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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227090

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-1227090
  • 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: 23
  • Number of elements: 3
  • Element list: ['Ca', 'Dy', 'Se']
  • Chemical System: Ca-Dy-Se
  • Density: 4.757830823402459
  • Atomic Density: 0.037536284100652115
  • Unit Cell Volume: 612.7404603590056
  • Molar Volume: 16.043518702735355
  • Full Formula: Ca8 Dy3 Se12
  • Reduced Formula: Ca8(DySe4)3
  • Formula Anonymous: A3B8C12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -122.06853785
  • Final energy per atom: -5.307327732608695
  • 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.