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  1. Third-Parties
  2. MatprojStructure
  3. mp-607230

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-607230
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Ca', 'Ga', 'Rh']
  • Chemical System: Ca-Ga-Rh
  • Density: 4.99422355654112
  • Atomic Density: 0.044955352071944364
  • Unit Cell Volume: 711.8173593388559
  • Molar Volume: 13.395826041719033
  • Full Formula: Ca12 Ga12 Rh8
  • Reduced Formula: Ca3Ga3Rh2
  • Formula Anonymous: A2B3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -139.78481135
  • Final energy per atom: -4.3682753546875
  • 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.