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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200260

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-1200260
  • 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: 72
  • Number of elements: 5
  • Element list: ['Sb', 'As', 'H', 'C', 'F']
  • Chemical System: As-C-F-H-Sb
  • Density: 2.747267413857982
  • Atomic Density: 0.07862951831346122
  • Unit Cell Volume: 915.6866472584474
  • Molar Volume: 7.6588803914483865
  • Full Formula: Sb4 As4 H24 C8 F32
  • Reduced Formula: SbAsH6(CF4)2
  • Formula Anonymous: ABC2D6E8
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -360.48879328
  • Final energy per atom: -5.006788795555555
  • 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.