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  1. Third-Parties
  2. MatprojStructure
  3. mp-1008505

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-1008505
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ba', 'Pd']
  • Chemical System: Ba-Pd
  • Density: 6.33295712915724
  • Atomic Density: 0.03129306967635299
  • Unit Cell Volume: 127.82382940918869
  • Molar Volume: 19.244327329609046
  • Full Formula: Ba2 Pd2
  • Reduced Formula: BaPd
  • Formula Anonymous: AB
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -16.37222405
  • Final energy per atom: -4.0930560125
  • 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.