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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228287

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-1228287
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 2
  • Element list: ['Ba', 'Cd']
  • Chemical System: Ba-Cd
  • Density: 6.884911549340612
  • Atomic Density: 0.03543728779191939
  • Unit Cell Volume: 1072.3168269289777
  • Molar Volume: 16.993797029165428
  • Full Formula: Ba7 Cd31
  • Reduced Formula: Ba7Cd31
  • Formula Anonymous: A7B31
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -51.02130933
  • Final energy per atom: -1.342666035
  • 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.