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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105703

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-1105703
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ce', 'Si', 'Ir']
  • Chemical System: Ce-Ir-Si
  • Density: 9.698057601410076
  • Atomic Density: 0.05856056663843638
  • Unit Cell Volume: 341.5267499627121
  • Molar Volume: 10.283610807903885
  • Full Formula: Ce4 Si10 Ir6
  • Reduced Formula: Ce2Si5Ir3
  • Formula Anonymous: A2B3C5
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -150.10018419
  • Final energy per atom: -7.5050092095
  • 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.