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  1. Third-Parties
  2. MatprojStructure
  3. mp-23961

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-23961
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 140
  • Number of elements: 5
  • Element list: ['Na', 'As', 'H', 'Se', 'O']
  • Chemical System: As-H-Na-O-Se
  • Density: 2.2611474513098626
  • Atomic Density: 0.07663891056532879
  • Unit Cell Volume: 1826.7483053619446
  • Molar Volume: 7.857811019986496
  • Full Formula: Na12 As4 H72 Se16 O36
  • Reduced Formula: Na3AsH18Se4O9
  • Formula Anonymous: AB3C4D9E18
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -679.90399364
  • Final energy per atom: -4.856457097428571
  • 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.