Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-721293

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-721293
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 5
  • Element list: ['Na', 'Ge', 'H', 'Se', 'O']
  • Chemical System: Ge-H-Na-O-Se
  • Density: 2.1378741677671886
  • Atomic Density: 0.08961998930551282
  • Unit Cell Volume: 569.0694720587611
  • Molar Volume: 6.7196401234446
  • Full Formula: Na4 Ge1 H28 Se4 O14
  • Reduced Formula: Na4GeH28(Se2O7)2
  • Formula Anonymous: AB4C4D14E28
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -250.78725229
  • Final energy per atom: -4.91739710372549
  • 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.