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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-24103
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 42
Number of elements: 5
Element list: ['Cu', 'H', 'Br', 'N', 'O']
Chemical System: Br-Cu-H-N-O
Density: 2.7712029317028484
Atomic Density: 0.07697859668412983
Unit Cell Volume: 545.6062049603311
Molar Volume: 7.823136585239343
Full Formula: Cu2 H24 Br8 N4 O4
Reduced Formula: CuH12Br4(NO)2
Formula Anonymous: AB2C2D4E12
Spacegroup Number: 136
Spacegroup Symbol: P4_2/mnm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -190.81352394
Final energy per atom: -4.543179141428571
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.