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  1. Third-Parties
  2. MatprojStructure
  3. mp-570177

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-570177
  • 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: 140
  • Number of elements: 5
  • Element list: ['Te', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Te
  • Density: 1.5446428187350096
  • Atomic Density: 0.07069131830129069
  • Unit Cell Volume: 1980.4412106634015
  • Molar Volume: 8.518925526799869
  • Full Formula: Te4 H80 C24 N8 Cl24
  • Reduced Formula: TeH20C6(NCl3)2
  • Formula Anonymous: AB2C6D6E20
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -681.8846882100001
  • Final energy per atom: -4.870604915785715
  • 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.