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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220816

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-1220816
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'Cu', 'S']
  • Chemical System: Cu-Nb-S-V
  • Density: 3.958006706194744
  • Atomic Density: 0.04932044364625185
  • Unit Cell Volume: 811.0227127496619
  • Molar Volume: 12.210232339338777
  • Full Formula: Nb2 V3 Cu15 S20
  • Reduced Formula: Nb2V3(Cu3S4)5
  • Formula Anonymous: A2B3C15D20
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -225.73618937
  • Final energy per atom: -5.64340473425
  • 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.