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  1. Third-Parties
  2. MatprojStructure
  3. mp-683925

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-683925
  • 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: 160
  • Number of elements: 3
  • Element list: ['Cs', 'Sb', 'F']
  • Chemical System: Cs-F-Sb
  • Density: 3.6784840190508916
  • Atomic Density: 0.05523175234309556
  • Unit Cell Volume: 2896.8843683628183
  • Molar Volume: 10.903403394827864
  • Full Formula: Cs8 Sb24 F128
  • Reduced Formula: CsSb3F16
  • Formula Anonymous: AB3C16
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -787.31176779
  • Final energy per atom: -4.9206985486875
  • 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.