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  1. Third-Parties
  2. MatprojStructure
  3. mp-17244

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-17244
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Ba', 'Zn', 'Ge', 'S', 'O']
  • Chemical System: Ba-Ge-O-S-Zn
  • Density: 3.7155801254349536
  • Atomic Density: 0.038704975915486134
  • Unit Cell Volume: 620.0753115673024
  • Molar Volume: 15.559086700246462
  • Full Formula: Ba4 Zn2 Ge4 S12 O2
  • Reduced Formula: Ba2ZnGe2S6O
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -126.08635317
  • Final energy per atom: -5.25359804875
  • 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.