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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227912

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-1227912
  • 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: 66
  • Number of elements: 3
  • Element list: ['Ca', 'Cd', 'Au']
  • Chemical System: Au-Ca-Cd
  • Density: 6.440568030494615
  • Atomic Density: 0.03935701462610501
  • Unit Cell Volume: 1676.9564619421878
  • Molar Volume: 15.301314942738541
  • Full Formula: Ca22 Cd36 Au8
  • Reduced Formula: Ca11(Cd9Au2)2
  • Formula Anonymous: A4B11C18
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -131.83834594
  • Final energy per atom: -1.9975506960606062
  • 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.