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{
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{
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"created_at": "2022-09-04T14:41:53.728475Z",
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{
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{
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{
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{
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"structure_string": "Na1 Hf1 Mg30 O31\n1.0\n8.572524 0.000000 0.000000\n0.000000 8.597320 0.000000\n0.000000 0.000000 8.598784\nNa Hf Mg O\n1 1 30 31\ndirect\n0.000000 0.000254 0.000000 Na\n0.500000 0.000105 0.500000 Hf\n0.500000 0.002226 0.000000 Mg\n0.000000 0.000098 0.500000 Mg\n0.000000 0.499627 0.000000 Mg\n0.500000 0.498554 0.000000 Mg\n0.000000 0.499917 0.500000 Mg\n0.500000 0.499531 0.500000 Mg\n0.243295 0.999888 0.241367 Mg\n0.756705 0.999888 0.241367 Mg\n0.243295 0.999888 0.758633 Mg\n0.756705 0.999888 0.758633 Mg\n0.248845 0.500056 0.248032 Mg\n0.751155 0.500056 0.248032 Mg\n0.248845 0.500056 0.751968 Mg\n0.751155 0.500056 0.751968 Mg\n0.245832 0.750107 0.000000 Mg\n0.754168 0.750107 0.000000 Mg\n0.243825 0.743729 0.500000 Mg\n0.756175 0.743729 0.500000 Mg\n0.247523 0.249809 0.000000 Mg\n0.752477 0.249809 0.000000 Mg\n0.244144 0.256304 0.500000 Mg\n0.755856 0.256304 0.500000 Mg\n0.000000 0.750385 0.247983 Mg\n0.500000 0.745920 0.246046 Mg\n0.000000 0.750385 0.752017 Mg\n0.500000 0.745920 0.753954 Mg\n0.000000 0.249588 0.247501 Mg\n0.500000 0.253608 0.245348 Mg\n0.000000 0.249588 0.752499 Mg\n0.500000 0.253608 0.754652 Mg\n0.000000 0.736847 0.000000 O\n0.000000 0.748819 0.500000 O\n0.500000 0.746813 0.500000 O\n0.000000 0.262884 0.000000 O\n0.500000 0.252430 0.000000 O\n0.000000 0.251197 0.500000 O\n0.500000 0.253303 0.500000 O\n0.249743 0.750922 0.252090 O\n0.750257 0.750922 0.252090 O\n0.249743 0.750922 0.747910 O\n0.750257 0.750922 0.747910 O\n0.250659 0.249032 0.251106 O\n0.749341 0.249032 0.251106 O\n0.250659 0.249032 0.748894 O\n0.749341 0.249032 0.748894 O\n0.262904 0.000252 0.000000 O\n0.737096 0.000252 0.000000 O\n0.255732 0.999984 0.500000 O\n0.744268 0.999984 0.500000 O\n0.251912 0.499215 0.000000 O\n0.748088 0.499215 0.000000 O\n0.250742 0.500022 0.500000 O\n0.749258 0.500022 0.500000 O\n0.000000 0.999982 0.264356 O\n0.500000 0.000976 0.249157 O\n0.000000 0.999982 0.735644 O\n0.500000 0.000976 0.750843 O\n0.000000 0.500021 0.253093 O\n0.500000 0.499001 0.251802 O\n0.000000 0.500021 0.746907 O\n0.500000 0.499001 0.748198 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Hf-Mg-Na-O",
"density": 3.7380566271941342,
"density_atomic": 0.09941037412514658,
"volume": 633.7366754166926,
"volume_molar": 6.057859466878975,
"formula_full": "Na1 Hf1 Mg30 O31",
"formula_reduced": "NaHfMg30O31",
"formula_anonymous": "ABC30D31",
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -376.11909937,
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"updated_at": "2021-11-28T01:36:35.057000Z",
"spacegroup": 25
},
{
"id": "mp-1040115",
"created_at": "2022-09-04T14:43:55.028169Z",
"structure_string": "Na1 Li1 Mg30 O31\n1.0\n8.510774 0.000000 0.000000\n0.000000 8.547476 0.000000\n0.000000 0.000000 8.568874\nNa Li Mg O\n1 1 30 31\ndirect\n0.000877 0.500000 0.000000 Na\n0.003546 0.000000 0.000000 Li\n0.001732 0.000000 0.500000 Mg\n0.004301 0.500000 0.500000 Mg\n0.497869 0.000000 0.000000 Mg\n0.482553 0.500000 0.000000 Mg\n0.498367 0.000000 0.500000 Mg\n0.496959 0.500000 0.500000 Mg\n0.000077 0.752310 0.754456 Mg\n0.000077 0.247690 0.754456 Mg\n0.000077 0.752310 0.245544 Mg\n0.000077 0.247690 0.245544 Mg\n0.500114 0.749958 0.751711 Mg\n0.500114 0.250042 0.751711 Mg\n0.500114 0.749958 0.248289 Mg\n0.500114 0.250042 0.248289 Mg\n0.756911 0.774949 0.000000 Mg\n0.756911 0.225051 0.000000 Mg\n0.751478 0.753471 0.500000 Mg\n0.751478 0.246529 0.500000 Mg\n0.241203 0.752434 0.000000 Mg\n0.241203 0.247566 0.000000 Mg\n0.248758 0.751322 0.500000 Mg\n0.248758 0.248678 0.500000 Mg\n0.753654 0.000000 0.750341 Mg\n0.753345 0.500000 0.727914 Mg\n0.753654 0.000000 0.249659 Mg\n0.753345 0.500000 0.272086 Mg\n0.245811 0.000000 0.753362 Mg\n0.244521 0.500000 0.752517 Mg\n0.245811 0.000000 0.246638 Mg\n0.244521 0.500000 0.247483 Mg\n0.738736 0.000000 0.000000 O\n0.747420 0.000000 0.500000 O\n0.745749 0.500000 0.500000 O\n0.259338 0.000000 0.000000 O\n0.255991 0.500000 0.000000 O\n0.252260 0.000000 0.500000 O\n0.253554 0.500000 0.500000 O\n0.749948 0.744211 0.755027 O\n0.749948 0.255789 0.755027 O\n0.749948 0.744211 0.244973 O\n0.749948 0.255789 0.244973 O\n0.250870 0.748650 0.751072 O\n0.250870 0.251350 0.751072 O\n0.250870 0.748650 0.248928 O\n0.250870 0.251350 0.248928 O\n0.994279 0.757193 0.000000 O\n0.994279 0.242807 0.000000 O\n0.998613 0.749912 0.500000 O\n0.998613 0.250088 0.500000 O\n0.509646 0.742282 0.000000 O\n0.509646 0.257718 0.000000 O\n0.501720 0.748509 0.500000 O\n0.501720 0.251491 0.500000 O\n0.998300 0.000000 0.741472 O\n0.995153 0.500000 0.738548 O\n0.998300 0.000000 0.258528 O\n0.995153 0.500000 0.261452 O\n0.501894 0.000000 0.749543 O\n0.508071 0.500000 0.755125 O\n0.501894 0.000000 0.250457 O\n0.508071 0.500000 0.244875 O\n",
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"nelements": 4,
"elements": [
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"Li",
"Mg",
"O"
],
"chemical_system": "Li-Mg-Na-O",
"density": 3.343363766175677,
"density_atomic": 0.1010671093296545,
"volume": 623.3481932733473,
"volume_molar": 5.958556448228227,
"formula_full": "Na1 Li1 Mg30 O31",
"formula_reduced": "NaLiMg30O31",
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"updated_at": "2021-11-28T01:36:22.625000Z",
"spacegroup": 25
}
]
}