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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212249

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-1212249
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Hf', 'Ag', 'Hg', 'F']
  • Chemical System: Ag-F-Hf-Hg
  • Density: 6.215004719678908
  • Atomic Density: 0.06218453375862198
  • Unit Cell Volume: 868.3831289884491
  • Molar Volume: 9.684306363662364
  • Full Formula: Hf6 Ag2 Hg6 F40
  • Reduced Formula: Hf3AgHg3F20
  • Formula Anonymous: AB3C3D20
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -308.18086743000003
  • Final energy per atom: -5.707053100555556
  • 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.