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"structure_string": "Nd12 S12 N4\n1.0\n4.029211 0.000000 0.000000\n0.000000 12.221542 0.000000\n0.000000 0.000000 13.104488\nNd S N\n12 12 4\ndirect\n0.750000 0.277134 0.366364 Nd\n0.750000 0.416752 0.127021 Nd\n0.750000 0.959255 0.851574 Nd\n0.250000 0.583248 0.872979 Nd\n0.250000 0.222865 0.866364 Nd\n0.750000 0.777134 0.133636 Nd\n0.750000 0.916751 0.372979 Nd\n0.250000 0.083248 0.627022 Nd\n0.250000 0.722865 0.633636 Nd\n0.250000 0.540745 0.351573 Nd\n0.750000 0.459255 0.648427 Nd\n0.250000 0.040745 0.148427 Nd\n0.250000 0.582419 0.106540 S\n0.250000 0.082419 0.393460 S\n0.250000 0.769234 0.302782 S\n0.250000 0.360360 0.497021 S\n0.750000 0.417581 0.893460 S\n0.250000 0.860359 0.002979 S\n0.250000 0.269234 0.197218 S\n0.750000 0.139640 0.997021 S\n0.750000 0.917581 0.606540 S\n0.750000 0.730765 0.802782 S\n0.750000 0.230766 0.697218 S\n0.750000 0.639640 0.502979 S\n0.750000 0.453953 0.298006 N\n0.250000 0.046047 0.798006 N\n0.250000 0.546047 0.701994 N\n0.750000 0.953953 0.201994 N\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "N-Nd-S",
"density": 5.588368237420815,
"density_atomic": 0.04339023061314412,
"volume": 645.3065495235697,
"volume_molar": 13.879024552074458,
"formula_full": "Nd12 S12 N4",
"formula_reduced": "Nd3S3N",
"formula_anonymous": "AB3C3",
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"spacegroup": 62
},
{
"id": "jvasp-120418",
"created_at": "2022-09-04T14:38:50.508978Z",
"updated_at": "2022-09-04T14:38:50.509009Z",
"structure_string": "Na3 La5 Cl18\n1.0\n7.574853 0.000000 0.000000\n-3.787427 6.560015 0.000000\n-0.000000 -0.000000 12.981480\nNa La Cl\n3 5 18\ndirect\n0.000000 0.000000 0.500000 Na\n0.666666 0.333333 0.343445 Na\n0.666666 0.333333 0.656555 Na\n0.000000 0.000000 0.832797 La\n0.000000 0.000000 0.167203 La\n0.333333 0.666666 0.336568 La\n0.333333 0.666666 -0.000000 La\n0.333333 0.666666 0.663432 La\n0.369682 0.419864 0.834029 Cl\n0.572725 0.957597 0.500000 Cl\n0.580135 0.949817 0.165971 Cl\n0.580135 0.949817 0.834029 Cl\n0.274977 0.023579 0.670141 Cl\n0.274977 0.023579 0.329859 Cl\n0.278227 0.029773 -0.000000 Cl\n0.042402 0.615128 0.500000 Cl\n0.748601 0.725022 0.329859 Cl\n0.050182 0.630317 0.834029 Cl\n0.748601 0.725022 0.670141 Cl\n0.369682 0.419864 0.165971 Cl\n0.751545 0.721773 -0.000000 Cl\n0.976421 0.251398 0.670141 Cl\n0.976421 0.251398 0.329859 Cl\n0.970226 0.248454 -0.000000 Cl\n0.050182 0.630317 0.165971 Cl\n0.384871 0.427274 0.500000 Cl\n",
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"elements": [
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],
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"formula_full": "Na3 La5 Cl18",
"formula_reduced": "Na3La5Cl18",
"formula_anonymous": "A3B5C18",
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}
]
}