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  1. Third-Parties
  2. MatprojStructure
  3. mp-569209

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-569209
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sb', 'As', 'P', 'Cl']
  • Chemical System: As-Cl-P-Sb
  • Density: 2.1442577005254466
  • Atomic Density: 0.030006541139007983
  • Unit Cell Volume: 1066.4341435341428
  • Molar Volume: 20.069426636352034
  • Full Formula: Sb2 As2 P2 Cl26
  • Reduced Formula: SbAsPCl13
  • Formula Anonymous: ABCD13
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -114.59359663
  • Final energy per atom: -3.5810498946875
  • 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.