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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199327

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-1199327
  • 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: 92
  • Number of elements: 5
  • Element list: ['V', 'Te', 'H', 'N', 'O']
  • Chemical System: H-N-O-Te-V
  • Density: 2.7211722885866525
  • Atomic Density: 0.10904706934355693
  • Unit Cell Volume: 843.6723751846142
  • Molar Volume: 5.522514998570954
  • Full Formula: V4 Te4 H44 N8 O32
  • Reduced Formula: VTeH11(NO4)2
  • Formula Anonymous: ABC2D8E11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -534.48169724
  • Final energy per atom: -5.809583665652174
  • 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.