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  1. Third-Parties
  2. MatprojStructure
  3. mp-29363

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-29363
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Rb', 'Ga', 'P']
  • Chemical System: Ga-P-Rb
  • Density: 2.973063926688732
  • Atomic Density: 0.027681647779846986
  • Unit Cell Volume: 3468.001643669879
  • Molar Volume: 21.75499380634518
  • Full Formula: Rb48 Ga16 P32
  • Reduced Formula: Rb3GaP2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -307.15534656
  • Final energy per atom: -3.19953486
  • 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.