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  1. Third-Parties
  2. MatprojStructure
  3. mp-705040

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-705040
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Bi', 'W', 'C', 'O']
  • Chemical System: Bi-C-O-W
  • Density: 3.5378592444859884
  • Atomic Density: 0.05366110321668264
  • Unit Cell Volume: 1304.4830576319157
  • Molar Volume: 11.222543702992272
  • Full Formula: Bi4 W6 C30 O30
  • Reduced Formula: Bi2W3(CO)15
  • Formula Anonymous: A2B3C15D15
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -567.45281151
  • Final energy per atom: -8.106468735857142
  • 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.