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  1. Third-Parties
  2. MatprojStructure
  3. mp-707391

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-707391
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 176
  • Number of elements: 5
  • Element list: ['Na', 'As', 'H', 'Se', 'O']
  • Chemical System: As-H-Na-O-Se
  • Density: 1.898755313895977
  • Atomic Density: 0.10330341224368925
  • Unit Cell Volume: 1703.7191335444174
  • Molar Volume: 5.829566157789612
  • Full Formula: Na12 As4 H96 Se4 O60
  • Reduced Formula: Na3AsH24SeO15
  • Formula Anonymous: ABC3D15E24
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -909.54670156
  • Final energy per atom: -5.167878986136364
  • 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.