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  1. Third-Parties
  2. MatprojStructure
  3. mp-30159

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-30159
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Au', 'Br', 'F']
  • Chemical System: Au-Br-F
  • Density: 4.522997317373724
  • Atomic Density: 0.05575000285841242
  • Unit Cell Volume: 286.99550098024207
  • Molar Volume: 10.802045652435847
  • Full Formula: Au2 Br2 F12
  • Reduced Formula: AuBrF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -53.53236855
  • Final energy per atom: -3.345773034375
  • 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.