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  1. Third-Parties
  2. MatprojStructure
  3. mp-697551

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-697551
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Na', 'Co', 'H', 'Se', 'O']
  • Chemical System: Co-H-Na-O-Se
  • Density: 3.9615702532874493
  • Atomic Density: 0.07531760017827528
  • Unit Cell Volume: 690.4096768473374
  • Molar Volume: 7.995662030847654
  • Full Formula: Na4 Co8 H4 Se8 O28
  • Reduced Formula: NaCo2HSe2O7
  • Formula Anonymous: ABC2D2E7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -317.23821632
  • Final energy per atom: -6.100734929230769
  • 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.