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  1. Third-Parties
  2. MatprojStructure
  3. mp-572778

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-572778
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Cu', 'Bi', 'Te', 'Cl', 'O']
  • Chemical System: Bi-Cl-Cu-O-Te
  • Density: 5.7854309353720055
  • Atomic Density: 0.06386796087383172
  • Unit Cell Volume: 939.4381655385445
  • Molar Volume: 9.429048113648827
  • Full Formula: Cu12 Bi4 Te8 Cl4 O32
  • Reduced Formula: Cu3BiTe2ClO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -330.8076894
  • Final energy per atom: -5.51346149
  • 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.