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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204761

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-1204761
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 6
  • Element list: ['Ho', 'H', 'C', 'Cl', 'O', 'F']
  • Chemical System: C-Cl-F-H-Ho-O
  • Density: 2.2328454421795705
  • Atomic Density: 0.06862879176557922
  • Unit Cell Volume: 1806.8218426976914
  • Molar Volume: 8.774947955619417
  • Full Formula: Ho4 H24 C24 Cl12 O36 F24
  • Reduced Formula: HoH6C6Cl3(O3F2)3
  • Formula Anonymous: AB3C6D6E6F9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -771.8731018
  • Final energy per atom: -6.224783079032258
  • 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.