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{
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{
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{
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"structure_string": "La6 Zn4 Pd13\n1.0\n-4.892761 4.892761 4.892761\n4.892761 -4.892761 4.892761\n4.892761 4.892761 -4.892761\nLa Zn Pd\n6 4 13\ndirect\n0.695674 0.695674 0.000000 La\n0.304326 0.000000 0.304326 La\n0.000000 0.304326 0.304326 La\n0.304326 0.304326 0.000000 La\n0.695674 0.000000 0.695674 La\n0.000000 0.695674 0.695674 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.329950 0.329950 0.659901 Pd\n0.670050 0.000000 0.329950 Pd\n0.000000 0.670050 0.329950 Pd\n0.670050 0.329950 0.000000 Pd\n0.329950 0.659901 0.329950 Pd\n0.000000 0.329950 0.670050 Pd\n0.329950 0.670050 0.000000 Pd\n0.329950 0.000000 0.670050 Pd\n0.659901 0.329950 0.329950 Pd\n0.670050 0.670050 0.340099 Pd\n0.670050 0.340099 0.670050 Pd\n0.340099 0.670050 0.670050 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
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{
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{
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"id": "mp-90",
"created_at": "2022-09-04T14:44:19.817111Z",
"structure_string": "Cr2\n1.0\n-1.173244 2.032119 1.659521\n-1.173530 -2.032119 1.659319\n2.346632 0.000247 1.659320\nCr\n2\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cr"
],
"chemical_system": "Cr",
"density": 7.274080970886649,
"density_atomic": 0.08424774073719975,
"volume": 23.73950900640468,
"volume_molar": 7.148133240492837,
"formula_full": "Cr2",
"formula_reduced": "Cr",
"formula_anonymous": "A",
"energy": -19.30609494,
"energy_per_atom": -9.65304747,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.30609494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.493000Z",
"spacegroup": 229
}
]
}