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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222204

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-1222204
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 4
  • Element list: ['Na', 'As', 'H', 'O']
  • Chemical System: As-H-Na-O
  • Density: 3.3396548224098535
  • Atomic Density: 0.08748871073171736
  • Unit Cell Volume: 1188.724798093256
  • Molar Volume: 6.883334672134774
  • Full Formula: Na12 As16 H20 O56
  • Reduced Formula: Na3As4H5O14
  • Formula Anonymous: A3B4C5D14
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -611.73434304
  • Final energy per atom: -5.882060990769231
  • 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.