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  1. Third-Parties
  2. MatprojStructure
  3. mp-12611

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-12611
  • 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: 11
  • Number of elements: 2
  • Element list: ['Ca', 'Ga']
  • Chemical System: Ca-Ga
  • Density: 4.644647542171364
  • Atomic Density: 0.04537902152764539
  • Unit Cell Volume: 242.4027585808275
  • Molar Volume: 13.270759388964011
  • Full Formula: Ca3 Ga8
  • Reduced Formula: Ca3Ga8
  • Formula Anonymous: A3B8
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -35.04959762
  • Final energy per atom: -3.1863270563636363
  • 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.