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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210654

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-1210654
  • 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: 99
  • Number of elements: 4
  • Element list: ['Na', 'Ca', 'Si', 'O']
  • Chemical System: Ca-Na-O-Si
  • Density: 2.7747394131267598
  • Atomic Density: 0.07535578031754275
  • Unit Cell Volume: 1313.7678301893038
  • Molar Volume: 7.991610908444207
  • Full Formula: Na15 Ca12 Si18 O54
  • Reduced Formula: Na5Ca4(SiO3)6
  • Formula Anonymous: A4B5C6D18
  • Spacegroup Number: 144
  • Spacegroup Symbol: P3_1
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -707.60143178
  • Final energy per atom: -7.14748920989899
  • 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.