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  1. Third-Parties
  2. MatprojStructure
  3. mp-684034

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-684034
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 172
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'Sb']
  • Chemical System: Ba-Cd-Sb
  • Density: 5.43349508591745
  • Atomic Density: 0.025465449180150528
  • Unit Cell Volume: 6754.249602401213
  • Molar Volume: 23.64828013595008
  • Full Formula: Ba84 Cd16 Sb72
  • Reduced Formula: Ba21(Cd2Sb9)2
  • Formula Anonymous: A4B18C21
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -655.43906706
  • Final energy per atom: -3.8106922503488367
  • 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.