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  1. Third-Parties
  2. MatprojStructure
  3. mp-22437

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-22437
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 2
  • Element list: ['Re', 'P']
  • Chemical System: P-Re
  • Density: 8.378985068275094
  • Atomic Density: 0.06307839670213619
  • Unit Cell Volume: 602.4249503271395
  • Molar Volume: 9.547073284752743
  • Full Formula: Re12 P26
  • Reduced Formula: Re6P13
  • Formula Anonymous: A6B13
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -303.95442878
  • Final energy per atom: -7.998800757368421
  • 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.