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"structure_string": "K2 Dy4 Cu4 Se9\n1.0\n2.057442 7.165663 0.000000\n-2.057442 7.165663 0.000000\n0.000000 5.479139 15.584713\nK Dy Cu Se\n2 4 4 9\ndirect\n0.032713 0.032713 0.730593 K\n0.967287 0.967287 0.269407 K\n0.231816 0.231816 0.896846 Dy\n0.344965 0.344965 0.556263 Dy\n0.655035 0.655035 0.443737 Dy\n0.768184 0.768184 0.103154 Dy\n0.424365 0.424365 0.971343 Cu\n0.759795 0.759795 0.728642 Cu\n0.240205 0.240205 0.271358 Cu\n0.575635 0.575635 0.028657 Cu\n0.864818 0.864818 0.922031 Se\n0.607066 0.607066 0.870293 Se\n0.355662 0.355662 0.722870 Se\n0.698576 0.698576 0.604305 Se\n0.000000 0.000000 0.500000 Se\n0.301424 0.301424 0.395695 Se\n0.644338 0.644338 0.277130 Se\n0.392934 0.392934 0.129707 Se\n0.135182 0.135182 0.077969 Se\n",
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"formula_full": "K2 Dy4 Cu4 Se9",
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"updated_at": "2021-11-28T01:34:54.491000Z",
"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:40:05.634743Z",
"structure_string": "Na2 Sc2 Si4 O12\n1.0\n4.577228 4.999297 0.000000\n-4.577228 4.999297 0.000000\n0.000000 1.639951 5.167347\nNa Sc Si O\n2 2 4 12\ndirect\n0.300256 0.699744 0.250000 Na\n0.699744 0.300256 0.750000 Na\n0.894430 0.105570 0.250000 Sc\n0.105570 0.894430 0.750000 Sc\n0.377092 0.203740 0.255248 Si\n0.203740 0.377092 0.755248 Si\n0.796260 0.622908 0.244752 Si\n0.622908 0.796260 0.744752 Si\n0.353241 0.345196 0.475777 O\n0.654804 0.646759 0.024223 O\n0.646759 0.654804 0.524223 O\n0.345196 0.353241 0.975777 O\n0.607274 0.113575 0.196035 O\n0.886425 0.392726 0.303965 O\n0.392726 0.886425 0.803965 O\n0.113575 0.607274 0.696035 O\n0.039411 0.197004 0.854489 O\n0.802996 0.960589 0.645511 O\n0.960589 0.802996 0.145511 O\n0.197004 0.039411 0.354489 O\n",
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"density_atomic": 0.0845708877279719,
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"formula_full": "Na2 Sc2 Si4 O12",
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"updated_at": "2021-11-28T01:34:47.235000Z",
"spacegroup": 15
},
{
"id": "mp-31010",
"created_at": "2022-09-04T14:40:05.636309Z",
"structure_string": "Ca16 As24\n1.0\n5.858448 0.000000 0.000000\n0.000000 12.036807 0.000000\n0.000000 11.841867 13.797954\nCa As\n16 24\ndirect\n0.245580 0.375440 0.999204 Ca\n0.245580 0.624560 0.500796 Ca\n0.754420 0.624560 0.000796 Ca\n0.754420 0.375440 0.499204 Ca\n0.259945 0.133485 0.490880 Ca\n0.259945 0.866515 0.009120 Ca\n0.740055 0.866515 0.509120 Ca\n0.740055 0.133485 0.990880 Ca\n0.548008 0.759091 0.248948 Ca\n0.548008 0.240909 0.251052 Ca\n0.451992 0.240909 0.751052 Ca\n0.451992 0.759091 0.748948 Ca\n0.960116 0.000000 0.250000 Ca\n0.039884 0.000000 0.750000 Ca\n0.908531 0.500000 0.250000 Ca\n0.091469 0.500000 0.750000 Ca\n0.546749 0.925079 0.841870 As\n0.546749 0.074921 0.658130 As\n0.453251 0.074921 0.158130 As\n0.453251 0.925079 0.341870 As\n0.731664 0.713729 0.422501 As\n0.731664 0.286271 0.077499 As\n0.268336 0.286271 0.577499 As\n0.268336 0.713729 0.922501 As\n0.396950 0.548156 0.164512 As\n0.396950 0.451844 0.335488 As\n0.603050 0.451844 0.835488 As\n0.603050 0.548156 0.664512 As\n0.049830 0.157128 0.329029 As\n0.049830 0.842872 0.170971 As\n0.950170 0.842872 0.670971 As\n0.950170 0.157128 0.829029 As\n0.225815 0.188280 0.922302 As\n0.225815 0.811720 0.577698 As\n0.774185 0.811720 0.077698 As\n0.774185 0.188280 0.422302 As\n0.096761 0.394106 0.154961 As\n0.096761 0.605894 0.345039 As\n0.903239 0.605894 0.845039 As\n0.903239 0.394106 0.654961 As\n",
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"elements": [
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],
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"volume": 972.9904311602426,
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"formula_full": "Ca16 As24",
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"energy": -179.05426243,
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"updated_at": "2021-11-28T01:34:46.868000Z",
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}
]
}