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  1. Third-Parties
  2. MatprojStructure
  3. mp-1207585

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-1207585
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 4
  • Element list: ['Zn', 'Cu', 'B', 'Rh']
  • Chemical System: B-Cu-Rh-Zn
  • Density: 9.582237500330548
  • Atomic Density: 0.08037524793977723
  • Unit Cell Volume: 920.681452273043
  • Molar Volume: 7.492531487445253
  • Full Formula: Zn20 Cu2 B16 Rh36
  • Reduced Formula: Zn10Cu(B4Rh9)2
  • Formula Anonymous: AB8C10D18
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -435.00403939
  • Final energy per atom: -5.87843296472973
  • 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.