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  1. Third-Parties
  2. MatprojStructure
  3. mp-16560

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-16560
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'Er', 'Cu', 'Se']
  • Chemical System: Cu-Er-K-Se
  • Density: 6.112894738615118
  • Atomic Density: 0.039110332151416106
  • Unit Cell Volume: 409.09905694627736
  • Molar Volume: 15.397825660710863
  • Full Formula: K2 Er4 Cu2 Se8
  • Reduced Formula: KEr2CuSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -84.3076086
  • Final energy per atom: -5.2692255375
  • 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.