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  1. Third-Parties
  2. MatprojStructure
  3. mp-1183615

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-1183615
  • 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: 2
  • Number of elements: 2
  • Element list: ['Ca', 'Np']
  • Chemical System: Ca-Np
  • Density: 7.377399028961502
  • Atomic Density: 0.03206875710842922
  • Unit Cell Volume: 62.365996700081126
  • Molar Volume: 18.7788405382792
  • Full Formula: Ca1 Np1
  • Reduced Formula: CaNp
  • Formula Anonymous: AB
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -13.47733525
  • Final energy per atom: -6.738667625
  • 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.