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  1. Third-Parties
  2. MatprojStructure
  3. mp-721077

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-721077
  • 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: 192
  • Number of elements: 5
  • Element list: ['Cs', 'Fe', 'H', 'Se', 'O']
  • Chemical System: Cs-Fe-H-O-Se
  • Density: 2.2001358385769088
  • Atomic Density: 0.09205735542708064
  • Unit Cell Volume: 2085.656264067728
  • Molar Volume: 6.541726874578952
  • Full Formula: Cs4 Fe4 H96 Se8 O80
  • Reduced Formula: CsFeH24(SeO10)2
  • Formula Anonymous: ABC2D20E24
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1040.85065007
  • Final energy per atom: -5.42109713578125
  • 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.