Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1104755

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-1104755
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cu', 'Ni', 'Ge', 'S']
  • Chemical System: Cu-Ge-Ni-S
  • Density: 4.425200242718585
  • Atomic Density: 0.05465598085658219
  • Unit Cell Volume: 256.14763070003505
  • Molar Volume: 11.018264910115061
  • Full Formula: Cu4 Ni1 Ge2 S7
  • Reduced Formula: Cu4NiGe2S7
  • Formula Anonymous: AB2C4D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -68.32485698
  • Final energy per atom: -4.880346927142858
  • 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.