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{
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"structure_string": "Ba4 Y2 Ni6 O14\n1.0\n3.885043 4.025299 0.000002\n-3.884456 4.024726 -0.000005\n0.000018 0.000007 11.514647\nBa Y Ni O\n4 2 6 14\ndirect\n0.499999 0.000004 0.816173 Ba\n0.999999 0.500004 0.816175 Ba\n0.500004 0.000000 0.183792 Ba\n0.000003 0.499999 0.183791 Ba\n0.499997 0.999996 0.499966 Y\n0.999999 0.499999 0.499966 Y\n0.000002 0.000002 0.000009 Ni\n0.999998 0.999998 0.656778 Ni\n0.000001 0.000001 0.343186 Ni\n0.500003 0.500004 0.000013 Ni\n0.499997 0.499992 0.660795 Ni\n0.500000 0.500000 0.339233 Ni\n0.764668 0.764663 0.000004 O\n0.235335 0.235343 0.000005 O\n0.751006 0.248964 0.622545 O\n0.248989 0.751027 0.622544 O\n0.249006 0.751016 0.377523 O\n0.750994 0.248984 0.377522 O\n0.247920 0.247907 0.623707 O\n0.752075 0.752085 0.623707 O\n0.752038 0.752051 0.376290 O\n0.247963 0.247951 0.376289 O\n0.499996 0.500011 0.837242 O\n0.999997 0.000009 0.839220 O\n0.000009 0.999993 0.160781 O\n0.500007 0.499997 0.162744 O\n",
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{
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{
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{
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{
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{
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"formula_full": "Sr1 Hg2",
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},
{
"id": "mp-1202558",
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"structure_string": "Cu8 As6 Pb2 O24\n1.0\n-5.302813 0.007323 -0.000735\n-0.547793 8.545585 -0.047090\n0.022336 0.033288 -11.519880\nCu As Pb O\n8 6 2 24\ndirect\n0.272300 0.949799 0.976727 Cu\n0.727700 0.050201 0.023273 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.983375 0.705042 0.168705 Cu\n0.016625 0.294958 0.831295 Cu\n0.965746 0.081109 0.320459 Cu\n0.034254 0.918891 0.679541 Cu\n0.481574 0.902858 0.231938 As\n0.518426 0.097142 0.768062 As\n0.960719 0.729363 0.449205 As\n0.039281 0.270637 0.550795 As\n0.041360 0.339617 0.110594 As\n0.958640 0.660383 0.889406 As\n0.497497 0.459135 0.331147 Pb\n0.502503 0.540865 0.668853 Pb\n0.324778 0.974406 0.355665 O\n0.675222 0.025594 0.644335 O\n0.632873 0.718570 0.237014 O\n0.367127 0.281430 0.762986 O\n0.235494 0.894603 0.132907 O\n0.764506 0.105397 0.867093 O\n0.697123 0.036906 0.186492 O\n0.302877 0.963094 0.813508 O\n0.175144 0.751526 0.558896 O\n0.824856 0.248474 0.441104 O\n0.811435 0.918092 0.417276 O\n0.188565 0.081908 0.582724 O\n0.118217 0.659539 0.325498 O\n0.881783 0.340461 0.674502 O\n0.725891 0.609240 0.485852 O\n0.274109 0.390760 0.514148 O\n0.134195 0.242774 0.235853 O\n0.865805 0.757226 0.764146 O\n0.135943 0.233645 0.988622 O\n0.864057 0.766355 0.011378 O\n0.216086 0.508618 0.111755 O\n0.783914 0.491382 0.888245 O\n0.721419 0.395799 0.118473 O\n0.278581 0.604201 0.881527 O\n",
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"elements": [
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],
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"formula_full": "Cu8 As6 Pb2 O24",
"formula_reduced": "Cu4As3PbO12",
"formula_anonymous": "AB3C4D12",
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"updated_at": "2021-11-28T01:37:33.301000Z",
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},
{
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"created_at": "2022-09-04T14:46:15.765383Z",
"structure_string": "Cs6 Mg1 Np2 H16 O18\n1.0\n-0.169285 0.000000 8.095126\n-6.521781 6.069171 0.302760\n-6.521781 -6.069171 0.302760\nCs Mg Np H O\n6 1 2 16 18\ndirect\n0.503711 0.601743 0.804083 Cs\n0.996289 0.195917 0.398257 Cs\n0.462387 0.377269 0.203459 Cs\n0.037613 0.796541 0.622731 Cs\n0.250000 0.967749 0.032251 Cs\n0.750000 0.073075 0.926925 Cs\n0.750000 0.730153 0.269847 Mg\n0.997107 0.488835 0.004881 Np\n0.502893 0.995119 0.511165 Np\n0.934318 0.437180 0.699814 H\n0.565682 0.300186 0.562820 H\n0.020092 0.565255 0.314616 H\n0.479908 0.685384 0.434745 H\n0.203985 0.083316 0.714065 H\n0.296015 0.285935 0.916684 H\n0.746496 0.020937 0.287843 H\n0.753504 0.712157 0.979063 H\n0.090146 0.235299 0.745069 H\n0.409854 0.254931 0.764701 H\n0.018229 0.848427 0.249890 H\n0.481771 0.750110 0.151573 H\n0.169693 0.473589 0.599616 H\n0.330308 0.400384 0.526411 H\n0.819035 0.476578 0.438568 H\n0.680965 0.561432 0.523422 H\n0.870071 0.710394 0.939753 O\n0.629929 0.060247 0.289606 O\n0.123703 0.299191 0.066029 O\n0.376296 0.933971 0.700809 O\n0.191611 0.598113 0.005153 O\n0.308389 0.994847 0.401887 O\n0.792704 0.397163 0.005800 O\n0.707296 0.994200 0.602837 O\n0.041410 0.435124 0.747048 O\n0.458590 0.252952 0.564876 O\n0.915201 0.545989 0.271595 O\n0.584799 0.728405 0.454011 O\n0.089760 0.123490 0.738185 O\n0.410240 0.261815 0.876509 O\n0.911012 0.883912 0.289489 O\n0.588988 0.710511 0.116087 O\n0.250000 0.490341 0.509659 O\n0.750000 0.464957 0.535043 O\n",
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],
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"volume": 640.217260089124,
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"formula_full": "Cs6 Mg1 Np2 H16 O18",
"formula_reduced": "Cs6MgNp2(H8O9)2",
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}
]
}