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  1. Third-Parties
  2. MatprojStructure
  3. mp-811

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-811
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Ba', 'Pt']
  • Chemical System: Ba-Pt
  • Density: 15.43776264104287
  • Atomic Density: 0.05012911992175619
  • Unit Cell Volume: 119.69091038033527
  • Molar Volume: 12.013258500048734
  • Full Formula: Ba1 Pt5
  • Reduced Formula: BaPt5
  • Formula Anonymous: AB5
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -35.11389427
  • Final energy per atom: -5.852315711666667
  • 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.