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  1. Third-Parties
  2. MatprojStructure
  3. mp-11176

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-11176
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 3
  • Element list: ['Ca', 'Si', 'Ir']
  • Chemical System: Ca-Ir-Si
  • Density: 7.954887782339414
  • Atomic Density: 0.05262001606578902
  • Unit Cell Volume: 209.04592629251715
  • Molar Volume: 11.444581758528393
  • Full Formula: Ca3 Si4 Ir4
  • Reduced Formula: Ca3(SiIr)4
  • Formula Anonymous: A3B4C4
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -72.72167756
  • Final energy per atom: -6.611061596363637
  • 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.