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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210198

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-1210198
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Na', 'Co', 'Se', 'O']
  • Chemical System: Co-Na-O-Se
  • Density: 3.980368935068213
  • Atomic Density: 0.07002525309861228
  • Unit Cell Volume: 685.4669976330473
  • Molar Volume: 8.599955721001662
  • Full Formula: Na4 Co8 Se8 O28
  • Reduced Formula: NaCo2Se2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -295.70648944000004
  • Final energy per atom: -6.1605518633333345
  • 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.