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"structure_string": "Rb1 Na3 Li12 Si4 O16\n1.0\n5.840629 -0.000022 2.393559\n2.920275 7.706914 1.196804\n-0.002195 0.000026 8.328167\nRb Na Li Si O\n1 3 12 4 16\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.000000 Na\n0.750001 0.500001 0.500000 Na\n0.250001 0.500000 0.500000 Na\n0.148159 0.872923 0.340549 Li\n0.638370 0.872924 0.340551 Li\n0.851843 0.127077 0.659451 Li\n0.978918 0.659451 0.872925 Li\n0.925700 0.358869 0.789732 Li\n0.511295 0.340548 0.127075 Li\n0.361632 0.127076 0.659449 Li\n0.488706 0.659452 0.872924 Li\n0.284573 0.789732 0.641129 Li\n0.074302 0.641131 0.210268 Li\n0.715429 0.210269 0.358870 Li\n0.021084 0.340550 0.127074 Li\n0.424633 0.355280 0.795457 Si\n0.575369 0.644720 0.204542 Si\n0.779913 0.795457 0.644718 Si\n0.220089 0.204543 0.355281 Si\n0.106012 0.219484 0.568491 O\n0.674504 0.431510 0.219481 O\n0.325497 0.568490 0.780519 O\n0.893990 0.780516 0.431509 O\n0.161708 0.404154 0.272431 O\n0.838294 0.595846 0.727569 O\n0.434141 0.727567 0.404153 O\n0.522041 0.111126 0.280360 O\n0.633166 0.280357 0.888875 O\n0.802403 0.719642 0.111124 O\n0.366835 0.719643 0.111125 O\n0.477961 0.888874 0.719640 O\n0.197599 0.280358 0.888876 O\n0.086473 0.111126 0.280360 O\n0.565860 0.272433 0.595846 O\n0.913529 0.888874 0.719640 O\n",
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"created_at": "2022-09-04T14:36:14.891821Z",
"updated_at": "2022-09-04T14:36:14.891852Z",
"structure_string": "Sn2 Hg2 O6\n1.0\n4.917747 -0.006924 2.964415\n1.671040 4.625139 2.964415\n-0.009878 -0.006924 5.742117\nSn Hg O\n2 2 6\ndirect\n0.500000 0.500001 0.500001 Sn\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750002 0.750001 Hg\n0.250000 0.250001 0.250000 Hg\n0.145986 0.750001 0.354015 O\n0.750000 0.354015 0.145987 O\n0.354013 0.145987 0.750001 O\n0.854014 0.250001 0.645987 O\n0.645986 0.854015 0.250001 O\n0.249999 0.645987 0.854015 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sn",
"Hg",
"O"
],
"chemical_system": "Hg-O-Sn",
"density": 9.320565392799251,
"density_atomic": 0.07640897338677269,
"volume": 130.87468077055883,
"volume_molar": 7.881457495203706,
"formula_full": "Sn2 Hg2 O6",
"formula_reduced": "SnHgO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.04526536,
"spacegroup": 167
}
]
}