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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204035

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-1204035
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 2
  • Element list: ['W', 'I']
  • Chemical System: I-W
  • Density: 5.491112112864985
  • Atomic Density: 0.02350614110639574
  • Unit Cell Volume: 2637.6086027634087
  • Molar Volume: 25.619435928432534
  • Full Formula: W15 I47
  • Reduced Formula: W15I47
  • Formula Anonymous: A15B47
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -292.64129747
  • Final energy per atom: -4.720020926935484
  • 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.