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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103749

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-1103749
  • 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: 13
  • Number of elements: 3
  • Element list: ['Sc', 'Cr', 'Ge']
  • Chemical System: Cr-Ge-Sc
  • Density: 7.169097016517239
  • Atomic Density: 0.0707962296019005
  • Unit Cell Volume: 183.62559804528092
  • Molar Volume: 8.506301527445096
  • Full Formula: Sc1 Cr6 Ge6
  • Reduced Formula: Sc(CrGe)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -94.55458975
  • Final energy per atom: -7.273429980769231
  • 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.