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  1. Third-Parties
  2. MatprojStructure
  3. mp-562450

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-562450
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Co', 'Te', 'As', 'O']
  • Chemical System: As-Co-O-Te
  • Density: 5.316366739079582
  • Atomic Density: 0.0860215206897728
  • Unit Cell Volume: 627.7498882488383
  • Molar Volume: 7.000737387238471
  • Full Formula: Co16 Te2 As4 O32
  • Reduced Formula: Co8Te(AsO8)2
  • Formula Anonymous: AB2C8D16
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -375.46409266
  • Final energy per atom: -6.953038752962963
  • 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.