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  1. Third-Parties
  2. MatprojStructure
  3. mp-29593

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-29593
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 3
  • Element list: ['Re', 'P', 'Cl']
  • Chemical System: Cl-P-Re
  • Density: 2.5144961214041732
  • Atomic Density: 0.03336380543902305
  • Unit Cell Volume: 3476.8216177260106
  • Molar Volume: 18.049921706342197
  • Full Formula: Re8 P12 Cl96
  • Reduced Formula: Re2(PCl8)3
  • Formula Anonymous: A2B3C24
  • Spacegroup Number: 135
  • Spacegroup Symbol: P4_2/mbc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -473.5425834900001
  • Final energy per atom: -4.082263650775863
  • 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.