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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028128

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-1028128
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'Sb']
  • Chemical System: Ca-Mg-Sb
  • Density: 2.181913889512749
  • Atomic Density: 0.041870808904492886
  • Unit Cell Volume: 382.1277978291731
  • Molar Volume: 14.382671167725642
  • Full Formula: Ca1 Mg14 Sb1
  • Reduced Formula: CaMg14Sb
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -29.00524757
  • Final energy per atom: -1.812827973125
  • 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.