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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189372

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-1189372
  • 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: 18
  • Number of elements: 4
  • Element list: ['Te', 'H', 'N', 'F']
  • Chemical System: F-H-N-Te
  • Density: 3.0728572450423917
  • Atomic Density: 0.06979732700125132
  • Unit Cell Volume: 257.889532068718
  • Molar Volume: 8.6280392369353
  • Full Formula: Te2 H4 N2 F10
  • Reduced Formula: TeH2NF5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -85.63218075
  • Final energy per atom: -4.7573433750000005
  • 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.