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  1. Third-Parties
  2. MatprojStructure
  3. mp-1097440

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-1097440
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ca', 'Sc', 'Rh']
  • Chemical System: Ca-Rh-Sc
  • Density: 0.5111101673100065
  • Atomic Density: 0.0042331527841500535
  • Unit Cell Volume: 944.9221901408724
  • Molar Volume: 142.26136090689545
  • Full Formula: Ca1 Sc1 Rh2
  • Reduced Formula: CaScRh2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -16.66854802
  • Final energy per atom: -4.167137005
  • 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.