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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-1147707
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: 7
Number of elements: 4
Element list: ['Rb', 'Cu', 'Cl', 'F']
Chemical System: Cl-Cu-F-Rb
Density: 3.291199852751228
Atomic Density: 0.04040383865429363
Unit Cell Volume: 173.2508650946245
Molar Volume: 14.904872805594277
Full Formula: Rb2 Cu1 Cl2 F2
Reduced Formula: Rb2Cu(ClF)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -27.84340651
Final energy per atom: -3.9776295014285714
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.