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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196740

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-1196740
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Cs', 'H', 'N', 'F']
  • Chemical System: Cs-F-H-N
  • Density: 3.017481313407729
  • Atomic Density: 0.07631761387328304
  • Unit Cell Volume: 576.5379414646943
  • Molar Volume: 7.890892356775068
  • Full Formula: Cs6 H24 N8 F6
  • Reduced Formula: Cs3H12N4F3
  • Formula Anonymous: A3B3C4D12
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -212.77444117
  • Final energy per atom: -4.835782753863636
  • 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.