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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-645405
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 164
Number of elements: 6
Element list: ['Rb', 'Li', 'Pr', 'Se', 'Cl', 'O']
Chemical System: Cl-Li-O-Pr-Rb-Se
Density: 4.221793368630846
Atomic Density: 0.050109314536245064
Unit Cell Volume: 3272.84461018471
Molar Volume: 12.018006663499788
Full Formula: Rb12 Li2 Pr22 Se24 Cl32 O72
Reduced Formula: Rb6LiPr11Se12(Cl4O9)4
Formula Anonymous: AB6C11D12E16F36
Spacegroup Number: 140
Spacegroup Symbol: I4/mcm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -1009.96789267
Final energy per atom: -6.158340808963414
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.