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{
"id": "mp-676200",
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"structure_string": "Eu2 Er4 S8\n1.0\n-4.210683 4.210683 4.184274\n4.210683 -4.210683 4.184274\n4.210683 4.210683 -4.184274\nEu Er S\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.002036 0.375000 0.127036 Er\n0.247964 0.875000 0.872964 Er\n0.625000 0.752036 0.627036 Er\n0.125000 0.997964 0.372964 Er\n0.889076 0.636660 0.402489 S\n0.360924 0.263413 0.247585 S\n0.234172 0.486587 0.597511 S\n0.886660 0.639076 0.902489 S\n0.363340 0.765828 0.252415 S\n0.513413 0.110924 0.747585 S\n0.736587 0.984172 0.097511 S\n0.015828 0.113340 0.752415 S\n",
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{
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"structure_string": "Li2 Mn2 P2 H2 O10\n1.0\n5.209916 0.000000 0.000000\n-0.885712 5.344541 0.000000\n-1.817177 -2.921995 6.556410\nLi Mn P H O\n2 2 2 2 10\ndirect\n0.252357 0.603638 0.824966 Li\n0.747643 0.396362 0.175034 Li\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.316463 0.629000 0.236515 P\n0.683537 0.371000 0.763485 P\n0.641344 0.937931 0.325491 H\n0.358656 0.062069 0.674509 H\n0.159216 0.949448 0.738036 O\n0.271222 0.785746 0.385517 O\n0.697259 0.668071 0.654840 O\n0.628539 0.738465 0.076755 O\n0.111760 0.642107 0.128324 O\n0.888240 0.357893 0.871676 O\n0.371461 0.261535 0.923245 O\n0.302741 0.331929 0.345160 O\n0.728778 0.214254 0.614483 O\n0.840784 0.050552 0.261964 O\n",
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"formula_full": "Li2 Mn2 P2 H2 O10",
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},
{
"id": "mp-690534",
"created_at": "2022-09-04T14:41:22.316531Z",
"structure_string": "K6 Fe2 F6\n1.0\n5.942132 0.000000 0.000000\n2.634828 5.584152 0.000000\n1.954759 0.636530 9.871195\nK Fe F\n6 2 6\ndirect\n0.653890 0.605598 0.122504 K\n0.133716 0.134487 0.621526 K\n0.266556 0.242663 0.247099 K\n0.766397 0.743482 0.751249 K\n0.876959 0.878298 0.377850 K\n0.381299 0.370806 0.864963 K\n0.052719 0.977238 0.988054 Fe\n0.544196 0.491341 0.490927 Fe\n0.132843 0.635202 0.093632 F\n0.652919 0.159557 0.619963 F\n0.715339 0.088852 0.131118 F\n0.391031 0.850454 0.404604 F\n0.176976 0.553868 0.596141 F\n0.905162 0.338154 0.900371 F\n",
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"elements": [
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"density": 2.3334189236740235,
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"formula_full": "K6 Fe2 F6",
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{
"id": "mp-1202551",
"created_at": "2022-09-04T14:41:22.326949Z",
"structure_string": "Cu8 As8 H24 O40\n1.0\n6.514062 0.000000 0.000000\n0.716373 8.173204 0.000000\n1.427699 0.969574 15.839005\nCu As H O\n8 8 24 40\ndirect\n0.634257 0.637388 0.959042 Cu\n0.365743 0.362612 0.040958 Cu\n0.111963 0.143496 0.550077 Cu\n0.888037 0.856504 0.449923 Cu\n0.617939 0.590337 0.559783 Cu\n0.382061 0.409663 0.440217 Cu\n0.142425 0.085848 0.933156 Cu\n0.857575 0.914152 0.066844 Cu\n0.091046 0.555686 0.601263 As\n0.908954 0.444314 0.398737 As\n0.134320 0.635222 0.910764 As\n0.865680 0.364778 0.089236 As\n0.608841 0.143624 0.593884 As\n0.391159 0.856376 0.406116 As\n0.641632 0.027197 0.896997 As\n0.358368 0.972803 0.103003 As\n0.112015 0.624464 0.739420 H\n0.887985 0.375536 0.260580 H\n0.362023 0.824599 0.862229 H\n0.637977 0.175401 0.137771 H\n0.801995 0.339906 0.643098 H\n0.198005 0.660094 0.356902 H\n0.648439 0.075083 0.751437 H\n0.351561 0.924917 0.248563 H\n0.653256 0.389177 0.799709 H\n0.346744 0.610823 0.200291 H\n0.830359 0.500151 0.814012 H\n0.169641 0.499849 0.185988 H\n0.096209 0.898693 0.665623 H\n0.903791 0.101307 0.334377 H\n0.269759 0.013630 0.679762 H\n0.730241 0.986370 0.320238 H\n0.614942 0.623256 0.720845 H\n0.385058 0.376744 0.279155 H\n0.574213 0.805921 0.672499 H\n0.425787 0.194079 0.327501 H\n0.032168 0.170639 0.786662 H\n0.967832 0.829361 0.213338 H\n0.132379 0.320749 0.823119 H\n0.867621 0.679251 0.176881 H\n0.026678 0.370793 0.644101 O\n0.973322 0.629207 0.355899 O\n0.904105 0.656957 0.540753 O\n0.095895 0.343043 0.459247 O\n0.325751 0.551682 0.540750 O\n0.674249 0.448318 0.459250 O\n0.092388 0.519575 0.829907 O\n0.907612 0.480425 0.170093 O\n0.918250 0.676184 0.978279 O\n0.081750 0.323816 0.021721 O\n0.344460 0.567813 0.967848 O\n0.655540 0.432187 0.032152 O\n0.407579 0.179675 0.530744 O\n0.592421 0.820325 0.469256 O\n0.833805 0.082944 0.535327 O\n0.166195 0.917056 0.464673 O\n0.546550 0.011214 0.678986 O\n0.453450 0.988786 0.321014 O\n0.597703 0.829237 0.877138 O\n0.402297 0.170763 0.122862 O\n0.427463 0.139351 0.939767 O\n0.572537 0.860649 0.060233 O\n0.844079 0.048966 0.957663 O\n0.155921 0.951034 0.042337 O\n0.097018 0.688778 0.682913 O\n0.902982 0.311222 0.317087 O\n0.204931 0.824407 0.861971 O\n0.795069 0.175593 0.138029 O\n0.645198 0.329247 0.639064 O\n0.354802 0.670753 0.360936 O\n0.720507 0.123682 0.799360 O\n0.279493 0.876318 0.200640 O\n0.679844 0.502753 0.807370 O\n0.320156 0.497247 0.192630 O\n0.125188 0.016031 0.663339 O\n0.874812 0.983969 0.336661 O\n0.559085 0.685663 0.670162 O\n0.440915 0.314337 0.329838 O\n0.142823 0.197803 0.820162 O\n0.857177 0.802197 0.179838 O\n",
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"density_atomic": 0.09486758921952466,
"volume": 843.2806257454176,
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"formula_full": "Cu8 As8 H24 O40",
"formula_reduced": "CuAsH3O5",
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},
{
"id": "mp-780530",
"created_at": "2022-09-04T14:41:22.198112Z",
"structure_string": "Na4 Mn2 P2 C2 O14\n1.0\n6.640821 0.000000 0.000000\n0.000000 5.234384 0.000000\n0.000000 0.198073 9.002969\nNa Mn P C O\n4 2 2 2 14\ndirect\n0.506103 0.767625 0.765481 Na\n0.993897 0.767625 0.765481 Na\n0.493897 0.232375 0.234519 Na\n0.006103 0.232375 0.234519 Na\n0.250000 0.223733 0.641932 Mn\n0.750000 0.776267 0.358068 Mn\n0.750000 0.293414 0.574864 P\n0.250000 0.706586 0.425136 P\n0.250000 0.280071 0.921077 C\n0.750000 0.719929 0.078923 C\n0.750000 0.724745 0.939889 O\n0.250000 0.064519 0.845001 O\n0.250000 0.483183 0.836055 O\n0.938635 0.216142 0.665691 O\n0.561365 0.216142 0.665691 O\n0.250000 0.830502 0.579366 O\n0.750000 0.595272 0.551810 O\n0.250000 0.404728 0.448190 O\n0.750000 0.169498 0.420634 O\n0.438635 0.783858 0.334309 O\n0.061365 0.783858 0.334309 O\n0.750000 0.516817 0.163945 O\n0.750000 0.935481 0.154999 O\n0.250000 0.275255 0.060111 O\n",
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{
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"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n7.277619 2.575772 0.000000\n-7.277619 2.575772 0.000000\n0.000000 1.877374 4.831039\nLi Ti Ni O\n4 2 4 10\ndirect\n0.301518 0.698482 0.000000 Li\n0.201750 0.798250 0.500000 Li\n0.897488 0.102512 0.000000 Li\n0.599785 0.400215 0.500000 Li\n0.099797 0.900203 0.000000 Ti\n0.799047 0.200953 0.500000 Ti\n0.400000 0.600000 0.500000 Ni\n0.701553 0.298447 0.000000 Ni\n0.496117 0.503883 0.000000 Ni\n0.000995 0.999005 0.500000 Ni\n0.648509 0.854536 0.735142 O\n0.572341 0.972463 0.273477 O\n0.862981 0.665965 0.771610 O\n0.027537 0.427659 0.726523 O\n0.145464 0.351491 0.264858 O\n0.764302 0.753476 0.241443 O\n0.948510 0.548240 0.244182 O\n0.246524 0.235698 0.758557 O\n0.451760 0.051490 0.755818 O\n0.334035 0.137019 0.228390 O\n",
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{
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{
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"structure_string": "Rb2 Tl1 V1 F6\n1.0\n6.542626 0.000000 0.000000\n3.271313 5.666081 0.000000\n3.271313 1.888693 5.342032\nRb Tl V F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n0.212211 0.787789 0.212211 F\n0.787789 0.787789 0.212211 F\n0.787789 0.212211 0.787789 F\n0.787789 0.212211 0.212211 F\n0.212211 0.787789 0.787789 F\n0.212211 0.212211 0.787789 F\n",
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{
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{
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{
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{
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}