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  1. Third-Parties
  2. MatprojStructure
  3. mp-13803

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-13803
  • 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: 22
  • Number of elements: 3
  • Element list: ['Nb', 'Hg', 'O']
  • Chemical System: Hg-Nb-O
  • Density: 7.668917850738632
  • Atomic Density: 0.07267877612901581
  • Unit Cell Volume: 302.70185013774415
  • Molar Volume: 8.285968862917821
  • Full Formula: Nb4 Hg4 O14
  • Reduced Formula: Nb2Hg2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -158.39934513
  • Final energy per atom: -7.199970233181818
  • 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.