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  1. Third-Parties
  2. MatprojStructure
  3. mp-14501

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-14501
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ba', 'As', 'Pt']
  • Chemical System: As-Ba-Pt
  • Density: 9.949197857826224
  • Atomic Density: 0.04820609544448095
  • Unit Cell Volume: 456.3738215499623
  • Molar Volume: 12.492488147968158
  • Full Formula: Ba2 As12 Pt8
  • Reduced Formula: Ba(As3Pt2)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -122.91456311
  • Final energy per atom: -5.587025595909091
  • 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.