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  1. Third-Parties
  2. MatprojStructure
  3. mp-1093973

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-1093973
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'Pd', 'Pt']
  • Chemical System: Ba-Pd-Pt
  • Density: 0.6913780888265338
  • Atomic Density: 0.002890579438787286
  • Unit Cell Volume: 1383.8055949357201
  • Molar Volume: 208.33680192946125
  • Full Formula: Ba2 Pd1 Pt1
  • Reduced Formula: Ba2PdPt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -12.40566965
  • Final energy per atom: -3.1014174125
  • 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.