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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195261

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-1195261
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 3
  • Element list: ['Ag', 'Sb', 'F']
  • Chemical System: Ag-F-Sb
  • Density: 4.119700930201005
  • Atomic Density: 0.06072068329100804
  • Unit Cell Volume: 1021.0688786695754
  • Molar Volume: 9.917775020973458
  • Full Formula: Ag6 Sb8 F48
  • Reduced Formula: Ag3Sb4F24
  • Formula Anonymous: A3B4C24
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -290.31781683
  • Final energy per atom: -4.682545432741936
  • 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.