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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-861500
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 28
Number of elements: 4
Element list: ['Pr', 'B', 'H', 'F']
Chemical System: B-F-H-Pr
Density: 3.3817006467733877
Atomic Density: 0.08064883859954163
Unit Cell Volume: 347.1841688760431
Molar Volume: 7.467114052196937
Full Formula: Pr2 B4 H2 F20
Reduced Formula: PrB2HF10
Formula Anonymous: ABC2D10
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -174.86477773
Final energy per atom: -6.245170633214285
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.