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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-866716
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 84
Number of elements: 5
Element list: ['Rb', 'Li', 'H', 'Se', 'N']
Chemical System: H-Li-N-Rb-Se
Density: 2.319919736754089
Atomic Density: 0.07382499126363362
Unit Cell Volume: 1137.8260743713574
Molar Volume: 8.157319976503027
Full Formula: Rb4 Li4 H48 Se12 N16
Reduced Formula: RbLiH12Se3N4
Formula Anonymous: ABC3D4E12
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -399.55305405
Final energy per atom: -4.7565839767857145
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.