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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201972

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-1201972
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Zr', 'Cr', 'Ge']
  • Chemical System: Cr-Ge-Zr
  • Density: 7.393696457992616
  • Atomic Density: 0.06173430209851872
  • Unit Cell Volume: 777.5255954687748
  • Molar Volume: 9.754934542532874
  • Full Formula: Zr12 Cr12 Ge24
  • Reduced Formula: ZrCrGe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -351.81823707
  • Final energy per atom: -7.3295466056250005
  • 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.