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{
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{
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{
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{
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"structure_string": "Ce5 P12 Ru19\n1.0\n6.317980 -10.943062 0.000000\n6.317980 10.943062 0.000000\n0.000000 0.000000 3.982365\nCe P Ru\n5 12 19\ndirect\n0.185589 0.185589 0.500000 Ce\n0.814411 0.000000 0.500000 Ce\n0.000000 0.814411 0.500000 Ce\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.000000 Ce\n0.814204 0.814204 0.000000 P\n0.185796 0.000000 0.000000 P\n0.000000 0.185796 0.000000 P\n0.170140 0.476632 0.500000 P\n0.523368 0.693508 0.500000 P\n0.306492 0.829860 0.500000 P\n0.693508 0.523368 0.500000 P\n0.829860 0.306492 0.500000 P\n0.476632 0.170140 0.500000 P\n0.373749 0.373749 0.000000 P\n0.626251 0.000000 0.000000 P\n0.000000 0.626251 0.000000 P\n0.554664 0.554664 0.000000 Ru\n0.445336 0.000000 0.000000 Ru\n0.000000 0.445336 0.000000 Ru\n0.716295 0.716295 0.500000 Ru\n0.283705 0.000000 0.500000 Ru\n0.000000 0.283705 0.500000 Ru\n0.183679 0.376437 0.000000 Ru\n0.623563 0.807242 0.000000 Ru\n0.192758 0.816321 0.000000 Ru\n0.807242 0.623563 0.000000 Ru\n0.816321 0.192758 0.000000 Ru\n0.376437 0.183679 0.000000 Ru\n0.365628 0.491877 0.500000 Ru\n0.508123 0.873751 0.500000 Ru\n0.126249 0.634372 0.500000 Ru\n0.873751 0.508123 0.500000 Ru\n0.634372 0.126249 0.500000 Ru\n0.491877 0.365628 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n",
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{
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{
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"updated_at": "2021-11-28T01:35:07.736000Z",
"spacegroup": 193
},
{
"id": "mp-1226992",
"created_at": "2022-09-04T14:45:33.385317Z",
"structure_string": "Ce5 Sb4 As1\n1.0\n-2.227576 2.227576 15.648574\n2.227576 -2.227576 15.648574\n2.227576 2.227576 -15.648574\nCe Sb As\n5 4 1\ndirect\n0.799908 0.799908 0.000000 Ce\n0.200092 0.200092 0.000000 Ce\n0.595636 0.595636 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.404364 0.404364 0.000000 Ce\n0.900221 0.900221 0.000000 Sb\n0.301480 0.301480 0.000000 Sb\n0.698520 0.698520 0.000000 Sb\n0.099779 0.099779 0.000000 Sb\n0.500000 0.500000 0.000000 As\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sb",
"As"
],
"chemical_system": "As-Ce-Sb",
"density": 6.749863256813586,
"density_atomic": 0.03219587113591405,
"volume": 310.59883293063433,
"volume_molar": 18.704698918000034,
"formula_full": "Ce5 Sb4 As1",
"formula_reduced": "Ce5Sb4As",
"formula_anonymous": "AB4C5",
"energy": -62.68732227,
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"updated_at": "2021-11-28T01:37:07.549000Z",
"spacegroup": 139
},
{
"id": "mp-1106145",
"created_at": "2022-09-04T14:41:16.475912Z",
"structure_string": "Ce10 Si6\n1.0\n0.000000 0.000000 -5.971544\n-4.437575 -7.686105 0.000000\n-4.398450 7.663516 0.000000\nCe Si\n10 6\ndirect\n0.500002 0.333065 0.666176 Ce\n0.500002 0.666889 0.333824 Ce\n0.000002 0.666935 0.333824 Ce\n0.000002 0.333111 0.666176 Ce\n0.749953 0.261102 0.000000 Ce\n0.750012 0.739171 0.738732 Ce\n0.750012 0.000440 0.261268 Ce\n0.249953 0.738898 0.000000 Ce\n0.250012 0.260829 0.261268 Ce\n0.250012 0.999560 0.738732 Ce\n0.749972 0.616388 0.000000 Si\n0.750023 0.383589 0.383661 Si\n0.750023 0.999929 0.616339 Si\n0.249972 0.383612 0.000000 Si\n0.250023 0.616411 0.616339 Si\n0.250023 0.000071 0.383661 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ce-Si",
"density": 6.436501603756595,
"density_atomic": 0.03951041387415912,
"volume": 404.95652743502217,
"volume_molar": 15.241907561840659,
"formula_full": "Ce10 Si6",
"formula_reduced": "Ce5Si3",
"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:35:18.908000Z",
"spacegroup": 193
}
]
}