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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105536

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-1105536
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ba', 'U', 'Te']
  • Chemical System: Ba-Te-U
  • Density: 7.945093989492903
  • Atomic Density: 0.0305878566579965
  • Unit Cell Volume: 523.0833980587902
  • Molar Volume: 19.688011577057157
  • Full Formula: Ba2 U4 Te10
  • Reduced Formula: BaU2Te5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -99.97094669
  • Final energy per atom: -6.248184168125
  • 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.