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{
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"structure_string": "Sn2 H24 C8 S4 Cl8\n1.0\n12.765721 0.000000 0.000000\n0.000000 7.250308 0.000000\n0.000000 4.901789 8.171421\nSn H C S Cl\n2 24 8 4 8\ndirect\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.791996 0.467030 0.400698 H\n0.708004 0.467030 0.900698 H\n0.208004 0.532970 0.599302 H\n0.291996 0.532970 0.099302 H\n0.925593 0.437033 0.356499 H\n0.574407 0.437033 0.856499 H\n0.074407 0.562967 0.643501 H\n0.425593 0.562967 0.143501 H\n0.890739 0.653280 0.388216 H\n0.609261 0.653280 0.888216 H\n0.109261 0.346720 0.611784 H\n0.390739 0.346720 0.111784 H\n0.749217 0.971558 0.168616 H\n0.750783 0.971558 0.668616 H\n0.250783 0.028442 0.831384 H\n0.249217 0.028442 0.331384 H\n0.703312 0.963517 0.993358 H\n0.796688 0.963517 0.493358 H\n0.296688 0.036483 0.006642 H\n0.203312 0.036483 0.506642 H\n0.667398 0.752680 0.196444 H\n0.832602 0.752680 0.696444 H\n0.332602 0.247320 0.803556 H\n0.167398 0.247320 0.303556 H\n0.864695 0.552387 0.340506 C\n0.635305 0.552387 0.840506 C\n0.135305 0.447613 0.659494 C\n0.364695 0.447613 0.159494 C\n0.728702 0.867141 0.121512 C\n0.771298 0.867141 0.621512 C\n0.271298 0.132859 0.878488 C\n0.228702 0.132859 0.378488 C\n0.839733 0.712272 0.123953 S\n0.660267 0.712272 0.623953 S\n0.160267 0.287728 0.876047 S\n0.339733 0.287728 0.376047 S\n0.043598 0.869569 0.816541 Cl\n0.456402 0.869569 0.316541 Cl\n0.956402 0.130431 0.183459 Cl\n0.543598 0.130431 0.683459 Cl\n0.119738 0.735884 0.208163 Cl\n0.380262 0.735884 0.708163 Cl\n0.880262 0.264116 0.791837 Cl\n0.619738 0.264116 0.291837 Cl\n",
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{
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"created_at": "2022-09-04T14:39:27.523558Z",
"structure_string": "Sr4 Cr4 P8 O28\n1.0\n8.497906 0.000000 0.000000\n0.000000 5.475729 0.000000\n0.000000 5.406406 12.884398\nSr Cr P O\n4 4 8 28\ndirect\n0.171021 0.486054 0.225420 Sr\n0.671021 0.513946 0.274580 Sr\n0.828979 0.513946 0.774580 Sr\n0.328979 0.486054 0.725420 Sr\n0.138392 0.809575 0.895712 Cr\n0.861608 0.190425 0.104288 Cr\n0.638392 0.190425 0.604288 Cr\n0.361608 0.809575 0.395712 Cr\n0.288048 0.168566 0.519089 P\n0.788048 0.831434 0.980911 P\n0.711952 0.831434 0.480911 P\n0.211952 0.168566 0.019089 P\n0.971196 0.917533 0.327892 P\n0.528804 0.917533 0.827892 P\n0.028804 0.082467 0.672108 P\n0.471196 0.082467 0.172108 P\n0.290231 0.371613 0.407989 O\n0.790231 0.628387 0.092011 O\n0.709769 0.628387 0.592011 O\n0.209769 0.371613 0.907989 O\n0.173316 0.881541 0.032015 O\n0.673316 0.118459 0.467985 O\n0.826684 0.118459 0.967985 O\n0.326684 0.881541 0.532015 O\n0.442377 0.304347 0.210559 O\n0.942377 0.695653 0.289441 O\n0.557623 0.695653 0.789441 O\n0.057623 0.304347 0.710559 O\n0.391980 0.169139 0.057725 O\n0.891980 0.830861 0.442275 O\n0.608020 0.830861 0.942275 O\n0.108020 0.169139 0.557725 O\n0.355983 0.965223 0.844320 O\n0.855983 0.034777 0.655680 O\n0.644017 0.034777 0.155680 O\n0.144017 0.965223 0.344320 O\n0.392760 0.252417 0.591810 O\n0.892760 0.747583 0.908190 O\n0.399166 0.817481 0.242708 O\n0.107240 0.252417 0.091810 O\n0.100834 0.817481 0.742708 O\n0.600834 0.182519 0.757292 O\n0.899166 0.182519 0.257292 O\n0.607240 0.747583 0.408190 O\n",
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"formula_full": "Sr4 Cr4 P8 O28",
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{
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{
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"structure_string": "La2 In1 Ga1\n1.0\n-5.808876 6.479900 9.180947\n5.808876 -6.479900 9.180947\n5.808876 6.479900 -9.180947\nLa In Ga\n2 1 1\ndirect\n0.000000 0.238372 0.238372 La\n0.000000 0.761628 0.761628 La\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
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{
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"structure_string": "Li1 Ag1 Cl1 O4\n1.0\n4.682528 0.000000 2.703459\n1.560843 4.414730 2.703459\n0.000000 0.000000 5.406918\nLi Ag Cl O\n1 1 1 4\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Cl\n0.111083 0.666752 0.111083 O\n0.111083 0.111083 0.111083 O\n0.666752 0.111083 0.111083 O\n0.111083 0.111083 0.666752 O\n",
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{
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"structure_string": "Sc1 Ni1 Bi1\n1.0\n0.000000 3.127944 3.127944\n3.127944 0.000000 3.127944\n3.127944 3.127944 0.000000\nSc Ni Bi\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Bi\n",
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{
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"structure_string": "Ca4 B24 O40\n1.0\n8.819626 0.000000 0.000000\n0.000000 9.178102 0.000000\n0.000000 4.494033 8.865204\nCa B O\n4 24 40\ndirect\n0.113928 0.963220 0.778044 Ca\n0.386072 0.463220 0.778044 Ca\n0.886072 0.036780 0.221956 Ca\n0.613928 0.536780 0.221956 Ca\n0.267093 0.123765 0.078967 B\n0.767093 0.376235 0.921033 B\n0.228306 0.557473 0.502730 B\n0.026074 0.263814 0.917285 B\n0.119709 0.778676 0.557030 B\n0.444012 0.244772 0.326067 B\n0.970512 0.560796 0.782699 B\n0.728306 0.942527 0.497270 B\n0.526074 0.236186 0.082715 B\n0.271694 0.057473 0.502730 B\n0.232907 0.623765 0.078967 B\n0.973926 0.736186 0.082715 B\n0.944012 0.255228 0.673933 B\n0.732907 0.876235 0.921033 B\n0.880291 0.221324 0.442970 B\n0.555988 0.755228 0.673933 B\n0.470512 0.939204 0.217301 B\n0.619709 0.721324 0.442970 B\n0.473926 0.763814 0.917285 B\n0.380291 0.278676 0.557030 B\n0.029488 0.439204 0.217301 B\n0.771694 0.442527 0.497270 B\n0.529488 0.060796 0.782699 B\n0.055988 0.744772 0.326067 B\n0.970226 0.801058 0.196876 O\n0.311281 0.417750 0.570044 O\n0.029774 0.198942 0.803124 O\n0.630761 0.748503 0.979248 O\n0.384663 0.649703 0.047499 O\n0.860384 0.398324 0.624612 O\n0.319247 0.967666 0.168889 O\n0.130761 0.751497 0.020752 O\n0.180753 0.467666 0.168889 O\n0.506485 0.783175 0.319741 O\n0.115337 0.149703 0.047499 O\n0.819247 0.532334 0.831111 O\n0.811281 0.082250 0.429956 O\n0.049279 0.834101 0.405738 O\n0.680753 0.032334 0.831111 O\n0.730530 0.849190 0.421093 O\n0.269470 0.150810 0.578907 O\n0.188719 0.917750 0.570044 O\n0.869239 0.248503 0.979248 O\n0.529774 0.301058 0.196876 O\n0.470226 0.698942 0.803124 O\n0.577056 0.064615 0.155163 O\n0.230530 0.650810 0.578907 O\n0.549279 0.665899 0.594262 O\n0.422944 0.935385 0.844837 O\n0.369239 0.251497 0.020752 O\n0.615337 0.350297 0.952501 O\n0.139616 0.601676 0.375388 O\n0.639616 0.898324 0.624612 O\n0.884663 0.850297 0.952501 O\n0.077056 0.435385 0.844837 O\n0.769470 0.349190 0.421093 O\n0.493515 0.216825 0.680259 O\n0.360384 0.101676 0.375388 O\n0.922944 0.564615 0.155163 O\n0.688719 0.582250 0.429956 O\n0.950721 0.165899 0.594262 O\n0.006485 0.716825 0.680259 O\n0.993515 0.283175 0.319741 O\n0.450721 0.334101 0.405738 O\n",
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{
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"structure_string": "Tb2 Cr2 O8\n1.0\n-3.621846 3.621846 3.154819\n3.621846 -3.621846 3.154819\n3.621846 3.621846 -3.154819\nTb Cr O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Tb\n0.750000 0.250000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.326115 0.509705 0.183590 O\n0.392525 0.076115 0.316410 O\n0.759705 0.076115 0.683590 O\n0.326115 0.142525 0.816410 O\n0.857475 0.673885 0.183590 O\n0.923885 0.240295 0.316410 O\n0.923885 0.607475 0.683590 O\n0.490295 0.673885 0.816410 O\n",
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{
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{
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{
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{
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}