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  1. Third-Parties
  2. MatprojStructure
  3. mp-735131

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-735131
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Sr', 'Fe', 'H', 'O', 'F']
  • Chemical System: F-Fe-H-O-Sr
  • Density: 3.765354896277979
  • Atomic Density: 0.07788656746153987
  • Unit Cell Volume: 873.0645375221881
  • Molar Volume: 7.731937555180763
  • Full Formula: Sr8 Fe8 H8 O4 F40
  • Reduced Formula: Sr2Fe2H2OF10
  • Formula Anonymous: AB2C2D2E10
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -407.43105681
  • Final energy per atom: -5.991633188382353
  • 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.