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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224443

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-1224443
  • 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: 44
  • Number of elements: 4
  • Element list: ['K', 'Er', 'Cu', 'Te']
  • Chemical System: Cu-Er-K-Te
  • Density: 6.244292437983979
  • Atomic Density: 0.034759117990007776
  • Unit Cell Volume: 1265.854904967632
  • Molar Volume: 17.325355498753414
  • Full Formula: K6 Er8 Cu10 Te20
  • Reduced Formula: K3Er4(CuTe2)5
  • Formula Anonymous: A3B4C5D10
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -195.95202417
  • Final energy per atom: -4.453455094772727
  • 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.