Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-18536

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-18536
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Ag', 'F']
  • Chemical System: Ag-F
  • Density: 4.5537794582091085
  • Atomic Density: 0.0665362944108582
  • Unit Cell Volume: 360.70538962992487
  • Molar Volume: 9.050910955175215
  • Full Formula: Ag6 F18
  • Reduced Formula: AgF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -83.00258969000001
  • Final energy per atom: -3.4584412370833335
  • 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.