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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223478

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-1223478
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['K', 'Cr', 'Se']
  • Chemical System: Cr-K-Se
  • Density: 5.044939210133382
  • Atomic Density: 0.04569805591243598
  • Unit Cell Volume: 306.3587656075787
  • Molar Volume: 13.178111496776328
  • Full Formula: K1 Cr5 Se8
  • Reduced Formula: KCr5Se8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -90.09766382
  • Final energy per atom: -6.435547415714285
  • 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.