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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198193

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-1198193
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 182
  • Number of elements: 5
  • Element list: ['Nb', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-Nb-O
  • Density: 1.9857273983020798
  • Atomic Density: 0.10493153577291979
  • Unit Cell Volume: 1734.464273865795
  • Molar Volume: 5.739114285940113
  • Full Formula: Nb10 H100 C24 N6 O42
  • Reduced Formula: Nb5H50C12(NO7)3
  • Formula Anonymous: A3B5C12D21E50
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1103.90698831
  • Final energy per atom: -6.0654230126923085
  • 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.