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{
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"structure_string": "Mn4 Zn4 P8 O28\n1.0\n8.573073 0.000000 0.000000\n0.000000 7.126499 0.000000\n0.000000 3.552466 8.527749\nMn Zn P O\n4 4 8 28\ndirect\n0.069476 0.763440 0.608796 Mn\n0.930524 0.236560 0.391204 Mn\n0.569476 0.236560 0.891204 Mn\n0.430524 0.763440 0.108796 Mn\n0.941230 0.301063 0.816794 Zn\n0.441230 0.698937 0.683206 Zn\n0.558770 0.301063 0.316794 Zn\n0.058770 0.698937 0.183206 Zn\n0.735013 0.937542 0.242837 P\n0.223288 0.466963 0.969588 P\n0.764987 0.937542 0.742837 P\n0.276712 0.466963 0.469588 P\n0.235013 0.062458 0.257163 P\n0.723288 0.533037 0.530412 P\n0.776712 0.533037 0.030412 P\n0.264987 0.062458 0.757163 P\n0.178219 0.251158 0.100946 O\n0.609153 0.888338 0.690162 O\n0.890847 0.888338 0.190162 O\n0.383881 0.454293 0.897729 O\n0.821781 0.748842 0.899054 O\n0.102950 0.029913 0.377200 O\n0.616119 0.545707 0.102271 O\n0.090352 0.508118 0.849747 O\n0.271275 0.622735 0.548049 O\n0.897050 0.970087 0.622800 O\n0.397050 0.029913 0.877200 O\n0.760269 0.117514 0.796792 O\n0.260269 0.882486 0.703208 O\n0.321781 0.251158 0.600946 O\n0.602950 0.970087 0.122800 O\n0.109153 0.111662 0.809838 O\n0.239731 0.882486 0.203208 O\n0.909648 0.491882 0.150253 O\n0.228725 0.622735 0.048049 O\n0.771275 0.377265 0.951951 O\n0.883881 0.545707 0.602271 O\n0.409648 0.508118 0.349747 O\n0.590352 0.491882 0.650253 O\n0.390847 0.111662 0.309838 O\n0.739731 0.117514 0.296792 O\n0.116119 0.454293 0.397729 O\n0.728725 0.377265 0.451951 O\n0.678219 0.748842 0.399054 O\n",
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{
"id": "mp-569511",
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"structure_string": "Ni4 Te4 Pd4\n1.0\n3.814486 0.000000 0.000000\n0.000000 6.345893 0.000000\n0.000000 0.000000 8.426073\nNi Te Pd\n4 4 4\ndirect\n0.750000 0.989423 0.395034 Ni\n0.250000 0.489423 0.104966 Ni\n0.750000 0.510577 0.895034 Ni\n0.250000 0.010577 0.604966 Ni\n0.750000 0.739890 0.156790 Te\n0.250000 0.260110 0.843210 Te\n0.750000 0.760110 0.656790 Te\n0.250000 0.239890 0.343210 Te\n0.750000 0.346260 0.585738 Pd\n0.750000 0.153740 0.085738 Pd\n0.250000 0.653740 0.414262 Pd\n0.250000 0.846260 0.914262 Pd\n",
"nsites": 12,
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"formula_full": "Ni4 Te4 Pd4",
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{
"id": "mp-1183768",
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"structure_string": "Ce1 Nd1 Hg2\n1.0\n0.000000 3.795879 3.795879\n3.795879 0.000000 3.795879\n3.795879 3.795879 0.000000\nCe Nd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"formula_full": "Ce1 Nd1 Hg2",
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{
"id": "mp-1278326",
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"structure_string": "Li8 Ti4 V4 O16\n1.0\n5.187851 -0.203077 -0.001141\n-0.538348 -7.226198 2.922373\n-2.086446 -4.749446 -5.843255\nLi Ti V O\n8 4 4 16\ndirect\n0.309955 0.376145 0.436478 Li\n0.558144 0.875979 0.188563 Li\n0.060584 0.877559 0.687241 Li\n0.814527 0.373004 0.938918 Li\n0.877908 0.248667 0.626742 Li\n0.126325 0.749296 0.375969 Li\n0.623689 0.751994 0.873541 Li\n0.375744 0.248692 0.123097 Li\n0.683385 0.626850 0.566128 Ti\n0.943655 0.118621 0.312196 Ti\n0.438604 0.124887 0.811889 Ti\n0.186027 0.627925 0.058775 Ti\n0.500008 0.003573 0.499460 V\n0.749100 0.498731 0.252004 V\n0.249654 0.501421 0.749220 V\n0.995928 0.997275 0.002221 V\n0.395985 0.743384 0.619195 O\n0.652322 0.248259 0.366409 O\n0.150530 0.238916 0.870290 O\n0.892633 0.733161 0.125254 O\n0.972030 0.509664 0.497996 O\n0.233005 0.007809 0.253318 O\n0.729638 0.007559 0.754263 O\n0.484085 0.508985 0.010682 O\n0.559979 0.375802 0.689172 O\n0.811705 0.878062 0.437688 O\n0.308590 0.875757 0.937274 O\n0.055871 0.376352 0.188280 O\n0.441894 0.623292 0.311580 O\n0.689751 0.122960 0.062921 O\n0.189983 0.124490 0.561316 O\n0.938761 0.624932 0.811919 O\n",
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{
"id": "mp-759456",
"created_at": "2022-09-04T14:40:08.859507Z",
"structure_string": "Li9 Fe4 B8 O24\n1.0\n8.305932 0.000000 0.000000\n2.235262 8.050358 0.000000\n3.283225 2.487216 7.818087\nLi Fe B O\n9 4 8 24\ndirect\n0.600119 0.762920 0.893826 Li\n0.246231 0.929997 0.416879 Li\n0.895946 0.737383 0.102676 Li\n0.243299 0.578747 0.580863 Li\n0.749734 0.430068 0.418588 Li\n0.444771 0.272716 0.760539 Li\n0.094163 0.265286 0.900537 Li\n0.760092 0.069762 0.577471 Li\n0.400287 0.233273 0.124730 Li\n0.254248 0.905741 0.779316 Fe\n0.758616 0.408694 0.775997 Fe\n0.241720 0.589246 0.224036 Fe\n0.743679 0.090977 0.223510 Fe\n0.965869 0.800206 0.398374 B\n0.529649 0.699312 0.599659 B\n0.305004 0.955283 0.058998 B\n0.210108 0.540768 0.930770 B\n0.795572 0.452497 0.066321 B\n0.695886 0.051440 0.930823 B\n0.465967 0.300899 0.414257 B\n0.033472 0.201034 0.601655 B\n0.708340 0.962792 0.826912 O\n0.824026 0.934196 0.406275 O\n0.489702 0.792149 0.714575 O\n0.761077 0.973948 0.070092 O\n0.127809 0.715667 0.905272 O\n0.736988 0.533938 0.923106 O\n0.425832 0.740507 0.499174 O\n0.071059 0.766300 0.495697 O\n0.667168 0.561157 0.597405 O\n0.370136 0.777897 0.085636 O\n0.238413 0.449588 0.822053 O\n0.005225 0.706574 0.284223 O\n0.993970 0.292771 0.718467 O\n0.780826 0.537976 0.173640 O\n0.612777 0.227939 0.900648 O\n0.927545 0.241108 0.503457 O\n0.325182 0.437901 0.408216 O\n0.555265 0.263012 0.527665 O\n0.262504 0.461577 0.078491 O\n0.875088 0.277571 0.090803 O\n0.258048 0.046337 0.908288 O\n0.514053 0.209657 0.294875 O\n0.172691 0.064486 0.596274 O\n0.292241 0.038219 0.167847 O\n",
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],
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"formula_full": "Li9 Fe4 B8 O24",
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{
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"structure_string": "Li18 Mn6 F36\n1.0\n4.359618 7.372903 0.000000\n-4.359618 7.372903 0.000000\n0.000000 1.359781 10.305092\nLi Mn F\n18 6 36\ndirect\n0.942606 0.658827 0.930575 Li\n0.658827 0.942606 0.430575 Li\n0.475749 0.858095 0.951530 Li\n0.858095 0.475749 0.451530 Li\n0.992040 0.285902 0.722312 Li\n0.285902 0.992040 0.222312 Li\n0.670893 0.379992 0.967043 Li\n0.379992 0.670893 0.467043 Li\n0.197725 0.802275 0.750000 Li\n0.802275 0.197725 0.250000 Li\n0.620008 0.329107 0.532957 Li\n0.329107 0.620008 0.032957 Li\n0.714098 0.007960 0.777688 Li\n0.007960 0.714098 0.277688 Li\n0.141905 0.524251 0.548470 Li\n0.524251 0.141905 0.048470 Li\n0.341173 0.057394 0.569425 Li\n0.057394 0.341173 0.069425 Li\n0.663351 0.666539 0.703094 Mn\n0.666539 0.663351 0.203094 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333461 0.336649 0.796906 Mn\n0.336649 0.333461 0.296906 Mn\n0.933715 0.925329 0.663676 F\n0.925329 0.933715 0.163676 F\n0.732155 0.782778 0.845699 F\n0.586095 0.893612 0.607642 F\n0.782778 0.732155 0.345699 F\n0.891251 0.574228 0.611066 F\n0.893612 0.586095 0.107642 F\n0.574228 0.891251 0.111066 F\n0.758817 0.444282 0.802714 F\n0.440042 0.753417 0.800725 F\n0.444282 0.758817 0.302714 F\n0.753417 0.440042 0.300725 F\n0.599670 0.561602 0.554822 F\n0.914279 0.236688 0.560219 F\n0.252901 0.893318 0.570110 F\n0.561602 0.599670 0.054822 F\n0.236688 0.914279 0.060220 F\n0.893318 0.252901 0.070110 F\n0.106682 0.747099 0.929890 F\n0.763312 0.085721 0.939781 F\n0.438398 0.400330 0.945178 F\n0.747099 0.106682 0.429890 F\n0.085721 0.763312 0.439781 F\n0.400330 0.438398 0.445178 F\n0.246583 0.559958 0.699275 F\n0.555718 0.241183 0.697286 F\n0.559958 0.246583 0.199275 F\n0.241183 0.555718 0.197286 F\n0.425772 0.108749 0.888934 F\n0.106388 0.413905 0.892358 F\n0.108749 0.425772 0.388934 F\n0.217222 0.267845 0.654301 F\n0.413905 0.106388 0.392358 F\n0.267845 0.217222 0.154301 F\n0.074671 0.066285 0.836324 F\n0.066285 0.074671 0.336324 F\n",
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{
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"structure_string": "Zn2 W4 O8\n1.0\n1.583098 -5.241284 0.000000\n1.583098 5.241284 0.000000\n0.000000 0.000000 10.344512\nZn W O\n2 4 8\ndirect\n0.610512 0.389488 0.750000 Zn\n0.389488 0.610512 0.250000 Zn\n0.130769 0.869231 0.073489 W\n0.869231 0.130769 0.926511 W\n0.130769 0.869231 0.426511 W\n0.869231 0.130769 0.573489 W\n0.767661 0.232339 0.387221 O\n0.232339 0.767661 0.612779 O\n0.232339 0.767661 0.887221 O\n0.767661 0.232339 0.112779 O\n0.015256 0.984744 0.250000 O\n0.984744 0.015256 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
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{
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"formula_full": "Pr4 Ge10 Ru6",
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},
{
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"structure_string": "Cd2 C4 O8\n1.0\n5.411884 0.000000 0.000000\n0.000000 5.906103 0.000000\n0.000000 3.568556 5.526548\nCd C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.882351 0.455746 0.082166 C\n0.117649 0.544254 0.917834 C\n0.617649 0.455746 0.582166 C\n0.382351 0.544254 0.417834 C\n0.278663 0.374446 0.386213 O\n0.692759 0.213911 0.675165 O\n0.307241 0.786089 0.324835 O\n0.807241 0.213911 0.175165 O\n0.721337 0.625554 0.613787 O\n0.778663 0.625554 0.113787 O\n0.192759 0.786089 0.824835 O\n0.221337 0.374446 0.886213 O\n",
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{
"id": "mp-1175721",
"created_at": "2022-09-04T14:40:08.881226Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.912016 0.000000 0.000000\n-0.067941 5.114494 0.000000\n-0.880602 -1.462212 19.219533\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.500000 0.500000 Li\n0.995887 0.630728 0.378699 Li\n0.501371 0.744304 0.249080 Li\n0.999870 0.876118 0.125130 Li\n0.500000 0.000000 0.000000 Li\n0.000130 0.123882 0.874870 Li\n0.498629 0.255696 0.750920 Li\n0.004113 0.369272 0.621301 Li\n0.000000 0.000000 0.500000 Li\n0.505153 0.881037 0.621657 Mn\n0.494847 0.118963 0.378343 Mn\n0.988882 0.248213 0.250395 Co\n0.502388 0.369488 0.125943 Co\n0.000000 0.500000 0.000000 Co\n0.497612 0.630512 0.874057 Co\n0.011118 0.751787 0.749605 Co\n0.989515 0.706815 0.569773 O\n0.506299 0.834307 0.429765 O\n0.975342 0.968694 0.315996 O\n0.525001 0.075388 0.190858 O\n0.016702 0.203022 0.066140 O\n0.514907 0.329828 0.940386 O\n0.009001 0.461197 0.813392 O\n0.541557 0.590629 0.689346 O\n0.010485 0.293185 0.430227 O\n0.458443 0.409371 0.310654 O\n0.990999 0.538803 0.186608 O\n0.485093 0.670172 0.059614 O\n0.983298 0.796978 0.933860 O\n0.474999 0.924612 0.809142 O\n0.024658 0.031306 0.684004 O\n0.493701 0.165693 0.570235 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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},
{
"id": "mp-685056",
"created_at": "2022-09-04T14:40:08.886717Z",
"structure_string": "Cu9 S16\n1.0\n3.132861 0.000000 1.808758\n1.044287 2.953690 1.808758\n0.414128 0.292833 57.162975\nCu S\n9 16\ndirect\n0.499426 0.499426 0.093858 Cu\n0.247617 0.247617 0.516072 Cu\n0.756758 0.756758 0.608108 Cu\n0.748659 0.748659 0.672126 Cu\n0.748394 0.748394 0.734676 Cu\n0.748392 0.748392 0.797176 Cu\n0.748643 0.748643 0.859629 Cu\n0.748787 0.748787 0.922102 Cu\n0.743317 0.743317 0.985628 Cu\n0.995941 0.995941 0.000761 S\n0.970341 0.970341 0.068061 S\n0.026033 0.026033 0.120119 S\n0.993249 0.993249 0.188766 S\n0.999083 0.999083 0.250172 S\n0.998453 0.998453 0.375290 S\n0.009093 0.009093 0.435795 S\n0.001785 0.001785 0.312165 S\n0.004299 0.004299 0.499194 S\n0.002187 0.002187 0.562090 S\n0.002021 0.002021 0.687121 S\n0.001554 0.001554 0.749709 S\n0.003706 0.003706 0.624305 S\n0.001983 0.001983 0.812128 S\n0.001053 0.001053 0.874803 S\n0.999224 0.999224 0.937645 S\n",
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}
]
}