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{
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{
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{
"id": "mp-752550",
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"structure_string": "Li12 Ni4 O4 F12\n1.0\n-0.000001 -2.057319 -2.057326\n16.635311 2.057315 -2.057307\n-0.000001 -4.114620 4.114634\nLi Ni O F\n12 4 4 12\ndirect\n0.000070 0.250000 0.624964 Li\n0.000070 0.750000 0.874964 Li\n0.000070 0.250000 0.124964 Li\n0.000070 0.750000 0.374964 Li\n0.500055 0.125703 0.312823 Li\n0.500055 0.625703 0.562823 Li\n0.500055 0.125703 0.812823 Li\n0.500055 0.625703 0.062823 Li\n0.500054 0.374296 0.437120 Li\n0.500054 0.874296 0.687120 Li\n0.500054 0.374296 0.937120 Li\n0.500054 0.874296 0.187120 Li\n0.999790 0.000002 0.000111 Ni\n0.999790 0.500002 0.250111 Ni\n0.999790 0.000002 0.500111 Ni\n0.999790 0.500002 0.750111 Ni\n0.499887 0.500000 0.500058 O\n0.499887 0.000000 0.750058 O\n0.499887 0.500000 0.000058 O\n0.499887 0.000000 0.250058 O\n0.500026 0.249999 0.374986 F\n0.500026 0.749999 0.624986 F\n0.500026 0.249999 0.874986 F\n0.500026 0.749999 0.124986 F\n0.000061 0.129881 0.564909 F\n0.000061 0.629881 0.814909 F\n0.000061 0.129881 0.064909 F\n0.000061 0.629881 0.314909 F\n0.000057 0.370118 0.685028 F\n0.000057 0.870118 0.935028 F\n0.000057 0.370118 0.185028 F\n0.000057 0.870118 0.435028 F\n",
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},
{
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"created_at": "2022-09-04T14:41:48.167427Z",
"structure_string": "Na4 Se2 O10\n1.0\n3.167460 -5.406458 0.000000\n3.167460 5.406458 0.000000\n0.000000 0.000000 7.883614\nNa Se O\n4 2 10\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.347956 0.652044 0.750000 Na\n0.652044 0.347956 0.250000 Na\n0.777449 0.222551 0.750000 Se\n0.222551 0.777449 0.250000 Se\n0.067825 0.932175 0.250000 O\n0.932175 0.067825 0.750000 O\n0.575242 0.968238 0.945239 O\n0.968238 0.575242 0.054761 O\n0.575242 0.968238 0.554761 O\n0.968238 0.575242 0.445239 O\n0.424758 0.031762 0.054761 O\n0.031762 0.424758 0.945239 O\n0.424758 0.031762 0.445239 O\n0.031762 0.424758 0.554761 O\n",
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"formula_full": "Na4 Se2 O10",
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{
"id": "mp-572970",
"created_at": "2022-09-04T14:41:33.597927Z",
"structure_string": "W8 S8 Cl32\n1.0\n13.637977 0.000000 0.000000\n0.000000 9.605947 0.000000\n0.000000 4.992363 12.491081\nW S Cl\n8 8 32\ndirect\n0.913301 0.629286 0.662434 W\n0.413301 0.370714 0.837566 W\n0.360237 0.955631 0.415789 W\n0.639763 0.044369 0.584211 W\n0.086699 0.370714 0.337566 W\n0.139763 0.955631 0.915789 W\n0.586699 0.629286 0.162434 W\n0.860237 0.044369 0.084211 W\n0.539430 0.494156 0.767709 S\n0.786293 0.010779 0.228244 S\n0.039430 0.505844 0.732291 S\n0.213707 0.989221 0.771756 S\n0.460570 0.505844 0.232291 S\n0.286293 0.989221 0.271756 S\n0.713707 0.010779 0.728244 S\n0.960570 0.494156 0.267709 S\n0.048308 0.129978 0.353775 Cl\n0.058215 0.293313 0.518957 Cl\n0.555742 0.263972 0.549946 Cl\n0.951692 0.870022 0.646225 Cl\n0.944258 0.263972 0.049946 Cl\n0.308998 0.547187 0.858111 Cl\n0.441785 0.293313 0.018957 Cl\n0.507994 0.080105 0.354793 Cl\n0.558215 0.706687 0.981043 Cl\n0.818282 0.615899 0.807487 Cl\n0.749262 0.177237 0.955767 Cl\n0.318282 0.384101 0.692513 Cl\n0.191002 0.547187 0.358111 Cl\n0.683862 0.836667 0.546232 Cl\n0.681718 0.615899 0.307487 Cl\n0.444258 0.736028 0.450054 Cl\n0.250738 0.822763 0.044233 Cl\n0.249262 0.822763 0.544233 Cl\n0.816138 0.836667 0.046232 Cl\n0.451692 0.129978 0.853775 Cl\n0.055742 0.736028 0.950054 Cl\n0.992006 0.080105 0.854793 Cl\n0.691002 0.452813 0.141889 Cl\n0.492006 0.919895 0.645207 Cl\n0.548308 0.870022 0.146225 Cl\n0.750738 0.177237 0.455767 Cl\n0.183862 0.163333 0.953768 Cl\n0.316138 0.163333 0.453768 Cl\n0.181718 0.384101 0.192513 Cl\n0.941785 0.706687 0.481043 Cl\n0.007994 0.919895 0.145207 Cl\n0.808998 0.452813 0.641889 Cl\n",
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{
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"structure_string": "Na8 Zr4 F24\n1.0\n5.500837 0.000000 0.000000\n0.000000 5.656831 0.000000\n0.000000 1.702308 16.276785\nNa Zr F\n8 4 24\ndirect\n0.501761 0.326586 0.591959 Na\n0.001761 0.673414 0.908041 Na\n0.498239 0.673414 0.408041 Na\n0.998239 0.326586 0.091959 Na\n0.462396 0.243654 0.252823 Na\n0.962396 0.756346 0.247177 Na\n0.537604 0.756346 0.747177 Na\n0.037604 0.243654 0.752823 Na\n0.551737 0.175972 0.901091 Zr\n0.051737 0.824028 0.598909 Zr\n0.448263 0.824028 0.098909 Zr\n0.948263 0.175972 0.401091 Zr\n0.828603 0.869633 0.488391 F\n0.328603 0.130367 0.011609 F\n0.171397 0.130367 0.511609 F\n0.671397 0.869633 0.988391 F\n0.781675 0.430243 0.316936 F\n0.281675 0.569757 0.183064 F\n0.218325 0.569757 0.683064 F\n0.718325 0.430243 0.816936 F\n0.729256 0.602210 0.135492 F\n0.229256 0.397790 0.364508 F\n0.270744 0.397790 0.864508 F\n0.770744 0.602210 0.635492 F\n0.289553 0.019424 0.664907 F\n0.789553 0.980576 0.835093 F\n0.710447 0.980576 0.335093 F\n0.210447 0.019424 0.164907 F\n0.819263 0.058004 0.649929 F\n0.319263 0.941996 0.850071 F\n0.180737 0.941996 0.350071 F\n0.680737 0.058004 0.149929 F\n0.775444 0.345804 0.975391 F\n0.275444 0.654196 0.524609 F\n0.224556 0.654196 0.024609 F\n0.724556 0.345804 0.475391 F\n",
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{
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"structure_string": "Ba24 Ti12 O48\n1.0\n6.209267 0.000000 0.000000\n0.000000 10.693163 0.000000\n0.000000 0.000000 23.328577\nBa Ti O\n24 12 48\ndirect\n0.236931 0.578282 0.110292 Ba\n0.261851 0.201216 0.164461 Ba\n0.761851 0.798784 0.835539 Ba\n0.714659 0.428476 0.555139 Ba\n0.760002 0.073484 0.720115 Ba\n0.712570 0.799813 0.502370 Ba\n0.236931 0.921718 0.610292 Ba\n0.747987 0.801735 0.169737 Ba\n0.712570 0.700187 0.002370 Ba\n0.736931 0.078282 0.389708 Ba\n0.747987 0.698265 0.669737 Ba\n0.261851 0.298784 0.664461 Ba\n0.214659 0.571524 0.444861 Ba\n0.760002 0.426516 0.220115 Ba\n0.761851 0.701216 0.335539 Ba\n0.736931 0.421718 0.889708 Ba\n0.212570 0.200187 0.497630 Ba\n0.714659 0.071524 0.055139 Ba\n0.247987 0.198265 0.830263 Ba\n0.247987 0.301735 0.330263 Ba\n0.214659 0.928476 0.944861 Ba\n0.212570 0.299813 0.997630 Ba\n0.260002 0.573484 0.779885 Ba\n0.260002 0.926516 0.279885 Ba\n0.244685 0.585592 0.927476 Ti\n0.720011 0.085686 0.905299 Ti\n0.251596 0.913017 0.759510 Ti\n0.744685 0.414408 0.072524 Ti\n0.244685 0.914408 0.427476 Ti\n0.220011 0.914314 0.094701 Ti\n0.220011 0.585686 0.594701 Ti\n0.744685 0.085592 0.572524 Ti\n0.720011 0.414314 0.405299 Ti\n0.251596 0.586983 0.259510 Ti\n0.751596 0.413017 0.740490 Ti\n0.751596 0.086983 0.240490 Ti\n0.485836 0.648432 0.575305 O\n0.963297 0.204871 0.251289 O\n0.463297 0.795129 0.748711 O\n0.530509 0.203149 0.580676 O\n0.173349 0.061054 0.390285 O\n0.181205 0.436735 0.555413 O\n0.191543 0.560618 0.334699 O\n0.316382 0.554491 0.001722 O\n0.816382 0.445509 0.998278 O\n0.997599 0.639881 0.227013 O\n0.320118 0.061441 0.723002 O\n0.816382 0.054491 0.498278 O\n0.173349 0.438946 0.890285 O\n0.995237 0.140565 0.606457 O\n0.011423 0.697791 0.573641 O\n0.690911 0.444782 0.329395 O\n0.463297 0.704871 0.248711 O\n0.997599 0.860119 0.727013 O\n0.681205 0.936735 0.944587 O\n0.963297 0.295129 0.751289 O\n0.191543 0.939382 0.834699 O\n0.530509 0.296851 0.080676 O\n0.820118 0.938559 0.276998 O\n0.985836 0.351568 0.424695 O\n0.690911 0.055218 0.829395 O\n0.497599 0.360119 0.772987 O\n0.190911 0.555218 0.670605 O\n0.673349 0.938946 0.609715 O\n0.495237 0.640565 0.893543 O\n0.320118 0.438559 0.223002 O\n0.030509 0.703149 0.919324 O\n0.673349 0.561054 0.109715 O\n0.181205 0.063265 0.055413 O\n0.030509 0.796851 0.419324 O\n0.190911 0.944782 0.170605 O\n0.691543 0.060618 0.165301 O\n0.691543 0.439382 0.665301 O\n0.681205 0.563265 0.444587 O\n0.985836 0.148432 0.924695 O\n0.316382 0.945509 0.501722 O\n0.995237 0.359435 0.106457 O\n0.011423 0.802209 0.073641 O\n0.820118 0.561441 0.776998 O\n0.497599 0.139881 0.272987 O\n0.495237 0.859435 0.393543 O\n0.485836 0.851568 0.075305 O\n0.511423 0.197791 0.926359 O\n0.511423 0.302209 0.426359 O\n",
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{
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