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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192837

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-1192837
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Al', 'Sb', 'Se', 'Cl']
  • Chemical System: Al-Cl-Sb-Se
  • Density: 3.9065131161403293
  • Atomic Density: 0.030099413421886493
  • Unit Cell Volume: 996.6971641442618
  • Molar Volume: 20.007502058565237
  • Full Formula: Al2 Sb10 Se10 Cl8
  • Reduced Formula: AlSb5Se5Cl4
  • Formula Anonymous: AB4C5D5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -127.32830164
  • Final energy per atom: -4.244276721333334
  • 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.