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  1. Third-Parties
  2. MatprojStructure
  3. mp-561124

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-561124
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Ho', 'Se', 'O', 'F']
  • Chemical System: F-Ho-O-Se
  • Density: 5.256367905288149
  • Atomic Density: 0.06196926527862299
  • Unit Cell Volume: 645.4812691445361
  • Molar Volume: 9.717947651829602
  • Full Formula: Ho6 Se8 O24 F2
  • Reduced Formula: Ho3Se4O12F
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -277.37674563
  • Final energy per atom: -6.934418640750001
  • 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.