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{
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"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.472495 -0.000000 0.000000\n0.000000 6.472495 0.000000\n-0.000000 -0.000000 10.038521\nRb Na Co O\n4 8 4 10\ndirect\n0.302018 0.302018 -0.000000 Rb\n0.197982 0.802017 0.500000 Rb\n0.802017 0.197982 0.500000 Rb\n0.697982 0.697982 -0.000000 Rb\n-0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776162 Na\n0.500000 0.000000 0.250000 Na\n0.500000 0.500000 0.276162 Na\n0.500000 0.500000 0.723837 Na\n0.000000 0.000000 0.223837 Na\n-0.000000 0.500000 0.250000 Na\n0.289769 0.289769 0.500000 Co\n0.210230 0.789769 -0.000000 Co\n0.710230 0.710230 0.500000 Co\n0.789769 0.210230 -0.000000 Co\n0.777146 0.777146 0.330385 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722853 0.277146 0.830385 O\n0.277146 0.722853 0.830385 O\n0.222854 0.222854 0.330385 O\n0.777146 0.777146 0.669615 O\n0.222854 0.222854 0.669615 O\n0.722853 0.277146 0.169615 O\n0.277146 0.722853 0.169615 O\n",
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{
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"structure_string": "K8 Rb4 Co4 O10\n1.0\n6.720924 0.000000 0.000000\n0.000000 6.720924 0.000000\n0.000000 0.000000 11.644665\nK Rb Co O\n8 4 4 10\ndirect\n0.000000 0.000000 0.777671 K\n0.183898 0.816101 0.500000 K\n0.316101 0.316101 0.000000 K\n0.000000 0.500000 0.750000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.222329 K\n0.500000 0.500000 0.722329 K\n0.500000 0.500000 0.277671 K\n0.816101 0.183898 0.500000 Rb\n0.500000 0.000000 0.750000 Rb\n0.683898 0.683898 0.000000 Rb\n0.500000 0.000000 0.250000 Rb\n0.198041 0.801958 0.000000 Co\n0.698041 0.698041 0.500000 Co\n0.301958 0.301958 0.500000 Co\n0.801958 0.198041 0.000000 Co\n0.285542 0.714458 0.139788 O\n0.214458 0.214458 0.639788 O\n0.714458 0.285542 0.139788 O\n0.714458 0.285542 0.860212 O\n0.285542 0.714458 0.860212 O\n0.785541 0.785541 0.639788 O\n0.214458 0.214458 0.360212 O\n0.785541 0.785541 0.360212 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.652562798032491,
"density_atomic": 0.07653905922249563,
"volume": 274.3697167606142,
"volume_molar": 7.868062164827379,
"formula_full": "Sr2 Li2 Nb4 O13",
"formula_reduced": "Sr2Li2Nb4O13",
"formula_anonymous": "A2B2C4D13",
"energy_above_hull": 3.096863129523809,
"spacegroup": 139
},
{
"id": "jvasp-85945",
"created_at": "2022-09-04T14:36:17.683225Z",
"updated_at": "2022-09-04T14:36:17.683240Z",
"structure_string": "Na2 Si4 Cu2 O11\n1.0\n5.183364 -0.010439 -0.685863\n-1.265918 6.180063 -0.751710\n-0.025301 -0.055258 8.353931\nNa Si Cu O\n2 4 2 11\ndirect\n0.872860 0.352861 0.193295 Na\n0.127139 0.647138 0.806705 Na\n0.408590 0.654635 0.187102 Si\n0.009537 0.134169 0.679824 Si\n0.591409 0.345364 0.812898 Si\n0.299759 0.110587 0.070616 Si\n0.990462 0.865829 0.320176 Cu\n0.700240 0.889412 0.929384 Cu\n0.768318 0.269246 0.672445 O\n0.726921 0.588699 0.896817 O\n0.231681 0.730754 0.327554 O\n0.001230 0.024801 0.183758 O\n0.715700 0.674787 0.279846 O\n0.402365 0.824840 0.053049 O\n0.597634 0.175158 0.946952 O\n0.000000 0.000000 0.500000 O\n0.284299 0.325213 0.720153 O\n-0.001230 0.975197 0.816242 O\n0.273078 0.411300 0.103184 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
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],
"chemical_system": "Cu-Na-O-Si",
"density": 2.868264742145006,
"density_atomic": 0.0711278394309284,
"volume": 267.124661061169,
"volume_molar": 8.466643733566581,
"formula_full": "Na2 Si4 Cu2 O11",
"formula_reduced": "Na2Cu2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.3215416736842105,
"spacegroup": 1
}
]
}