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{
"id": "jvasp-55332",
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{
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"structure_string": "Nd2 Fe15 Co2 H3\n1.0\n6.328654 0.010050 0.693674\n0.622885 6.297934 0.693674\n0.011075 0.010050 6.366547\nNd Fe Co H\n2 15 2 3\ndirect\n0.654788 0.654789 0.654789 Nd\n0.345210 0.345210 0.345210 Nd\n0.662457 0.149932 0.662458 Fe\n0.149931 0.662458 0.662458 Fe\n0.662457 0.662458 0.149931 Fe\n0.337541 0.850067 0.337541 Fe\n0.850067 0.337542 0.337541 Fe\n0.337541 0.337542 0.850068 Fe\n0.717186 0.000000 0.282813 Fe\n0.282813 0.717186 -0.000001 Fe\n0.282813 0.000000 0.717187 Fe\n-0.000001 0.717186 0.282813 Fe\n0.717186 0.282813 -0.000001 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000001 0.282813 0.717187 Fe\n0.905266 0.905268 0.905268 Co\n0.094731 0.094732 0.094732 Co\n-0.000001 0.500000 0.500000 H\n0.499999 0.500000 -0.000001 H\n0.499999 0.000000 0.500000 H\n",
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"formula_full": "Nd2 Fe15 Co2 H3",
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{
"id": "jvasp-99947",
"created_at": "2022-09-04T14:36:18.910197Z",
"updated_at": "2022-09-04T14:36:18.910213Z",
"structure_string": "Nd2 Fe1 Co3 Si4\n1.0\n3.977951 0.000000 -0.000000\n0.000000 3.977951 0.000000\n-0.000000 0.000000 9.925681\nNd Fe Co Si\n2 1 3 4\ndirect\n0.500000 0.000000 0.751393 Nd\n0.000000 0.500000 0.248607 Nd\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.886847 Si\n0.500000 0.000000 0.384206 Si\n0.500000 0.000000 0.113153 Si\n0.000000 0.500000 0.615794 Si\n",
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"formula_full": "Nd2 Fe1 Co3 Si4",
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{
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"created_at": "2022-09-04T14:36:44.963838Z",
"updated_at": "2022-09-04T14:36:44.963856Z",
"structure_string": "Nd1 Fe1 Co1 Si2\n1.0\n3.735849 0.009766 -4.272595\n-0.519572 3.699555 -4.272595\n-0.008468 -0.009766 5.675523\nNd Fe Co Si\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.499999 Fe\n0.250000 0.749999 0.499998 Co\n0.636913 0.636913 -0.000001 Si\n0.363088 0.363087 -0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:38:52.397631Z",
"updated_at": "2022-09-04T14:38:52.397656Z",
"structure_string": "Nd1 Fe4 Cu3 O12\n1.0\n5.927219 -0.000000 -2.095588\n-2.963609 5.133122 -2.095588\n-0.000000 -0.000000 6.286765\nNd Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.303234 0.820419 0.123654 O\n0.696766 0.179580 0.876346 O\n0.482815 0.303234 0.179580 O\n0.517185 0.696765 0.820420 O\n0.123654 0.303234 0.820420 O\n0.820420 0.123654 0.303235 O\n0.179580 0.482815 0.303235 O\n0.820419 0.517185 0.696766 O\n0.696765 0.820419 0.517185 O\n0.179580 0.876346 0.696766 O\n0.876346 0.696765 0.179580 O\n0.303235 0.179580 0.482815 O\n",
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"formula_full": "Nd1 Fe4 Cu3 O12",
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{
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"updated_at": "2022-09-04T14:35:59.586839Z",
"structure_string": "Nd2 Fe2 Se2 O3\n1.0\n4.018824 -0.000000 0.000000\n-0.000000 4.018824 0.000000\n-2.009413 -2.009413 9.352161\nNd Fe Se O\n2 2 2 3\ndirect\n0.314445 0.314445 0.628890 Nd\n0.685555 0.685555 0.371110 Nd\n-0.000000 0.499999 -0.000000 Fe\n0.499999 -0.000000 -0.000000 Fe\n0.902110 0.902110 0.804220 Se\n0.097890 0.097890 0.195780 Se\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.499999 0.499999 -0.000000 O\n",
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],
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"volume": 151.0462505018728,
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"formula_full": "Nd2 Fe2 Se2 O3",
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},
{
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"created_at": "2022-09-04T14:36:47.405124Z",
"updated_at": "2022-09-04T14:36:47.405149Z",
"structure_string": "Nd2 Fe2 Si2 C1\n1.0\n3.750503 0.000000 1.380876\n1.523753 5.332672 1.645120\n-0.049360 0.035604 5.917744\nNd Fe Si C\n2 2 2 1\ndirect\n0.058662 0.682393 0.200280 Nd\n0.941337 0.317606 0.799720 Nd\n0.694302 0.197702 0.413692 Fe\n0.305697 0.802297 0.586308 Fe\n0.321316 0.116624 0.240742 Si\n0.678683 0.883375 0.759258 Si\n0.500000 0.499999 0.500000 C\n",
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],
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"volume": 118.57478970836969,
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"formula_full": "Nd2 Fe2 Si2 C1",
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},
{
"id": "jvasp-107534",
"created_at": "2022-09-04T14:36:57.117113Z",
"updated_at": "2022-09-04T14:36:57.117129Z",
"structure_string": "Nd2 Fe1 Si2 Ru1\n1.0\n4.147271 -0.000000 0.000000\n0.000000 4.147271 0.000000\n-0.000000 0.000000 6.903996\nNd Fe Si Ru\n2 1 2 1\ndirect\n0.500000 0.000000 0.320970 Nd\n-0.000000 0.500000 0.679031 Nd\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.826794 Si\n-0.000000 0.500000 0.173206 Si\n0.500000 0.500000 -0.000000 Ru\n",
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},
{
"id": "jvasp-57122",
"created_at": "2022-09-04T14:37:54.140154Z",
"updated_at": "2022-09-04T14:37:54.140178Z",
"structure_string": "Nd1 Ga3 B4 O12\n1.0\n5.901085 -0.004668 -1.474353\n-1.886959 5.591262 -1.474353\n-0.003354 -0.004668 6.082476\nNd Ga B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.448497 -0.000000 0.551504 Ga\n0.000000 0.551503 0.448497 Ga\n0.551503 0.448496 0.000000 Ga\n0.054873 0.499999 0.945128 B\n0.500000 0.499999 0.500001 B\n0.499999 0.945127 0.054873 B\n0.945127 0.054872 0.500001 B\n0.355007 0.644992 0.500001 O\n0.500000 0.355007 0.644993 O\n0.644992 0.499999 0.355008 O\n0.027803 0.625063 0.785848 O\n0.374936 0.972197 0.214153 O\n0.500000 0.090245 0.909755 O\n0.909753 0.499999 0.090246 O\n0.090246 0.909754 0.500001 O\n0.972196 0.214152 0.374937 O\n0.625063 0.785847 0.027803 O\n0.214153 0.374936 0.972198 O\n0.785847 0.027802 0.625064 O\n",
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{
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"structure_string": "Nd6 Ga2 Ni2 S14\n1.0\n9.787365 0.000000 0.000000\n-4.893683 8.476107 0.000000\n-0.000000 -0.000000 6.275144\nNd Ga Ni S\n6 2 2 14\ndirect\n0.835546 0.624175 0.676272 Nd\n0.788630 0.164455 0.676272 Nd\n0.375825 0.211370 0.676272 Nd\n0.164455 0.375825 0.176273 Nd\n0.211371 0.835546 0.176273 Nd\n0.624176 0.788630 0.176273 Nd\n0.333334 0.666667 0.600784 Ga\n0.666667 0.333333 0.100784 Ga\n0.000000 0.000000 0.996953 Ni\n0.000000 0.000000 0.496953 Ni\n0.873147 0.101658 0.262457 S\n0.101658 0.228511 0.762457 S\n0.771489 0.873147 0.762457 S\n0.126854 0.898342 0.762457 S\n0.666667 0.333333 0.461341 S\n0.333334 0.666667 0.961341 S\n0.914357 0.441066 0.955781 S\n0.085644 0.558934 0.455781 S\n0.441066 0.526710 0.455781 S\n0.526710 0.085643 0.955781 S\n0.228512 0.126853 0.262457 S\n0.558935 0.473291 0.955781 S\n0.473291 0.914357 0.455781 S\n0.898343 0.771489 0.262457 S\n",
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{
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"structure_string": "Nd4 Ge4 B4 O20\n1.0\n0.000000 4.993074 0.002044\n7.659790 0.000000 0.000000\n0.000000 -0.346498 -10.144827\nNd Ge B O\n4 4 4 20\ndirect\n0.005702 0.108736 0.680218 Nd\n0.994296 0.608736 0.819783 Nd\n0.994297 0.891264 0.319783 Nd\n0.005702 0.391264 0.180218 Nd\n0.473706 0.766722 0.575158 Ge\n0.526293 0.266722 0.924843 Ge\n0.526293 0.233278 0.424843 Ge\n0.473706 0.733278 0.075158 Ge\n0.454016 0.404343 0.669055 B\n0.545983 0.904343 0.830946 B\n0.454016 0.095657 0.169054 B\n0.545983 0.595657 0.330946 B\n0.704826 0.840827 0.704277 O\n0.330134 0.579800 0.650169 O\n0.669865 0.079800 0.849832 O\n0.776679 0.413129 0.972950 O\n0.223320 0.913129 0.527051 O\n0.223320 0.586871 0.027051 O\n0.776679 0.086871 0.472950 O\n0.295173 0.340827 0.795724 O\n0.704826 0.659173 0.204277 O\n0.732954 0.396037 0.689022 O\n0.335980 0.286314 0.564664 O\n0.664019 0.786314 0.935336 O\n0.664019 0.713686 0.435336 O\n0.335980 0.213686 0.064664 O\n0.330134 0.920200 0.150169 O\n0.267045 0.896037 0.810979 O\n0.267045 0.603963 0.310979 O\n0.732954 0.103963 0.189022 O\n0.295173 0.159173 0.295724 O\n0.669865 0.420200 0.349832 O\n",
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"formula_full": "Nd4 Ge4 B4 O20",
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},
{
"id": "jvasp-12570",
"created_at": "2022-09-04T14:37:08.976103Z",
"updated_at": "2022-09-04T14:37:08.976126Z",
"structure_string": "Nd1 H3 C3 O6\n1.0\n5.685028 -0.002777 -2.709212\n-4.291417 3.728712 -2.709212\n-0.001039 -0.002777 6.297569\nNd H C O\n1 3 3 6\ndirect\n0.136029 0.136029 0.136029 Nd\n0.281812 0.765606 0.765606 H\n0.765606 0.765606 0.281813 H\n0.765606 0.281812 0.765606 H\n0.526175 0.986252 0.526176 C\n0.986252 0.526175 0.526176 C\n0.526175 0.526175 0.986252 C\n0.851420 0.252085 0.252086 O\n0.547379 0.802080 0.547380 O\n0.547379 0.547379 0.802081 O\n0.252085 0.851420 0.252086 O\n0.252085 0.252085 0.851420 O\n0.802080 0.547379 0.547380 O\n",
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}
]
}