Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-672676

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-672676
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['U', 'W', 'C']
  • Chemical System: C-U-W
  • Density: 15.289247501011532
  • Atomic Density: 0.08112789110262655
  • Unit Cell Volume: 221.87190811147858
  • Molar Volume: 7.423021451872832
  • Full Formula: U2 W8 C8
  • Reduced Formula: U(WC)4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -202.33432205000005
  • Final energy per atom: -11.240795669444447
  • 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.