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  1. Third-Parties
  2. MatprojStructure
  3. mp-20257

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-20257
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['As', 'Pd', 'Pb']
  • Chemical System: As-Pb-Pd
  • Density: 10.786147714415653
  • Atomic Density: 0.048199736291410035
  • Unit Cell Volume: 248.9640177168063
  • Molar Volume: 12.494136323881179
  • Full Formula: As2 Pd6 Pb4
  • Reduced Formula: AsPd3Pb2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -59.2549591
  • Final energy per atom: -4.937913258333333
  • 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.