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  1. Third-Parties
  2. MatprojStructure
  3. mp-568511

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-568511
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 3
  • Element list: ['Ca', 'B', 'Rh']
  • Chemical System: B-Ca-Rh
  • Density: 7.463903872560195
  • Atomic Density: 0.07401158509255769
  • Unit Cell Volume: 553.9673275302247
  • Molar Volume: 8.1367542020196
  • Full Formula: Ca7 B14 Rh20
  • Reduced Formula: Ca7(B7Rh10)2
  • Formula Anonymous: A7B14C20
  • Spacegroup Number: 69
  • Spacegroup Symbol: Fmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -280.18377174
  • Final energy per atom: -6.833750530243902
  • 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.