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  1. Third-Parties
  2. MatprojStructure
  3. mp-562912

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-562912
  • 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: 92
  • Number of elements: 4
  • Element list: ['Co', 'Te', 'Cl', 'O']
  • Chemical System: Cl-Co-O-Te
  • Density: 4.879675495182925
  • Atomic Density: 0.06763549536893368
  • Unit Cell Volume: 1360.232515458997
  • Molar Volume: 8.903817037416257
  • Full Formula: Co24 Te12 Cl8 O48
  • Reduced Formula: Co6Te3(ClO6)2
  • Formula Anonymous: A2B3C6D12
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -591.8966376799999
  • Final energy per atom: -6.43365910521739
  • 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.