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  1. Third-Parties
  2. MatprojStructure
  3. mp-644827

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-644827
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Te', 'P', 'Cl']
  • Chemical System: Cl-P-Te
  • Density: 2.301297829758942
  • Atomic Density: 0.03191581512207064
  • Unit Cell Volume: 1378.6268604361237
  • Molar Volume: 18.868829566052753
  • Full Formula: Te4 P4 Cl36
  • Reduced Formula: TePCl9
  • Formula Anonymous: ABC9
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -150.14709275
  • Final energy per atom: -3.412433926136364
  • 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.