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{
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"structure_string": "Ba1 Mg6 Fe1\n1.0\n7.919457 -0.994347 0.000000\n-4.820858 6.361277 0.000000\n0.000000 0.000000 4.682530\nBa Mg Fe\n1 6 1\ndirect\n0.279797 0.220203 0.750000 Ba\n0.208070 0.804244 0.250000 Mg\n0.695757 0.291930 0.250000 Mg\n0.682601 0.817399 0.250000 Mg\n0.320517 0.673235 0.750000 Mg\n0.826765 0.179483 0.750000 Mg\n0.880336 0.619664 0.750000 Mg\n0.106159 0.393841 0.250000 Fe\n",
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{
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"structure_string": "Ba1 Mg6 Ga1\n1.0\n6.718723 0.770933 0.000000\n-2.691714 6.204048 0.000000\n0.000000 0.000000 4.898525\nBa Mg Ga\n1 6 1\ndirect\n0.121166 0.378834 0.250000 Ba\n0.210097 0.904676 0.250000 Mg\n0.595324 0.289903 0.250000 Mg\n0.692929 0.807071 0.250000 Mg\n0.399169 0.719587 0.750001 Mg\n0.780413 0.100830 0.750001 Mg\n0.869193 0.630807 0.750001 Mg\n0.331709 0.168290 0.750001 Ga\n",
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{
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"structure_string": "Ba1 Mg6 Ga1\n1.0\n7.833341 0.981334 0.000000\n-3.066810 5.311871 0.000000\n0.000000 0.000000 4.918685\nBa Mg Ga\n1 6 1\ndirect\n0.085676 0.292838 0.250000 Ba\n0.628144 0.325720 0.250000 Mg\n0.628144 0.802422 0.250000 Mg\n0.354853 0.176080 0.750001 Mg\n0.354853 0.678774 0.750001 Mg\n0.742575 0.121287 0.750001 Mg\n0.904673 0.702336 0.750001 Mg\n0.301081 0.900540 0.250000 Ga\n",
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{
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"updated_at": "2022-09-04T14:35:57.380819Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n6.672171 -1.787915 0.000000\n-4.884464 8.460141 0.000000\n0.000000 0.000000 4.129627\nBa Mg Mo\n1 6 1\ndirect\n0.250044 0.375022 0.250000 Ba\n0.749979 0.374961 0.250000 Mg\n0.749979 0.875016 0.250000 Mg\n0.249982 0.083050 0.750000 Mg\n0.249982 0.666934 0.750000 Mg\n0.666138 0.083068 0.750000 Mg\n0.833871 0.666935 0.750000 Mg\n0.250023 0.875011 0.250000 Mo\n",
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"formula_full": "Ba1 Mg6 Mo1",
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"spacegroup": 123
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{
"id": "jvasp-92865",
"created_at": "2022-09-04T14:36:11.759098Z",
"updated_at": "2022-09-04T14:36:11.759130Z",
"structure_string": "Ba1 Mg6 Mo1\n1.0\n8.098698 -1.126020 0.000000\n-5.024511 6.450667 0.000000\n0.000000 0.000000 4.759770\nBa Mg Mo\n1 6 1\ndirect\n0.222993 0.277008 0.250000 Ba\n0.180753 0.828365 0.250000 Mg\n0.671636 0.319247 0.250000 Mg\n0.607696 0.892305 0.250000 Mg\n0.287062 0.696349 0.750000 Mg\n0.803652 0.212939 0.750000 Mg\n0.834431 0.665571 0.750000 Mg\n0.391782 0.108218 0.750000 Mo\n",
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"spacegroup": 38
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{
"id": "jvasp-92846",
"created_at": "2022-09-04T14:36:12.148407Z",
"updated_at": "2022-09-04T14:36:12.148433Z",
"structure_string": "Ba1 Mg6 Nb1\n1.0\n6.590378 0.000765 0.000000\n-3.294527 5.707816 0.000000\n0.000000 0.000000 5.191953\nBa Mg Nb\n1 6 1\ndirect\n0.083332 0.416669 0.250000 Ba\n0.112584 0.931290 0.250000 Mg\n0.568711 0.387416 0.250000 Mg\n0.568824 0.931176 0.250000 Mg\n0.436010 0.593071 0.750000 Mg\n0.906929 0.063989 0.750000 Mg\n0.906926 0.593074 0.750000 Mg\n0.416685 0.083315 0.750000 Nb\n",
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{
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"created_at": "2022-09-04T14:36:14.249000Z",
"updated_at": "2022-09-04T14:36:14.249012Z",
"structure_string": "Ba1 Mg6 Ni1\n1.0\n7.666889 0.973124 0.000000\n-2.990693 5.180032 0.000000\n0.000000 0.000000 4.928683\nBa Mg Ni\n1 6 1\ndirect\n0.089246 0.794623 0.250000 Ba\n0.612320 0.299984 0.250000 Mg\n0.612320 0.812333 0.250000 Mg\n0.347413 0.188197 0.750000 Mg\n0.347413 0.659216 0.750000 Mg\n0.918085 0.209042 0.750000 Mg\n0.746750 0.623374 0.750000 Mg\n0.326453 0.413226 0.250000 Ni\n",
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{
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"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
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{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
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{
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"structure_string": "Ba1 Mg6 W1\n1.0\n6.567331 -1.759927 0.000000\n-4.807807 8.327366 0.000000\n0.000000 0.000000 4.219356\nBa Mg W\n1 6 1\ndirect\n0.249987 0.374993 0.250000 Ba\n0.750002 0.375027 0.250000 Mg\n0.750002 0.874973 0.250000 Mg\n0.250006 0.084269 0.750001 Mg\n0.250006 0.665739 0.750001 Mg\n0.668530 0.084265 0.750001 Mg\n0.831446 0.665723 0.750001 Mg\n0.250018 0.875009 0.250000 W\n",
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{
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"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
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{
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"structure_string": "Ba1 Mn1 Al1 Cu1 O5\n1.0\n3.732152 0.000000 0.000000\n0.000000 3.732152 0.000000\n0.000000 0.000000 7.757984\nBa Mn Al Cu O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.002751 Ba\n0.500000 0.500000 0.316852 Mn\n0.000000 0.000000 0.544946 Al\n0.500000 0.500000 0.732067 Cu\n0.500000 0.000000 0.378586 O\n0.000000 0.500000 0.378586 O\n0.500000 0.000000 0.694834 O\n0.000000 0.500000 0.694834 O\n0.500000 0.500000 0.068647 O\n",
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