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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207441

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-1207441
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Zr', 'Ag', 'Hg', 'F']
  • Chemical System: Ag-F-Hg-Zr
  • Density: 5.090982242395748
  • Atomic Density: 0.06071999658801793
  • Unit Cell Volume: 889.3281132142881
  • Molar Volume: 9.917887184447517
  • Full Formula: Zr6 Ag2 Hg6 F40
  • Reduced Formula: Zr3AgHg3F20
  • Formula Anonymous: AB3C3D20
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -295.39416093
  • Final energy per atom: -5.470262239444445
  • 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.