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  1. Third-Parties
  2. MatprojStructure
  3. mp-557736

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-557736
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Te', 'W', 'N', 'Cl', 'F']
  • Chemical System: Cl-F-N-Te-W
  • Density: 3.2479892611636214
  • Atomic Density: 0.04174617757062355
  • Unit Cell Volume: 574.902934751291
  • Molar Volume: 14.42560998503904
  • Full Formula: Te2 W2 N2 Cl8 F10
  • Reduced Formula: TeWNCl4F5
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -120.15555471
  • Final energy per atom: -5.0064814462500005
  • 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.