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  1. Third-Parties
  2. MatprojStructure
  3. mp-1078435

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-1078435
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Cd', 'Pt']
  • Chemical System: Ba-Cd-Pt
  • Density: 8.506716826752138
  • Atomic Density: 0.03677359104996685
  • Unit Cell Volume: 217.54742388715425
  • Molar Volume: 16.376265107797867
  • Full Formula: Ba2 Cd4 Pt2
  • Reduced Formula: BaCd2Pt
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -23.76078512
  • Final energy per atom: -2.97009814
  • 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.