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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-758895
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 72
Number of elements: 5
Element list: ['Ta', 'Tl', 'P', 'H', 'O']
Chemical System: H-O-P-Ta-Tl
Density: 4.254073018852034
Atomic Density: 0.0671977568867262
Unit Cell Volume: 1071.4643365457694
Molar Volume: 8.96181813055366
Full Formula: Ta4 Tl4 P14 H2 O48
Reduced Formula: Ta2Tl2P7HO24
Formula Anonymous: AB2C2D7E24
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -566.97608544
Final energy per atom: -7.874667853333333
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.