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  1. Third-Parties
  2. MatprojStructure
  3. mp-8983

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-8983
  • 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: ['Ca', 'Si', 'Pt']
  • Chemical System: Ca-Pt-Si
  • Density: 7.677790803474808
  • Atomic Density: 0.05269193852971507
  • Unit Cell Volume: 227.7388218167894
  • Molar Volume: 11.428960345810538
  • Full Formula: Ca4 Si4 Pt4
  • Reduced Formula: CaSiPt
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -64.98631227999999
  • Final energy per atom: -5.415526023333332
  • 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.