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  1. Third-Parties
  2. MatprojStructure
  3. mp-29910

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-29910
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sr', 'I', 'O']
  • Chemical System: I-O-Sr
  • Density: 4.673423978475914
  • Atomic Density: 0.02744768864134276
  • Unit Cell Volume: 801.5246852830718
  • Molar Volume: 21.940429442678905
  • Full Formula: Sr8 I12 O2
  • Reduced Formula: Sr4I6O
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -89.80081627999999
  • Final energy per atom: -4.081855285454545
  • 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.