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  1. Third-Parties
  2. MatprojStructure
  3. mp-562004

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-562004
  • 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: 64
  • Number of elements: 5
  • Element list: ['Ca', 'Co', 'Te', 'Cl', 'O']
  • Chemical System: Ca-Cl-Co-O-Te
  • Density: 4.360002084802474
  • Atomic Density: 0.056798113329163846
  • Unit Cell Volume: 1126.7979911427487
  • Molar Volume: 10.60271267304198
  • Full Formula: Ca4 Co8 Te12 Cl8 O32
  • Reduced Formula: CaCo2Te3(ClO4)2
  • Formula Anonymous: AB2C2D3E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -387.64146808
  • Final energy per atom: -6.05689793875
  • 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.