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  1. Third-Parties
  2. MatprojStructure
  3. mp-722267

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-722267
  • 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: 34
  • Number of elements: 4
  • Element list: ['Na', 'H', 'Se', 'O']
  • Chemical System: H-Na-O-Se
  • Density: 2.817247676910095
  • Atomic Density: 0.07947266280689826
  • Unit Cell Volume: 427.8200679221332
  • Molar Volume: 7.577625496999549
  • Full Formula: Na5 H7 Se4 O18
  • Reduced Formula: Na5H7(Se2O9)2
  • Formula Anonymous: A4B5C7D18
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -183.84940116
  • Final energy per atom: -5.407335328235295
  • 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.