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  1. Third-Parties
  2. MatprojStructure
  3. mp-649616

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-649616
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 3
  • Element list: ['Pd', 'Xe', 'F']
  • Chemical System: F-Pd-Xe
  • Density: 3.6956965462985805
  • Atomic Density: 0.06283452821626255
  • Unit Cell Volume: 1209.526070418239
  • Molar Volume: 9.584126643353036
  • Full Formula: Pd4 Xe8 F64
  • Reduced Formula: Pd(XeF8)2
  • Formula Anonymous: AB2C16
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -218.88960092000005
  • Final energy per atom: -2.8801263278947373
  • 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.