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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193024

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-1193024
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Cs', 'Fe', 'H', 'Cl', 'O']
  • Chemical System: Cl-Cs-Fe-H-O
  • Density: 3.0456600398247344
  • Atomic Density: 0.03902905900741314
  • Unit Cell Volume: 563.6825626726318
  • Molar Volume: 15.42988971078232
  • Full Formula: Cs4 Fe2 H4 Cl10 O2
  • Reduced Formula: Cs2FeH2Cl5O
  • Formula Anonymous: ABC2D2E5
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -98.66575332
  • Final energy per atom: -4.484806969090909
  • 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.