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"created_at": "2022-09-04T14:36:22.222791Z",
"updated_at": "2022-09-04T14:36:22.222818Z",
"structure_string": "K8 Zn4 H16\n1.0\n5.776211 -0.000000 0.000000\n-0.000000 7.701555 0.000000\n0.000000 0.000000 10.175195\nK Zn H\n8 4 16\ndirect\n0.750000 0.340169 0.092854 K\n0.750000 0.840169 0.407147 K\n0.250000 0.659830 0.907147 K\n0.250000 0.159830 0.592854 K\n0.750000 0.015642 0.812853 K\n0.750000 0.515641 0.687148 K\n0.250000 0.984358 0.187148 K\n0.250000 0.484358 0.312852 K\n0.250000 0.236692 0.918685 Zn\n0.250000 0.736692 0.581316 Zn\n0.750000 0.763307 0.081316 Zn\n0.750000 0.263308 0.418685 Zn\n0.750000 0.192553 0.574406 H\n0.750000 0.692553 0.925595 H\n0.250000 0.021501 0.910167 H\n0.250000 0.521501 0.589834 H\n0.750000 0.978498 0.089834 H\n0.750000 0.478498 0.410166 H\n0.985081 0.683642 0.154146 H\n0.514919 0.683642 0.154146 H\n0.485081 0.316358 0.845855 H\n0.014919 0.816357 0.654146 H\n0.014919 0.316358 0.845855 H\n0.485081 0.816357 0.654146 H\n0.250000 0.307447 0.074405 H\n0.985081 0.183642 0.345855 H\n0.514919 0.183642 0.345855 H\n0.250000 0.807446 0.425595 H\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Zn",
"H"
],
"chemical_system": "H-K-Zn",
"density": 2.16641247620277,
"density_atomic": 0.061857707400723376,
"volume": 452.6517579872765,
"volume_molar": 9.735473578074403,
"formula_full": "K8 Zn4 H16",
"formula_reduced": "K2ZnH4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.0723709142857143,
"spacegroup": 62
},
{
"id": "jvasp-116749",
"created_at": "2022-09-04T14:38:44.561896Z",
"updated_at": "2022-09-04T14:38:44.561916Z",
"structure_string": "Sr6 Sb6 N10\n1.0\n6.060395 -0.030765 -0.897955\n-0.842122 7.304043 -1.374948\n-0.423389 -0.110699 10.314583\nSr Sb N\n6 6 10\ndirect\n0.726914 0.374519 0.537661 Sr\n0.273087 0.625480 0.462339 Sr\n0.734297 0.891317 0.947292 Sr\n0.265704 0.108682 0.052708 Sr\n0.730227 0.811783 0.266651 Sr\n0.269774 0.188215 0.733349 Sr\n0.799910 0.282402 0.226426 Sb\n0.266213 0.081119 0.376016 Sb\n0.200091 0.717596 0.773574 Sb\n0.220456 0.601752 0.083276 Sb\n0.779545 0.398246 0.916724 Sb\n0.733788 0.918880 0.623984 Sb\n0.351968 0.776455 0.977826 N\n-0.000236 0.925074 0.788817 N\n0.000236 0.074926 0.211182 N\n0.709861 0.685250 0.481298 N\n0.290140 0.314749 0.518702 N\n0.882148 0.638247 0.062931 N\n0.117853 0.361752 0.937069 N\n0.444363 0.875986 0.705565 N\n0.555638 0.124013 0.294435 N\n0.648033 0.223543 0.022174 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"N"
],
"chemical_system": "N-Sb-Sr",
"density": 5.124051269396999,
"density_atomic": 0.048617619858204446,
"volume": 452.51083998278864,
"volume_molar": 12.386745335464495,
"formula_full": "Sr6 Sb6 N10",
"formula_reduced": "Sr3Sb3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 3.142150316363636,
"spacegroup": 2
}
]
}