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  1. Third-Parties
  2. MatprojStructure
  3. mp-17964

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-17964
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Na', 'Ge', 'Se']
  • Chemical System: Ge-Na-Se
  • Density: 3.7931468427198767
  • Atomic Density: 0.0350793331455822
  • Unit Cell Volume: 1026.2452781128122
  • Molar Volume: 17.16720421966862
  • Full Formula: Na8 Ge8 Se20
  • Reduced Formula: Na2Ge2Se5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -148.7118279
  • Final energy per atom: -4.130884108333333
  • 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.