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  1. Third-Parties
  2. MatprojStructure
  3. mp-28505

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-28505
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Al', 'Te']
  • Chemical System: Al-Ba-Te
  • Density: 4.558579764090015
  • Atomic Density: 0.027386287671116644
  • Unit Cell Volume: 511.2047374995374
  • Molar Volume: 21.989620617150457
  • Full Formula: Ba2 Al4 Te8
  • Reduced Formula: Ba(AlTe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -59.93356595
  • Final energy per atom: -4.280968996428571
  • 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.