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  1. Third-Parties
  2. MatprojStructure
  3. mp-1356028

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-1356028
  • 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: 50
  • Number of elements: 5
  • Element list: ['Ba', 'Cu', 'Te', 'Cl', 'O']
  • Chemical System: Ba-Cl-Cu-O-Te
  • Density: 4.851982938531626
  • Atomic Density: 0.05382901576886462
  • Unit Cell Volume: 928.867067060896
  • Molar Volume: 11.187536450338152
  • Full Formula: Ba4 Cu8 Te8 Cl8 O22
  • Reduced Formula: Ba2Cu4Te4Cl4O11
  • Formula Anonymous: A2B4C4D4E11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -97.52831485
  • Final energy per atom: -1.950566297
  • 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.