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  1. Third-Parties
  2. MatprojStructure
  3. mp-554027

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-554027
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Y', 'C', 'I', 'O']
  • Chemical System: C-I-O-Y
  • Density: 4.728030935933284
  • Atomic Density: 0.03371214647589942
  • Unit Cell Volume: 1008.5385700464478
  • Molar Volume: 17.863415384437733
  • Full Formula: Y14 C6 I12 O2
  • Reduced Formula: Y7C3I6O
  • Formula Anonymous: AB3C6D7
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -218.76482797
  • Final energy per atom: -6.4342596461764705
  • 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.