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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199437

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-1199437
  • 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: 80
  • Number of elements: 4
  • Element list: ['Cd', 'Sb', 'O', 'F']
  • Chemical System: Cd-F-O-Sb
  • Density: 3.818101380148213
  • Atomic Density: 0.06323002239297518
  • Unit Cell Volume: 1265.2217565699923
  • Molar Volume: 9.524179388348685
  • Full Formula: Cd4 Sb10 O4 F62
  • Reduced Formula: Cd2Sb5O2F31
  • Formula Anonymous: A2B2C5D31
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -365.59475729
  • Final energy per atom: -4.569934466125
  • 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.