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{
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{
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{
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{
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{
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"structure_string": "Nd12 Fe26 Pb2\n1.0\n8.088274 0.000000 0.000000\n0.000000 8.088274 0.000000\n-4.044137 -4.044137 11.768034\nNd Fe Pb\n12 26 2\ndirect\n0.604150 0.604150 0.208299 Nd\n0.104150 0.104150 0.208299 Nd\n0.395850 0.395850 0.791701 Nd\n0.895850 0.895850 0.791701 Nd\n0.978351 0.478351 0.631299 Nd\n0.652948 0.152948 0.631299 Nd\n0.152948 0.978351 0.631299 Nd\n0.478351 0.652948 0.631299 Nd\n0.021649 0.521649 0.368701 Nd\n0.347052 0.847052 0.368701 Nd\n0.847052 0.021649 0.368701 Nd\n0.521649 0.347052 0.368701 Nd\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.710256 0.566504 0.000000 Fe\n0.289744 0.433496 0.000000 Fe\n0.789744 0.066504 0.000000 Fe\n0.210256 0.933496 0.000000 Fe\n0.566504 0.289744 0.000000 Fe\n0.433496 0.710256 0.000000 Fe\n0.066504 0.210256 0.000000 Fe\n0.933496 0.789744 0.000000 Fe\n0.120213 0.620213 0.882958 Fe\n0.762746 0.262746 0.882958 Fe\n0.262746 0.120213 0.882958 Fe\n0.620213 0.762746 0.882958 Fe\n0.879787 0.379787 0.117042 Fe\n0.237254 0.737254 0.117042 Fe\n0.737254 0.879787 0.117042 Fe\n0.379787 0.237254 0.117042 Fe\n0.292947 0.792947 0.813062 Fe\n0.520115 0.020115 0.813062 Fe\n0.020115 0.292947 0.813062 Fe\n0.792947 0.520115 0.813062 Fe\n0.707053 0.207053 0.186938 Fe\n0.479885 0.979885 0.186938 Fe\n0.979885 0.707053 0.186938 Fe\n0.207053 0.479885 0.186938 Fe\n0.250000 0.250000 0.500000 Pb\n0.750000 0.750000 0.500000 Pb\n",
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"elements": [
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],
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"formula_full": "Nd12 Fe26 Pb2",
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"updated_at": "2021-11-28T01:34:39.833000Z",
"spacegroup": 140
},
{
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"created_at": "2022-09-04T14:39:08.141605Z",
"structure_string": "Tb20 Bi12\n1.0\n8.302245 0.000000 0.000000\n0.000000 9.587123 0.000000\n0.000000 0.000000 12.111782\nTb Bi\n20 12\ndirect\n0.352577 0.750000 0.214462 Tb\n0.852577 0.750000 0.285538 Tb\n0.647423 0.250000 0.785538 Tb\n0.147423 0.250000 0.714462 Tb\n0.693559 0.562669 0.057970 Tb\n0.193559 0.937331 0.442030 Tb\n0.306441 0.062669 0.942030 Tb\n0.806441 0.437331 0.557970 Tb\n0.306441 0.437331 0.942030 Tb\n0.806441 0.062669 0.557970 Tb\n0.693559 0.937331 0.057970 Tb\n0.193559 0.562669 0.442030 Tb\n0.475428 0.250000 0.488269 Tb\n0.975428 0.250000 0.011731 Tb\n0.524572 0.750000 0.511731 Tb\n0.024572 0.750000 0.988269 Tb\n0.313170 0.250000 0.219530 Tb\n0.813170 0.250000 0.280470 Tb\n0.686830 0.750000 0.780470 Tb\n0.186830 0.750000 0.719530 Tb\n0.408599 0.750000 0.956943 Bi\n0.908599 0.750000 0.543057 Bi\n0.591401 0.250000 0.043057 Bi\n0.091401 0.250000 0.456943 Bi\n0.564759 0.995502 0.325282 Bi\n0.064759 0.504498 0.174718 Bi\n0.435241 0.495502 0.674718 Bi\n0.935241 0.004498 0.825282 Bi\n0.435241 0.004498 0.674718 Bi\n0.935241 0.495502 0.825282 Bi\n0.564759 0.504498 0.325282 Bi\n0.064759 0.995502 0.174718 Bi\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Bi-Tb",
"density": 9.794557549868808,
"density_atomic": 0.03319388525472277,
"volume": 964.0329763882369,
"volume_molar": 18.14231962841162,
"formula_full": "Tb20 Bi12",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
"energy": -161.73022626,
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"updated_at": "2021-11-28T01:34:30.245000Z",
"spacegroup": 62
},
{
"id": "mp-17985",
"created_at": "2022-09-04T14:39:15.017397Z",
"structure_string": "Ca10 Ga4 Sb12\n1.0\n4.495674 0.000000 0.000000\n0.000000 12.165687 0.000000\n0.000000 0.000000 14.106276\nCa Ga Sb\n10 4 12\ndirect\n0.500000 0.671841 0.483263 Ca\n0.500000 0.328159 0.516737 Ca\n0.500000 0.828159 0.983263 Ca\n0.500000 0.171841 0.016737 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.908448 0.252800 Ca\n0.500000 0.091552 0.747200 Ca\n0.500000 0.408448 0.247200 Ca\n0.500000 0.591552 0.752800 Ca\n0.000000 0.330219 0.711578 Ga\n0.000000 0.669781 0.288422 Ga\n0.000000 0.830219 0.788422 Ga\n0.000000 0.169781 0.211578 Ga\n0.000000 0.974044 0.099976 Sb\n0.000000 0.025956 0.900024 Sb\n0.000000 0.474044 0.400024 Sb\n0.000000 0.525956 0.599976 Sb\n0.500000 0.162644 0.322979 Sb\n0.500000 0.837356 0.677021 Sb\n0.500000 0.662644 0.177021 Sb\n0.500000 0.337356 0.822979 Sb\n0.000000 0.345116 0.091511 Sb\n0.000000 0.654884 0.908489 Sb\n0.000000 0.845116 0.408489 Sb\n0.000000 0.154884 0.591511 Sb\n",
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"elements": [
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],
"chemical_system": "Ca-Ga-Sb",
"density": 4.607652773775996,
"density_atomic": 0.033699970536525126,
"volume": 771.5140276404798,
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"formula_full": "Ca10 Ga4 Sb12",
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"updated_at": "2021-11-28T01:34:26.638000Z",
"spacegroup": 55
}
]
}