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  1. Third-Parties
  2. MatprojStructure
  3. mp-1386542

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-1386542
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Te', 'As', 'O']
  • Chemical System: As-O-Te
  • Density: 4.655535449171073
  • Atomic Density: 0.06330192891028608
  • Unit Cell Volume: 505.51382163016905
  • Molar Volume: 9.513360593695033
  • Full Formula: Te6 As4 O22
  • Reduced Formula: Te3As2O11
  • Formula Anonymous: A2B3C11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -121.72300796
  • Final energy per atom: -3.80384399875
  • 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.