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  1. Third-Parties
  2. MatprojStructure
  3. mp-865528

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-865528
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Cd', 'Sb', 'F']
  • Chemical System: Ba-Cd-F-Sb
  • Density: 5.599650540227276
  • Atomic Density: 0.02848029561051986
  • Unit Cell Volume: 912.9118726701803
  • Molar Volume: 21.144937687288547
  • Full Formula: Ba10 Cd4 Sb10 F2
  • Reduced Formula: Ba5Cd2Sb5F
  • Formula Anonymous: AB2C5D5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -102.34598627
  • Final energy per atom: -3.936384087307692
  • 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.