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  1. Third-Parties
  2. MatprojStructure
  3. mp-650538

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-650538
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['W', 'C', 'Br', 'O']
  • Chemical System: Br-C-O-W
  • Density: 3.430385505002606
  • Atomic Density: 0.04677166205003751
  • Unit Cell Volume: 1710.4373993469374
  • Molar Volume: 12.875618475044487
  • Full Formula: W8 C28 Br16 O28
  • Reduced Formula: W2C7Br4O7
  • Formula Anonymous: A2B4C7D7
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -588.14018097
  • Final energy per atom: -7.351752262124999
  • 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.