Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-579963

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-579963
  • 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: 120
  • Number of elements: 2
  • Element list: ['Cr', 'Ge']
  • Chemical System: Cr-Ge
  • Density: 7.352498138779182
  • Atomic Density: 0.06804578282419795
  • Unit Cell Volume: 1763.5185461827984
  • Molar Volume: 8.850130764986146
  • Full Formula: Cr44 Ge76
  • Reduced Formula: Cr11Ge19
  • Formula Anonymous: A11B19
  • Spacegroup Number: 118
  • Spacegroup Symbol: P-4n2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -777.4264509
  • Final energy per atom: -6.478553757499999
  • 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.