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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199846

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-1199846
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Ag', 'Sb', 'I', 'F']
  • Chemical System: Ag-F-I-Sb
  • Density: 3.6581843738680955
  • Atomic Density: 0.06049850910598431
  • Unit Cell Volume: 958.7013111082242
  • Molar Volume: 9.954196969465997
  • Full Formula: Ag2 Sb6 I2 F48
  • Reduced Formula: AgSb3IF24
  • Formula Anonymous: ABC3D24
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -256.55839506
  • Final energy per atom: -4.423420604482759
  • 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.