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"id": "jvasp-85781",
"created_at": "2022-09-04T14:35:46.167937Z",
"updated_at": "2022-09-04T14:35:46.167967Z",
"structure_string": "Na2 H8 I2 O4\n1.0\n6.326085 0.110487 -3.308265\n-2.350656 5.311810 0.901494\n0.039234 0.024460 7.069620\nNa H I O\n2 8 2 4\ndirect\n0.861563 0.679373 0.517086 Na\n0.138437 0.320627 0.482914 Na\n0.106909 0.391215 0.861422 H\n0.893091 0.608786 0.138578 H\n0.862612 0.202606 0.719961 H\n0.137388 0.797394 0.280039 H\n0.264122 0.053968 0.861934 H\n0.735878 0.946033 0.138066 H\n0.347563 0.953548 0.733196 H\n0.652437 0.046453 0.266804 H\n0.621939 0.753501 0.776900 I\n0.378061 0.246500 0.223100 I\n0.982844 0.363418 0.715178 O\n0.017156 0.636583 0.284822 O\n0.222753 -0.000423 0.717568 O\n0.777248 0.000424 0.282433 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O",
"density": 2.5712912369153265,
"density_atomic": 0.0666277025075717,
"volume": 240.14035300379342,
"volume_molar": 9.038493799655829,
"formula_full": "Na2 H8 I2 O4",
"formula_reduced": "NaH4IO2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9135315343750003,
"spacegroup": 2
},
{
"id": "jvasp-52831",
"created_at": "2022-09-04T14:36:31.558602Z",
"updated_at": "2022-09-04T14:36:31.558630Z",
"structure_string": "Na2 H6 C4 O10\n1.0\n-5.719917 0.013985 0.016171\n2.216218 5.925045 0.004801\n-0.550811 -1.592369 -6.464231\nNa H C O\n2 6 4 10\ndirect\n0.759066 0.753786 0.972901 Na\n0.240935 0.246216 0.027099 Na\n0.232017 0.799742 0.766040 H\n0.767984 0.200260 0.233960 H\n0.254786 0.776300 -0.003117 H\n0.745214 0.223702 0.003118 H\n0.992726 0.743824 0.393426 H\n0.007274 0.256177 0.606574 H\n0.597780 0.277219 0.642329 C\n0.402221 0.722783 0.357671 C\n0.646995 0.742167 0.458782 C\n0.353006 0.257835 0.541218 C\n0.180639 0.843762 0.911139 O\n0.659596 0.756321 0.644616 O\n0.340404 0.243680 0.355384 O\n0.828655 0.735633 0.325486 O\n0.171346 0.264368 0.674514 O\n0.387083 0.667215 0.163246 O\n0.612917 0.332787 0.836755 O\n0.235233 0.761871 0.483177 O\n0.764767 0.238131 0.516823 O\n0.819362 0.156240 0.088861 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 1.969832303336295,
"density_atomic": 0.10035121527769506,
"volume": 219.23003063909994,
"volume_molar": 6.001064106035329,
"formula_full": "Na2 H6 C4 O10",
"formula_reduced": "NaH3C2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 3.3098178636363635,
"spacegroup": 2
}
]
}