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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195439

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-1195439
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Ba', 'U', 'Ti', 'Te']
  • Chemical System: Ba-Te-Ti-U
  • Density: 6.470212430919694
  • Atomic Density: 0.029483051195182554
  • Unit Cell Volume: 1492.3828510391581
  • Molar Volume: 20.425771810836185
  • Full Formula: Ba8 U4 Ti4 Te28
  • Reduced Formula: Ba2UTiTe7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -236.94873342
  • Final energy per atom: -5.385198486818182
  • 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.