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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020009

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-1020009
  • 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: 78
  • Number of elements: 4
  • Element list: ['Li', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Li-O-Si
  • Density: 2.735173646572462
  • Atomic Density: 0.0816654802692869
  • Unit Cell Volume: 955.1159160859619
  • Molar Volume: 7.374157036905142
  • Full Formula: Li12 Ca12 Si12 O42
  • Reduced Formula: Li2Ca2Si2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 178
  • Spacegroup Symbol: P6_122
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -569.4373305800001
  • Final energy per atom: -7.300478597179488
  • 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.