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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-1104942
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 5
Element list: ['Rb', 'Ni', 'C', 'Br', 'N']
Chemical System: Br-C-N-Ni-Rb
Density: 2.995890542518529
Atomic Density: 0.04574129731395841
Unit Cell Volume: 306.0691502452809
Molar Volume: 13.165653607647645
Full Formula: Rb2 Ni2 C4 Br2 N4
Reduced Formula: RbNiC2BrN2
Formula Anonymous: ABCD2E2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -93.08303903
Final energy per atom: -6.648788502142857
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.