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{
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{
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{
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"structure_string": "Ba8 Mn2 N8\n1.0\n6.390798 -0.755942 -0.646862\n1.660947 7.220318 -0.330404\n0.618549 2.767986 8.987128\nBa Mn N\n8 2 8\ndirect\n0.759689 0.520958 0.106883 Ba\n0.240311 0.479042 0.893117 Ba\n0.757316 0.102870 0.909387 Ba\n0.242684 0.897130 0.090613 Ba\n0.766254 0.429260 0.570757 Ba\n0.233746 0.570740 0.429243 Ba\n0.265054 0.971667 0.628053 Ba\n0.734946 0.028333 0.371947 Ba\n0.798138 0.774618 0.738641 Mn\n0.201862 0.225382 0.261359 Mn\n0.965909 0.699228 0.618525 N\n0.034091 0.300772 0.381475 N\n0.950911 0.771943 0.902350 N\n0.049089 0.228057 0.097650 N\n0.604701 0.626213 0.779382 N\n0.395299 0.373787 0.220618 N\n0.312699 0.991276 0.341537 N\n0.687301 0.008724 0.658463 N\n",
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"structure_string": "Li4 Mn4 Cr2 O12\n1.0\n2.612076 -4.394882 0.000000\n2.612076 4.394882 0.000000\n0.000000 0.000000 10.209181\nLi Mn Cr O\n4 4 2 12\ndirect\n0.647394 0.147394 0.750000 Li\n0.852606 0.352606 0.250000 Li\n0.147394 0.647394 0.750000 Li\n0.352606 0.852606 0.250000 Li\n0.837177 0.162823 0.500000 Mn\n0.662823 0.337177 0.000000 Mn\n0.337177 0.662823 0.000000 Mn\n0.162823 0.837177 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.670727 0.020913 0.106107 O\n0.329273 0.979087 0.893893 O\n0.520913 0.170727 0.393893 O\n0.829273 0.479087 0.606107 O\n0.165404 0.165404 0.596057 O\n0.334596 0.334596 0.096057 O\n0.665404 0.665404 0.903943 O\n0.979087 0.329273 0.893893 O\n0.834596 0.834596 0.403943 O\n0.170727 0.520913 0.393893 O\n0.479087 0.829273 0.606107 O\n0.020913 0.670727 0.106107 O\n",
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{
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"structure_string": "Ce6 Sn26 Ru8\n1.0\n9.790407 0.000000 0.000000\n0.000000 9.790407 0.000000\n0.000000 0.000000 9.790407\nCe Sn Ru\n6 26 8\ndirect\n0.500000 0.000000 0.750000 Ce\n0.000000 0.250000 0.500000 Ce\n0.750000 0.500000 0.000000 Ce\n0.500000 0.000000 0.250000 Ce\n0.000000 0.750000 0.500000 Ce\n0.250000 0.500000 0.000000 Ce\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.653939 0.197031 0.500000 Sn\n0.802969 0.500000 0.653939 Sn\n0.500000 0.346061 0.802969 Sn\n0.346061 0.802969 0.500000 Sn\n0.197031 0.500000 0.346061 Sn\n0.500000 0.653939 0.197031 Sn\n0.653939 0.802969 0.500000 Sn\n0.802969 0.500000 0.346061 Sn\n0.346061 0.197031 0.500000 Sn\n0.197031 0.500000 0.653939 Sn\n0.500000 0.653939 0.802969 Sn\n0.500000 0.346061 0.197031 Sn\n0.153939 0.000000 0.697031 Sn\n0.302969 0.153939 0.000000 Sn\n0.000000 0.302969 0.846061 Sn\n0.846061 0.000000 0.302969 Sn\n0.697031 0.846061 0.000000 Sn\n0.000000 0.697031 0.153939 Sn\n0.153939 0.000000 0.302969 Sn\n0.302969 0.846061 0.000000 Sn\n0.846061 0.000000 0.697031 Sn\n0.697031 0.153939 0.000000 Sn\n0.000000 0.302969 0.153939 Sn\n0.000000 0.697031 0.846061 Sn\n0.750000 0.250000 0.750000 Ru\n0.250000 0.750000 0.250000 Ru\n0.750000 0.750000 0.250000 Ru\n0.250000 0.250000 0.750000 Ru\n0.250000 0.750000 0.750000 Ru\n0.750000 0.250000 0.250000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"spacegroup": 223
},
{
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"structure_string": "Co6 Ni2 O16\n1.0\n5.594539 -0.000059 -0.000299\n-2.797320 4.845101 0.000598\n-0.000401 0.000695 8.524573\nCo Ni O\n6 2 16\ndirect\n0.168060 0.831912 0.207691 Co\n0.168016 0.336041 0.207712 Co\n0.663866 0.831909 0.207708 Co\n0.336134 0.168044 0.707708 Co\n0.831940 0.663852 0.707691 Co\n0.831984 0.168026 0.707712 Co\n0.333313 0.666701 0.483405 Ni\n0.666687 0.333390 0.983405 Ni\n0.165662 0.834412 0.603974 O\n0.039963 0.519931 0.340783 O\n0.333322 0.666681 0.094188 O\n0.999975 0.999843 0.322519 O\n0.000025 0.999868 0.822519 O\n0.165673 0.331459 0.604180 O\n0.480069 0.960072 0.340781 O\n0.479961 0.519980 0.340812 O\n0.331400 0.165797 0.104107 O\n0.668600 0.834397 0.604107 O\n0.519931 0.480003 0.840781 O\n0.520039 0.040019 0.840812 O\n0.666678 0.333359 0.594188 O\n0.834338 0.668750 0.103974 O\n0.960037 0.479969 0.840783 O\n0.834327 0.165786 0.104180 O\n",
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"volume": 231.06657439802848,
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"formula_full": "Co6 Ni2 O16",
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]
}