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{
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{
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"structure_string": "Rb1 Al1 O1\n1.0\n4.681483 0.000000 0.000000\n0.000000 4.681483 -0.000000\n0.000000 -0.000000 7.780251\nRb Al O\n1 1 1\ndirect\n0.000000 0.000000 0.702499 Rb\n0.000000 0.000000 0.230278 Al\n0.000000 0.000000 0.017315 O\n",
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{
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{
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{
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{
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"structure_string": "Li8 H2 N2\n1.0\n4.809232 0.002795 -0.007336\n-0.027595 4.821850 -0.013391\n-2.383149 -2.398608 4.916502\nLi H N\n8 2 2\ndirect\n0.827783 0.472590 0.067463 Li\n0.474952 0.239303 0.566399 Li\n0.908557 0.172916 0.433615 Li\n0.760315 0.905151 0.932548 Li\n0.239683 0.094849 0.067451 Li\n0.091441 0.827084 0.566384 Li\n0.525046 0.760698 0.433600 Li\n0.172214 0.527410 0.932536 Li\n0.373372 0.623385 0.746745 H\n0.626626 0.376615 0.253254 H\n0.875260 0.125262 0.750515 N\n0.124738 0.874738 0.249484 N\n",
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{
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"structure_string": "K1 Rb2 Na1\n1.0\n-19.092743 -0.000000 -11.023200\n-11.441131 -0.236861 -2.229780\n-10.066301 3.651746 -4.611057\nK Rb Na\n1 2 1\ndirect\n0.500000 -0.000000 0.000000 K\n0.822520 -0.000000 0.000000 Rb\n0.177480 -0.000000 0.000000 Rb\n0.000000 0.000000 0.000000 Na\n",
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{
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"created_at": "2022-09-04T14:37:04.653974Z",
"updated_at": "2022-09-04T14:37:04.653996Z",
"structure_string": "H20 C18\n1.0\n5.205596 -0.187631 -1.378512\n-1.258828 6.280549 -0.159138\n-0.405847 -0.255027 9.860636\nH C\n20 18\ndirect\n0.730180 0.512744 0.167065 H\n0.533345 0.830875 0.827265 H\n0.750066 0.566060 0.407100 H\n0.250074 0.566062 0.907103 H\n0.053087 0.883924 0.566969 H\n0.553091 0.883928 0.066974 H\n0.113261 0.191425 0.207889 H\n0.613274 0.191428 0.707886 H\n0.240216 0.186752 0.487629 H\n0.740227 0.186748 -0.012373 H\n0.033331 0.830873 0.327262 H\n0.154999 0.152612 0.760364 H\n0.654993 0.152612 0.260371 H\n0.894288 0.405069 0.744729 H\n0.394276 0.405066 0.244728 H\n0.230186 0.512748 0.667070 H\n0.563270 0.064521 0.409655 H\n0.565733 0.369216 0.901505 H\n0.065730 0.369222 0.401507 H\n0.063284 0.064526 0.909651 H\n0.413055 0.592972 0.645719 C\n0.465371 0.515418 0.524369 C\n0.913052 0.592969 0.145715 C\n0.309052 0.260805 0.287525 C\n0.809063 0.260806 0.787523 C\n0.816147 0.882996 0.708357 C\n0.316141 0.882997 0.208358 C\n0.965375 0.515417 0.024367 C\n0.200013 0.621637 0.999226 C\n0.372120 0.802850 0.089830 C\n0.700012 0.621638 0.499225 C\n0.260822 0.327207 0.426950 C\n0.760831 0.327207 0.926950 C\n0.481597 0.092437 0.297374 C\n0.981605 0.092437 0.797370 C\n0.083899 0.772070 0.235843 C\n0.872123 0.802850 0.589829 C\n0.583908 0.772073 0.735847 C\n",
"nsites": 38,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.242487781191952,
"density_atomic": 0.12030078091906538,
"volume": 315.87492375103716,
"volume_molar": 5.005903298376349,
"formula_full": "H20 C18",
"formula_reduced": "H10C9",
"formula_anonymous": "A9B10",
"energy_above_hull": 5.308392105263158,
"spacegroup": 1
}
]
}