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  1. Third-Parties
  2. MatprojStructure
  3. mp-1046653

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-1046653
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 4
  • Element list: ['Ca', 'Cr', 'Te', 'O']
  • Chemical System: Ca-Cr-O-Te
  • Density: 4.436956969788784
  • Atomic Density: 0.07346831890049567
  • Unit Cell Volume: 816.6785479502131
  • Molar Volume: 8.196921952380988
  • Full Formula: Ca8 Cr10 Te6 O36
  • Reduced Formula: Ca4Cr5(TeO6)3
  • Formula Anonymous: A3B4C5D18
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -445.76195841
  • Final energy per atom: -7.4293659734999995
  • 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.