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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215774

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-1215774
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Zr', 'Ge', 'As']
  • Chemical System: As-Ge-Zr
  • Density: 6.8618930738297985
  • Atomic Density: 0.05158818923938481
  • Unit Cell Volume: 697.8341463575917
  • Molar Volume: 11.673487379166273
  • Full Formula: Zr12 Ge4 As20
  • Reduced Formula: Zr3GeAs5
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -243.47673205
  • Final energy per atom: -6.763242556944444
  • 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.