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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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{
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"created_at": "2022-09-04T14:38:40.036922Z",
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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": "Li2 Al2 Si4 O13\n1.0\n4.937515 0.009214 0.025863\n0.082666 6.881855 3.144209\n-0.031246 -0.000508 8.644365\nLi Al Si O\n2 2 4 13\ndirect\n0.105102 0.125983 0.696599 Li\n0.624877 0.838219 0.301130 Li\n0.101691 0.074723 0.365415 Al\n0.631130 0.094318 0.888700 Al\n0.132856 0.905651 0.095759 Si\n0.170143 0.503021 0.084146 Si\n0.676715 0.514238 0.866882 Si\n0.595293 0.937847 0.606874 Si\n0.805296 0.944096 0.078525 O\n0.777279 0.974138 0.436738 O\n0.054082 0.318248 0.240320 O\n0.725386 0.335076 0.814860 O\n0.220890 0.681025 0.141686 O\n0.279732 0.049281 0.917233 O\n0.957608 0.583226 0.923602 O\n0.460401 0.448298 0.023559 O\n0.744115 0.030329 0.723612 O\n0.298789 0.043052 0.545969 O\n0.552468 0.703980 0.706240 O\n0.250915 0.944875 0.256192 O\n0.920642 0.668461 0.460768 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.1944495168169276,
"density_atomic": 0.07149298736357206,
"volume": 293.735102901857,
"volume_molar": 8.42340064680032,
"formula_full": "Li2 Al2 Si4 O13",
"formula_reduced": "Li2Al2Si4O13",
"formula_anonymous": "A2B2C4D13",
"energy_above_hull": 2.807798357142857,
"spacegroup": 1
},
{
"id": "jvasp-119216",
"created_at": "2022-09-04T14:38:52.119202Z",
"updated_at": "2022-09-04T14:38:52.119228Z",
"structure_string": "Ba4 Na2 W2 O11\n1.0\n5.931651 0.027486 0.000000\n-0.090023 5.931032 0.000000\n-0.000000 -0.000000 8.592218\nBa Na W O\n4 2 2 11\ndirect\n0.013078 0.478369 0.276738 Ba\n0.013078 0.478369 0.723263 Ba\n0.521631 0.986922 0.276738 Ba\n0.521631 0.986922 0.723263 Ba\n0.513248 0.486752 0.500000 Na\n0.985074 0.014927 -0.000000 Na\n0.505435 0.494565 -0.000000 W\n0.019439 0.980561 0.500000 W\n0.721793 0.278207 -0.000000 O\n0.492542 0.507459 0.223534 O\n0.492542 0.507459 0.776466 O\n0.022016 0.977984 0.730334 O\n0.785875 0.214126 0.500000 O\n0.242584 0.219510 0.500000 O\n0.780490 0.757417 0.500000 O\n0.609703 0.794214 -0.000000 O\n0.245780 0.754220 0.500000 O\n0.022016 0.977984 0.269666 O\n0.205786 0.390297 -0.000000 O\n",
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"elements": [
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],
"chemical_system": "Ba-Na-O-W",
"density": 6.256280875329708,
"density_atomic": 0.0628509594362151,
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"volume_molar": 9.581621050847485,
"formula_full": "Ba4 Na2 W2 O11",
"formula_reduced": "Ba4Na2W2O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.505265283157895,
"spacegroup": 38
}
]
}