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  1. Third-Parties
  2. MatprojStructure
  3. mp-579614

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-579614
  • 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: 94
  • Number of elements: 4
  • Element list: ['Y', 'B', 'C', 'I']
  • Chemical System: B-C-I-Y
  • Density: 4.105252751723612
  • Atomic Density: 0.02924618397233488
  • Unit Cell Volume: 3214.0945324326176
  • Molar Volume: 20.591201798144265
  • Full Formula: Y32 B8 C16 I38
  • Reduced Formula: Y16B4C8I19
  • Formula Anonymous: A4B8C16D19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -580.3115798700001
  • Final energy per atom: -6.173527445425533
  • 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.