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  1. Third-Parties
  2. MatprojStructure
  3. mp-696482

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-696482
  • 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: 24
  • Number of elements: 4
  • Element list: ['H', 'Se', 'N', 'O']
  • Chemical System: H-N-O-Se
  • Density: 2.171172954268737
  • Atomic Density: 0.0657949143065751
  • Unit Cell Volume: 364.7698344612268
  • Molar Volume: 9.152897033864194
  • Full Formula: H6 Se3 N3 O12
  • Reduced Formula: H2SeNO4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -131.73487868
  • Final energy per atom: -5.488953278333334
  • 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.