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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197663

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-1197663
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Sc', 'Cr', 'Ge']
  • Chemical System: Cr-Ge-Sc
  • Density: 6.189538169676538
  • Atomic Density: 0.061551352857633135
  • Unit Cell Volume: 779.8366367514764
  • Molar Volume: 9.783929159004957
  • Full Formula: Sc12 Cr12 Ge24
  • Reduced Formula: ScCrGe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -325.73952097
  • Final energy per atom: -6.786240020208333
  • 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.