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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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{
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"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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"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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"elements": [
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"volume": 195.31704201536533,
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"formula_full": "Ba1 Mg6 Nb1",
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"spacegroup": 187
},
{
"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",
"nsites": 8,
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"density": 2.83905539168204,
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"volume": 221.73057291351424,
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"formula_full": "Ba1 Mg6 Mo1",
"formula_reduced": "BaMg6Mo",
"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-91904",
"created_at": "2022-09-04T14:35:57.380810Z",
"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-92850",
"created_at": "2022-09-04T14:35:43.240731Z",
"updated_at": "2022-09-04T14:35:43.240754Z",
"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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"density": 2.7336900304180047,
"density_atomic": 0.03732184575623453,
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"formula_full": "Ba1 Mg6 Ga1",
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{
"id": "jvasp-92205",
"created_at": "2022-09-04T14:36:08.573314Z",
"updated_at": "2022-09-04T14:36:08.573341Z",
"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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"density_atomic": 0.036451767823585564,
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"formula_full": "Ba1 Mg6 Ga1",
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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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{
"id": "jvasp-92847",
"created_at": "2022-09-04T14:36:15.823154Z",
"updated_at": "2022-09-04T14:36:15.823178Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.648166 0.813731 0.000000\n-3.119370 5.402907 0.000000\n0.000000 0.000000 5.031491\nBa Mg Cr\n1 6 1\ndirect\n0.085588 0.292794 0.250000 Ba\n0.621783 0.322449 0.250000 Mg\n0.621783 0.799332 0.250000 Mg\n0.356354 0.174247 0.750000 Mg\n0.356354 0.682108 0.750000 Mg\n0.740576 0.120288 0.750000 Mg\n0.937765 0.718882 0.750000 Mg\n0.279801 0.889901 0.250000 Cr\n",
"nsites": 8,
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"formula_full": "Ba1 Mg6 Cr1",
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"spacegroup": 38
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{
"id": "jvasp-92869",
"created_at": "2022-09-04T14:36:19.676102Z",
"updated_at": "2022-09-04T14:36:19.676138Z",
"structure_string": "Ba1 Mg6 Cr1\n1.0\n7.679479 -0.765627 0.000000\n-4.502792 6.267810 0.000000\n0.000000 0.000000 4.948589\nBa Mg Cr\n1 6 1\ndirect\n0.212371 0.287629 0.250000 Ba\n0.172508 0.812057 0.250000 Mg\n0.687943 0.327492 0.250000 Mg\n0.618860 0.881140 0.250000 Mg\n0.303360 0.685130 0.750000 Mg\n0.814870 0.196640 0.750000 Mg\n0.804703 0.695297 0.750000 Mg\n0.385386 0.114613 0.750000 Cr\n",
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{
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"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
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{
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"structure_string": "Ba1 Mg6 C1\n1.0\n10.330956 2.657858 0.000000\n-2.863706 4.960084 0.000000\n0.000000 0.000000 3.576796\nBa Mg C\n1 6 1\ndirect\n0.073939 0.286969 0.250000 Ba\n0.585514 0.290469 0.250000 Mg\n0.585514 0.795044 0.250000 Mg\n0.356986 0.159148 0.750001 Mg\n0.356986 0.697839 0.750001 Mg\n0.782363 0.141183 0.750001 Mg\n0.847867 0.673933 0.750001 Mg\n0.410831 0.955415 0.250000 C\n",
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