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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212753

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-1212753
  • 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: 35
  • Number of elements: 5
  • Element list: ['Fe', 'Ni', 'H', 'Se', 'O']
  • Chemical System: Fe-H-Ni-O-Se
  • Density: 4.015048475119342
  • Atomic Density: 0.07795786275291969
  • Unit Cell Volume: 448.9604866532744
  • Molar Volume: 7.724866418011771
  • Full Formula: Fe2 Ni3 H4 Se6 O20
  • Reduced Formula: Fe2Ni3H4(Se3O10)2
  • Formula Anonymous: A2B3C4D6E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -214.62108827
  • Final energy per atom: -6.132031093428571
  • 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.