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  1. Third-Parties
  2. MatprojStructure
  3. mp-680189

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-680189
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['Y', 'B', 'C', 'I']
  • Chemical System: B-C-I-Y
  • Density: 4.70540759128399
  • Atomic Density: 0.03868366962771522
  • Unit Cell Volume: 3102.084190948241
  • Molar Volume: 15.567656372717522
  • Full Formula: Y42 B14 C28 I36
  • Reduced Formula: Y21B7(C7I9)2
  • Formula Anonymous: A7B14C18D21
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -801.0294558
  • Final energy per atom: -6.675245465000001
  • 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.