegroup": 1
},
{
"id": "mp-581143",
"created_at": "2022-09-04T14:39:12.078251Z",
"structure_string": "Ru4 O4 F16\n1.0\n8.849449 0.000000 0.000000\n0.000000 6.267001 0.000000\n0.000000 6.116806 6.476497\nRu O F\n4 4 16\ndirect\n0.822194 0.805316 0.149072 Ru\n0.677806 0.805316 0.649072 Ru\n0.322194 0.194684 0.350928 Ru\n0.177806 0.194684 0.850928 Ru\n0.363200 0.176591 0.860738 O\n0.863200 0.823409 0.639262 O\n0.136800 0.176591 0.360738 O\n0.636800 0.823409 0.139262 O\n0.111557 0.838270 0.119322 F\n0.123194 0.547716 0.588381 F\n0.879183 0.615034 0.062592 F\n0.623194 0.452284 0.911619 F\n0.620817 0.615034 0.562592 F\n0.876806 0.452284 0.411619 F\n0.614705 0.981160 0.744424 F\n0.388443 0.838270 0.619322 F\n0.376806 0.547716 0.088381 F\n0.888443 0.161730 0.880678 F\n0.385295 0.018840 0.255576 F\n0.611557 0.161730 0.380678 F\n0.120817 0.384966 0.937408 F\n0.379183 0.384966 0.437408 F\n0.885295 0.981160 0.244424 F\n0.114705 0.018840 0.755576 F\n",
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{
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"structure_string": "Cd1 As2 O6\n1.0\n2.464251 -4.268208 0.000000\n2.464251 4.268208 0.000000\n0.000000 0.000000 4.985325\nCd As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666667 0.333333 0.500000 As\n0.333333 0.666667 0.500000 As\n0.623561 0.623561 0.709368 O\n0.376439 0.000000 0.709368 O\n0.000000 0.376439 0.709368 O\n0.623561 0.000000 0.290632 O\n0.000000 0.623561 0.290632 O\n0.376439 0.376439 0.290632 O\n",
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{
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"structure_string": "Sr1 Mg6 Mo1\n1.0\n6.559894 0.000000 0.000000\n0.000000 6.559894 0.000000\n0.000000 0.000000 4.360842\nSr Mg Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.216241 0.783759 0.000000 Mg\n0.783759 0.216241 0.000000 Mg\n0.216241 0.216241 0.000000 Mg\n0.783759 0.783759 0.000000 Mg\n0.000000 0.000000 0.500000 Mo\n",
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{
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{
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