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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227454

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-1227454
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Rh']
  • Chemical System: Ca-P-Rh
  • Density: 7.971723519715902
  • Atomic Density: 0.06742302334610244
  • Unit Cell Volume: 815.7450863285771
  • Molar Volume: 8.931875880270987
  • Full Formula: Ca6 P19 Rh30
  • Reduced Formula: Ca6P19Rh30
  • Formula Anonymous: A6B19C30
  • Spacegroup Number: 143
  • Spacegroup Symbol: P3
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -384.1705119
  • Final energy per atom: -6.984918398181819
  • 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.