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  1. Third-Parties
  2. MatprojStructure
  3. mp-561015

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-561015
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Y', 'C', 'I', 'O']
  • Chemical System: C-I-O-Y
  • Density: 4.874913019305501
  • Atomic Density: 0.03436482674470815
  • Unit Cell Volume: 1280.3789271766248
  • Molar Volume: 17.52414119453505
  • Full Formula: Y18 C8 I16 O2
  • Reduced Formula: Y9C4I8O
  • Formula Anonymous: AB4C8D9
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -279.22466267000004
  • Final energy per atom: -6.346015060681819
  • 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.