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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194880

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-1194880
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 2
  • Element list: ['W', 'I']
  • Chemical System: I-W
  • Density: 5.558370131342875
  • Atomic Density: 0.023831095406602325
  • Unit Cell Volume: 3524.806500364565
  • Molar Volume: 25.27009630590286
  • Full Formula: W20 I64
  • Reduced Formula: W5I16
  • Formula Anonymous: A5B16
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -393.40886124
  • Final energy per atom: -4.683438824285714
  • 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.