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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227231

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-1227231
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'Ge']
  • Chemical System: Be-Ca-Ge
  • Density: 3.4273029076482624
  • Atomic Density: 0.05086585809297753
  • Unit Cell Volume: 58.97865704961293
  • Molar Volume: 11.839259152951177
  • Full Formula: Ca1 Be1 Ge1
  • Reduced Formula: CaBeGe
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -11.55890512
  • Final energy per atom: -3.8529683733333333
  • 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.