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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195095

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-1195095
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 4
  • Element list: ['K', 'Cu', 'Sb', 'F']
  • Chemical System: Cu-F-K-Sb
  • Density: 3.2959667759997044
  • Atomic Density: 0.05636798977064759
  • Unit Cell Volume: 1632.132002122719
  • Molar Volume: 10.683618104003948
  • Full Formula: K4 Cu4 Sb12 F72
  • Reduced Formula: KCuSb3F18
  • Formula Anonymous: ABC3D18
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -449.67589898000006
  • Final energy per atom: -4.887781510652174
  • 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.