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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225445

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-1225445
  • 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: 22
  • Number of elements: 5
  • Element list: ['Fe', 'H', 'S', 'N', 'O']
  • Chemical System: Fe-H-N-O-S
  • Density: 2.260080208792945
  • Atomic Density: 0.09913661719851674
  • Unit Cell Volume: 221.91598444342682
  • Molar Volume: 6.074587705510394
  • Full Formula: Fe1 H8 S2 N1 O10
  • Reduced Formula: FeH8S2NO10
  • Formula Anonymous: ABC2D8E10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -132.98206816
  • Final energy per atom: -6.044639461818182
  • 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.