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  1. Third-Parties
  2. MatprojStructure
  3. mp-21236

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-21236
  • 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: 12
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'Pt']
  • Chemical System: Ba-P-Pt
  • Density: 8.304913027292004
  • Atomic Density: 0.041289586546169245
  • Unit Cell Volume: 290.63018072563705
  • Molar Volume: 14.585132145283543
  • Full Formula: Ba4 P4 Pt4
  • Reduced Formula: BaPPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -66.57572923
  • Final energy per atom: -5.5479774358333325
  • 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.