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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220612

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-1220612
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Nb', 'V', 'Fe', 'Se']
  • Chemical System: Fe-Nb-Se-V
  • Density: 5.865583513430009
  • Atomic Density: 0.04482735472992801
  • Unit Cell Volume: 624.6186099691135
  • Molar Volume: 13.434075680534075
  • Full Formula: Nb5 V1 Fe2 Se20
  • Reduced Formula: Nb5V(FeSe10)2
  • Formula Anonymous: AB2C5D20
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -172.53277659
  • Final energy per atom: -6.161884878214286
  • 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.