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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182595

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-1182595
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 5
  • Element list: ['Ba', 'Te', 'Mo', 'H', 'O']
  • Chemical System: Ba-H-Mo-O-Te
  • Density: 4.723983512551178
  • Atomic Density: 0.06943865515868573
  • Unit Cell Volume: 1094.491243044956
  • Molar Volume: 8.67260569237381
  • Full Formula: Ba4 Te8 Mo8 H8 O48
  • Reduced Formula: BaTe2Mo2(HO6)2
  • Formula Anonymous: AB2C2D2E12
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -529.0007558
  • Final energy per atom: -6.9605362605263155
  • 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.