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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197129

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-1197129
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 240
  • Number of elements: 5
  • Element list: ['Na', 'P', 'H', 'Se', 'O']
  • Chemical System: H-Na-O-P-Se
  • Density: 2.6070660072609053
  • Atomic Density: 0.06401607243018445
  • Unit Cell Volume: 3749.0584924862824
  • Molar Volume: 9.407232483010748
  • Full Formula: Na32 P16 H96 Se48 O48
  • Reduced Formula: Na2PH6(SeO)3
  • Formula Anonymous: AB2C3D3E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -1132.98055993
  • Final energy per atom: -4.720752333041667
  • 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.