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  1. Third-Parties
  2. MatprojStructure
  3. mp-569202

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-569202
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'Sb']
  • Chemical System: Ca-Mg-Sb
  • Density: 4.143336079449503
  • Atomic Density: 0.033909956122786834
  • Unit Cell Volume: 2477.148590102528
  • Molar Volume: 17.759211301229723
  • Full Formula: Ca40 Mg8 Sb36
  • Reduced Formula: Ca10Mg2Sb9
  • Formula Anonymous: A2B9C10
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -326.42701069
  • Final energy per atom: -3.886035841547619
  • 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.