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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201608

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-1201608
  • 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: 76
  • Number of elements: 5
  • Element list: ['Sb', 'As', 'Au', 'Xe', 'F']
  • Chemical System: As-Au-F-Sb-Xe
  • Density: 3.769403311312614
  • Atomic Density: 0.0472562376538652
  • Unit Cell Volume: 1608.2532967747545
  • Molar Volume: 12.74358911962056
  • Full Formula: Sb8 As4 Au4 Xe4 F56
  • Reduced Formula: Sb2AsAuXeF14
  • Formula Anonymous: ABCD2E14
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -345.59713307000004
  • Final energy per atom: -4.547330698289474
  • 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.