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  1. Third-Parties
  2. MatprojStructure
  3. mp-1071127

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-1071127
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Ge', 'Pd']
  • Chemical System: Ca-Ge-Pd
  • Density: 6.788948330148964
  • Atomic Density: 0.05196502423947919
  • Unit Cell Volume: 115.46227655642355
  • Molar Volume: 11.588834698213844
  • Full Formula: Ca2 Ge1 Pd3
  • Reduced Formula: Ca2GePd3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -28.92245687
  • Final energy per atom: -4.8204094783333336
  • 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.