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"energy_above_hull": 2.27176169375,
"spacegroup": 11
},
{
"id": "jvasp-14213",
"created_at": "2022-09-04T14:38:03.851546Z",
"updated_at": "2022-09-04T14:38:03.851567Z",
"structure_string": "Tl4 P20\n1.0\n6.545238 0.000000 0.000000\n0.000000 7.028703 0.000000\n0.000000 0.000000 12.330646\nTl P\n4 20\ndirect\n0.500000 0.014823 0.341028 Tl\n0.500000 0.985176 0.841028 Tl\n0.000000 0.777761 0.499480 Tl\n0.000000 0.222239 -0.000520 Tl\n0.000000 0.345726 0.508592 P\n0.000000 0.654274 0.008592 P\n0.000000 0.170343 0.358931 P\n0.000000 0.829657 0.858931 P\n0.000000 0.383394 0.228427 P\n0.000000 0.616606 0.728427 P\n0.252736 0.592082 0.261601 P\n0.747264 0.407917 0.761601 P\n0.747264 0.592082 0.261601 P\n0.249797 0.785622 0.111300 P\n0.500000 0.339970 0.510670 P\n0.750203 0.214378 0.611300 P\n0.750203 0.785622 0.111300 P\n0.249797 0.214378 0.611300 P\n0.500000 0.613980 0.716784 P\n0.500000 0.386020 0.216784 P\n0.500000 0.646810 0.541988 P\n0.500000 0.353190 0.041988 P\n0.252736 0.407917 0.761601 P\n0.500000 0.660030 0.010670 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-Tl",
"density": 4.206510244980176,
"density_atomic": 0.042308222177022646,
"volume": 567.2656227335939,
"volume_molar": 14.233972618378159,
"formula_full": "Tl4 P20",
"formula_reduced": "TlP5",
"formula_anonymous": "AB5",
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"spacegroup": 26
}
]
}