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  1. Third-Parties
  2. MatprojStructure
  3. mp-1190476

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-1190476
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'Ge', 'Se']
  • Chemical System: Ge-Na-Se-Zn
  • Density: 4.031300660981383
  • Atomic Density: 0.036560408894780606
  • Unit Cell Volume: 601.7438170156992
  • Molar Volume: 16.471754397855563
  • Full Formula: Na4 Zn2 Ge4 Se12
  • Reduced Formula: Na2Zn(GeSe3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -87.52605398
  • Final energy per atom: -3.978456999090909
  • 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.