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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195764

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-1195764
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 33
  • Number of elements: 4
  • Element list: ['Cu', 'Te', 'O', 'F']
  • Chemical System: Cu-F-O-Te
  • Density: 5.459108010146834
  • Atomic Density: 0.07061223661121314
  • Unit Cell Volume: 467.34109530754665
  • Molar Volume: 8.528466239014005
  • Full Formula: Cu7 Te6 O18 F2
  • Reduced Formula: Cu7Te6(O9F)2
  • Formula Anonymous: A2B6C7D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -183.25824941
  • Final energy per atom: -5.553280285151515
  • 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.