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  1. Third-Parties
  2. MatprojStructure
  3. mp-1065933

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-1065933
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Y', 'I']
  • Chemical System: I-Y
  • Density: 4.773036068056478
  • Atomic Density: 0.026638109858996853
  • Unit Cell Volume: 150.1608042452391
  • Molar Volume: 22.607237494990887
  • Full Formula: Y2 I2
  • Reduced Formula: YI
  • Formula Anonymous: AB
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -20.18700698
  • Final energy per atom: -5.046751745
  • 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.