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  1. Third-Parties
  2. MatprojStructure
  3. mp-4363

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-4363
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Ca', 'Sn', 'Rh']
  • Chemical System: Ca-Rh-Sn
  • Density: 7.226292400553128
  • Atomic Density: 0.04194308093648943
  • Unit Cell Volume: 953.6733856191523
  • Molar Volume: 14.357888418160737
  • Full Formula: Ca6 Sn26 Rh8
  • Reduced Formula: Ca3Sn13Rh4
  • Formula Anonymous: A3B4C13
  • Spacegroup Number: 223
  • Spacegroup Symbol: Pm-3n
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -195.3182753
  • Final energy per atom: -4.8829568825
  • 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.