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{
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{
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{
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"structure_string": "Cs4 K4 Mo16 P24 O104\n1.0\n19.190607 0.000000 0.000000\n0.000000 6.492972 0.000000\n0.000000 0.664622 19.124680\nCs K Mo P O\n4 4 16 24 104\ndirect\n0.155779 0.612536 0.425835 Cs\n0.344221 0.612536 0.925835 Cs\n0.655779 0.387464 0.074165 Cs\n0.844221 0.387464 0.574165 Cs\n0.500641 0.801334 0.721314 K\n0.999359 0.801334 0.221314 K\n0.499359 0.198666 0.278686 K\n0.000641 0.198666 0.778686 K\n0.833643 0.895390 0.721616 Mo\n0.842236 0.396017 0.218009 Mo\n0.376962 0.127731 0.062180 Mo\n0.342236 0.603983 0.281991 Mo\n0.333643 0.104610 0.778384 Mo\n0.871086 0.371816 0.945225 Mo\n0.666357 0.895390 0.221616 Mo\n0.623038 0.872269 0.937820 Mo\n0.876962 0.872269 0.437820 Mo\n0.371086 0.628184 0.554775 Mo\n0.657764 0.396017 0.718009 Mo\n0.166357 0.104610 0.278384 Mo\n0.157764 0.603983 0.781991 Mo\n0.628914 0.371816 0.445225 Mo\n0.128914 0.628184 0.054775 Mo\n0.123038 0.127731 0.562180 Mo\n0.415280 0.628347 0.105225 P\n0.460798 0.104376 0.902396 P\n0.960798 0.895624 0.597604 P\n0.531949 0.392368 0.596941 P\n0.093822 0.130332 0.099689 P\n0.320706 0.609684 0.728480 P\n0.584720 0.371653 0.894775 P\n0.084720 0.628347 0.605225 P\n0.830769 0.890654 0.266398 P\n0.406178 0.130332 0.599689 P\n0.906178 0.869668 0.900311 P\n0.468051 0.607632 0.403059 P\n0.669231 0.890654 0.766398 P\n0.679294 0.390316 0.271520 P\n0.039202 0.104376 0.402396 P\n0.539202 0.895624 0.097604 P\n0.179294 0.609684 0.228480 P\n0.031949 0.607632 0.903059 P\n0.915280 0.371653 0.394775 P\n0.169231 0.109346 0.733602 P\n0.820706 0.390316 0.771520 P\n0.968051 0.392368 0.096941 P\n0.330769 0.109346 0.233602 P\n0.593822 0.869668 0.400311 P\n0.989926 0.928533 0.421590 O\n0.285452 0.653999 0.531668 O\n0.843970 0.209408 0.725676 O\n0.982294 0.429784 0.919110 O\n0.287285 0.096578 0.854706 O\n0.598942 0.870421 0.045452 O\n0.368708 0.308317 0.561240 O\n0.898491 0.066492 0.941248 O\n0.900609 0.400035 0.317510 O\n0.646150 0.084644 0.723633 O\n0.594393 0.564532 0.938357 O\n0.059733 0.592972 0.827460 O\n0.510266 0.823890 0.404851 O\n0.258098 0.610872 0.213135 O\n0.787285 0.903422 0.645294 O\n0.482294 0.570216 0.580890 O\n0.989734 0.823890 0.904851 O\n0.853850 0.084644 0.223633 O\n0.567725 0.914633 0.172483 O\n0.352255 0.290194 0.279406 O\n0.631292 0.691683 0.438760 O\n0.344384 0.417065 0.772588 O\n0.131292 0.308317 0.061240 O\n0.290131 0.155988 0.046196 O\n0.709869 0.844012 0.953804 O\n0.010266 0.176110 0.095149 O\n0.559733 0.407028 0.672540 O\n0.123385 0.806777 0.566805 O\n0.440267 0.592972 0.327460 O\n0.098942 0.129579 0.454548 O\n0.405607 0.435468 0.061643 O\n0.155616 0.417065 0.272588 O\n0.623422 0.875561 0.832759 O\n0.353850 0.915356 0.276367 O\n0.940267 0.407028 0.172540 O\n0.785452 0.346001 0.968332 O\n0.489734 0.176110 0.595149 O\n0.136651 0.624984 0.160876 O\n0.156030 0.790592 0.274324 O\n0.123422 0.124439 0.667241 O\n0.741902 0.389128 0.786865 O\n0.214548 0.653999 0.031668 O\n0.932275 0.914633 0.672483 O\n0.212715 0.096578 0.354706 O\n0.208221 0.597502 0.855607 O\n0.876615 0.193223 0.433195 O\n0.398491 0.933508 0.558752 O\n0.791779 0.402498 0.144393 O\n0.636651 0.375016 0.339124 O\n0.852255 0.709806 0.220594 O\n0.844384 0.582935 0.727412 O\n0.901058 0.870421 0.545452 O\n0.655616 0.582935 0.227412 O\n0.101509 0.933508 0.058752 O\n0.001866 0.676736 0.596547 O\n0.752821 0.889638 0.286130 O\n0.747179 0.889638 0.786130 O\n0.407505 0.628081 0.453504 O\n0.363349 0.624984 0.660876 O\n0.247179 0.110362 0.713870 O\n0.017706 0.570216 0.080890 O\n0.609716 0.897175 0.322127 O\n0.656030 0.209408 0.225676 O\n0.241902 0.610872 0.713135 O\n0.109716 0.102825 0.177873 O\n0.146150 0.915356 0.776367 O\n0.432275 0.085367 0.827517 O\n0.489926 0.071467 0.078410 O\n0.401058 0.129579 0.954548 O\n0.517706 0.429784 0.419110 O\n0.390284 0.102825 0.677873 O\n0.400609 0.599965 0.182490 O\n0.863349 0.375016 0.839124 O\n0.099391 0.599965 0.682490 O\n0.905607 0.564532 0.438357 O\n0.907505 0.371919 0.046496 O\n0.623385 0.193223 0.933195 O\n0.790131 0.844012 0.453804 O\n0.712715 0.903422 0.145294 O\n0.092495 0.628081 0.953504 O\n0.998134 0.323264 0.403453 O\n0.291779 0.597502 0.355607 O\n0.498134 0.676736 0.096547 O\n0.252821 0.110362 0.213870 O\n0.758098 0.389128 0.286865 O\n0.599391 0.400035 0.817510 O\n0.094393 0.435468 0.561643 O\n0.647745 0.709806 0.720594 O\n0.147745 0.290194 0.779406 O\n0.714548 0.346001 0.468332 O\n0.376615 0.806777 0.066805 O\n0.501866 0.323264 0.903453 O\n0.343970 0.790592 0.774324 O\n0.890284 0.897175 0.822127 O\n0.209869 0.155988 0.546196 O\n0.708221 0.402498 0.644393 O\n0.601509 0.066492 0.441248 O\n0.510074 0.928533 0.921590 O\n0.010074 0.071467 0.578410 O\n0.067725 0.085367 0.327517 O\n0.592495 0.371919 0.546496 O\n0.868708 0.691683 0.938760 O\n0.376578 0.124439 0.167241 O\n0.876578 0.875561 0.332759 O\n",
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{
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"structure_string": "Na2 H8 I2 O4\n1.0\n-6.055496 0.000000 0.000000\n3.024936 6.498053 0.000000\n-1.036144 -3.239870 -6.441589\nNa H I O\n2 8 2 4\ndirect\n0.325893 0.145210 0.481498 Na\n0.674107 0.854790 0.518502 Na\n0.595942 0.877790 0.155101 H\n0.404058 0.122210 0.844899 H\n0.788137 0.124517 0.286178 H\n0.211863 0.875483 0.713822 H\n0.955955 0.748382 0.149050 H\n0.044045 0.251618 0.850950 H\n0.034444 0.658030 0.276396 H\n0.965556 0.341970 0.723604 H\n0.234079 0.374460 0.219971 I\n0.765921 0.625540 0.780029 I\n0.626321 0.011575 0.293543 O\n0.373679 0.988425 0.706457 O\n0.993886 0.784346 0.291854 O\n0.006114 0.215654 0.708146 O\n",
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{
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"structure_string": "Li6 Cr2 Co4 O12\n1.0\n-0.015726 -1.591981 2.504385\n-3.484901 -4.145790 -2.415112\n8.377438 -8.131707 -4.833601\nLi Cr Co O\n6 2 4 12\ndirect\n0.498017 0.669183 0.165963 Li\n0.998299 0.169130 0.667251 Li\n0.491604 0.004803 0.496178 Li\n0.993469 0.501820 0.995944 Li\n0.000002 0.834689 0.336508 Li\n0.504180 0.332782 0.836323 Li\n0.498660 0.168656 0.165937 Cr\n0.001479 0.668297 0.666955 Cr\n0.509734 0.505986 0.497579 Co\n0.998815 0.001969 0.997850 Co\n0.490734 0.831725 0.835679 Co\n0.993927 0.334909 0.333853 Co\n0.540557 0.234335 0.003882 O\n0.004420 0.739836 0.503666 O\n0.455452 0.101626 0.328760 O\n0.998539 0.597237 0.829679 O\n0.981404 0.395697 0.175422 O\n0.487379 0.900078 0.672885 O\n0.009827 0.940152 0.156309 O\n0.514638 0.437602 0.661090 O\n0.532201 0.570209 0.337225 O\n0.984260 0.067179 0.841086 O\n0.005031 0.271541 0.491319 O\n0.454950 0.763408 0.995127 O\n",
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{
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{
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{
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"created_at": "2022-09-04T14:45:41.792249Z",
"structure_string": "Tc16 Br26 O4\n1.0\n7.856939 0.000000 0.000000\n0.000000 14.215545 0.000000\n-4.702443 0.000000 12.719811\nTc Br O\n16 26 4\ndirect\n0.126777 0.081460 0.464820 Tc\n0.126777 0.418540 0.964820 Tc\n0.873223 0.918540 0.535180 Tc\n0.873223 0.581460 0.035180 Tc\n0.841012 0.078364 0.449086 Tc\n0.841012 0.421636 0.949086 Tc\n0.158988 0.921636 0.550914 Tc\n0.158988 0.578364 0.050914 Tc\n0.219658 0.424075 0.181012 Tc\n0.219658 0.075925 0.681012 Tc\n0.780342 0.575925 0.818988 Tc\n0.780342 0.924075 0.318988 Tc\n0.931391 0.426297 0.161655 Tc\n0.931391 0.073703 0.661655 Tc\n0.068609 0.573703 0.838345 Tc\n0.068609 0.926297 0.338345 Tc\n0.266579 0.280146 0.084753 Br\n0.266579 0.219854 0.584753 Br\n0.733421 0.719854 0.915247 Br\n0.733421 0.780146 0.415247 Br\n0.798684 0.281308 0.052827 Br\n0.798684 0.218692 0.552827 Br\n0.201316 0.718692 0.947173 Br\n0.201316 0.781308 0.447173 Br\n0.654428 0.085420 0.255282 Br\n0.654428 0.414580 0.755282 Br\n0.345572 0.914580 0.744718 Br\n0.345572 0.585420 0.244718 Br\n0.114953 0.089136 0.274684 Br\n0.114953 0.410864 0.774684 Br\n0.885047 0.910864 0.725316 Br\n0.885047 0.589136 0.225316 Br\n0.391889 0.355723 0.356473 Br\n0.391889 0.144277 0.856473 Br\n0.608111 0.644277 0.643527 Br\n0.608111 0.855723 0.143527 Br\n0.874846 0.349341 0.311651 Br\n0.874846 0.150659 0.811651 Br\n0.125154 0.650659 0.688349 Br\n0.125154 0.849341 0.188349 Br\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.500000 Br\n0.916825 0.997721 0.988570 O\n0.916825 0.502279 0.488570 O\n0.083175 0.002279 0.011430 O\n0.083175 0.497721 0.511430 O\n",
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"formula_full": "Tc16 Br26 O4",
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{
"id": "mp-985294",
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"structure_string": "Ac6 Er2\n1.0\n3.908418 -6.769579 0.000000\n3.908418 6.769579 0.000000\n0.000000 0.000000 6.258408\nAc Er\n6 2\ndirect\n0.169628 0.339256 0.250000 Ac\n0.660744 0.830372 0.250000 Ac\n0.169628 0.830372 0.250000 Ac\n0.830372 0.660744 0.750000 Ac\n0.339256 0.169628 0.750000 Ac\n0.830372 0.169628 0.750000 Ac\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
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{
"id": "mp-1235542",
"created_at": "2022-09-04T14:45:42.093001Z",
"structure_string": "Li1 Fe6 O4 F8\n1.0\n-5.152725 5.023576 3.082510\n-0.167787 4.873511 -3.107285\n-4.975617 0.176182 -3.089438\nLi Fe O F\n1 6 4 8\ndirect\n0.177985 0.323040 0.825241 Li\n0.841456 0.629163 0.668721 Fe\n0.668439 0.347248 0.314807 Fe\n0.345695 0.713446 0.636139 Fe\n0.153423 0.325728 0.352208 Fe\n0.513215 0.974382 0.015700 Fe\n0.989342 0.959631 0.015278 Fe\n0.332195 0.994494 0.336483 O\n0.668607 0.641244 0.011763 O\n0.999296 0.274131 0.705058 O\n0.003321 0.675207 0.320373 O\n0.677917 0.036010 0.629802 F\n0.341076 0.388458 0.955633 F\n0.313174 0.949912 0.878542 F\n0.985114 0.244262 0.200374 F\n0.641185 0.568465 0.565498 F\n0.044486 0.711416 0.775699 F\n0.356809 0.416819 0.467084 F\n0.688934 0.097773 0.096434 F\n",
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]
}