Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1221082

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-1221082
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Rb', 'Cu', 'Ge', 'S']
  • Chemical System: Cu-Ge-Rb-S
  • Density: 3.437645460367756
  • Atomic Density: 0.03847054240236084
  • Unit Cell Volume: 1403.6713970709743
  • Molar Volume: 15.65390135916159
  • Full Formula: Rb8 Cu16 Ge6 S24
  • Reduced Formula: Rb4Cu8(GeS4)3
  • Formula Anonymous: A3B4C8D12
  • Spacegroup Number: 120
  • Spacegroup Symbol: I-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -240.88192449
  • Final energy per atom: -4.460776379444444
  • 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.