Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199720

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-1199720
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 6
  • Element list: ['Ge', 'Sb', 'H', 'C', 'S', 'N']
  • Chemical System: C-Ge-H-N-S-Sb
  • Density: 2.2879625861931845
  • Atomic Density: 0.07110167822998212
  • Unit Cell Volume: 1743.9813389343003
  • Molar Volume: 8.469758956351312
  • Full Formula: Ge4 Sb8 H64 C16 S24 N8
  • Reduced Formula: GeSb2H16C4(S3N)2
  • Formula Anonymous: AB2C2D4E6F16
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -626.48967282
  • Final energy per atom: -5.052336071129032
  • 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.