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{
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{
"id": "jvasp-94098",
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"structure_string": "Hf1 Mg6 Ni1\n1.0\n6.331126 -0.159304 0.000000\n-3.303525 5.403263 0.000000\n0.000000 0.000000 4.806785\nHf Mg Ni\n1 6 1\ndirect\n0.307808 0.192192 0.749999 Hf\n0.175961 0.837916 0.250000 Mg\n0.662085 0.324040 0.250000 Mg\n0.674878 0.825123 0.250000 Mg\n0.319026 0.671315 0.749999 Mg\n0.828686 0.180976 0.749999 Mg\n0.833808 0.666193 0.749999 Mg\n0.197755 0.302245 0.250000 Ni\n",
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{
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"structure_string": "Mg6 Cr1 B1\n1.0\n6.712266 0.469584 0.000000\n-2.949462 5.108616 0.000000\n0.000000 0.000000 4.375733\nMg Cr B\n6 1 1\ndirect\n0.619101 0.307773 0.250000 Mg\n0.619101 0.811325 0.250000 Mg\n0.303876 0.139930 0.750000 Mg\n0.303877 0.663947 0.750000 Mg\n0.850157 0.175079 0.750000 Mg\n0.875436 0.687716 0.750000 Mg\n0.146573 0.323287 0.250000 Cr\n0.281881 0.890941 0.250000 B\n",
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{
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"structure_string": "Fe8 O4 F12\n1.0\n4.793834 -0.127143 0.000000\n-0.127143 4.793834 0.000000\n0.000000 0.000000 12.370921\nFe O F\n8 4 12\ndirect\n0.964875 0.964875 0.000000 Fe\n0.024503 0.024503 0.250693 Fe\n0.018312 0.018312 0.500000 Fe\n0.024503 0.024503 0.749307 Fe\n0.478707 0.478707 0.626099 Fe\n0.498559 0.498559 0.124338 Fe\n0.498559 0.498559 0.875662 Fe\n0.478707 0.478707 0.373901 Fe\n0.311559 0.311559 0.753745 O\n0.678964 0.678964 0.000000 O\n0.308237 0.308237 0.500000 O\n0.311559 0.311559 0.246254 O\n0.797119 0.191225 0.125261 F\n0.191225 0.797119 0.125261 F\n0.204643 0.803069 0.375034 F\n0.204643 0.803069 0.624966 F\n0.191225 0.797119 0.874739 F\n0.277459 0.277459 0.000000 F\n0.712319 0.712319 0.253941 F\n0.708743 0.708743 0.500000 F\n0.712319 0.712319 0.746059 F\n0.803069 0.204643 0.375034 F\n0.803069 0.204643 0.624966 F\n0.797119 0.191225 0.874739 F\n",
"nsites": 24,
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"elements": [
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],
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"volume": 284.09423065324364,
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{
"id": "jvasp-93183",
"created_at": "2022-09-04T14:35:55.605493Z",
"updated_at": "2022-09-04T14:35:55.605523Z",
"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
"nsites": 8,
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"elements": [
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"density": 1.9897500508693449,
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"volume": 212.51836723196703,
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"formula_full": "K1 Mg6 Ga1",
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{
"id": "jvasp-92894",
"created_at": "2022-09-04T14:35:54.510127Z",
"updated_at": "2022-09-04T14:35:54.510152Z",
"structure_string": "Mg6 Bi1 Mo1\n1.0\n6.267580 0.055156 0.000000\n-3.086024 5.345149 0.000000\n0.000000 0.000000 5.087436\nMg Bi Mo\n6 1 1\ndirect\n0.665907 0.329030 0.250000 Mg\n0.665907 0.836877 0.250000 Mg\n0.332055 0.183866 0.750001 Mg\n0.332055 0.648192 0.750001 Mg\n0.854393 0.177198 0.750001 Mg\n0.816142 0.658072 0.750001 Mg\n0.158410 0.829205 0.250000 Bi\n0.175134 0.337567 0.250000 Mo\n",
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"spacegroup": 38
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{
"id": "jvasp-92196",
"created_at": "2022-09-04T14:35:54.647536Z",
"updated_at": "2022-09-04T14:35:54.647561Z",
"structure_string": "Mg6 Fe1 Ni1\n1.0\n6.052066 -0.072172 0.000000\n-3.088536 5.205157 0.000000\n0.000000 0.000000 4.709630\nMg Fe Ni\n6 1 1\ndirect\n0.174138 0.851040 0.250000 Mg\n0.648961 0.325863 0.250000 Mg\n0.666822 0.833179 0.250000 Mg\n0.327266 0.646109 0.750000 Mg\n0.853892 0.172735 0.750000 Mg\n0.832970 0.667031 0.750000 Mg\n0.184409 0.315592 0.250000 Fe\n0.311545 0.188455 0.750000 Ni\n",
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"spacegroup": 38
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{
"id": "jvasp-94086",
"created_at": "2022-09-04T14:35:54.799297Z",
"updated_at": "2022-09-04T14:35:54.799322Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.054956 -0.139272 0.000000\n-3.148091 5.452653 0.000000\n0.000000 0.000000 4.704133\nMg Ga Ni\n6 1 1\ndirect\n0.676717 0.336150 0.250000 Mg\n0.676717 0.840566 0.250000 Mg\n0.318603 0.171839 0.750000 Mg\n0.318603 0.646763 0.750000 Mg\n0.844358 0.172178 0.750000 Mg\n0.835632 0.667816 0.750000 Mg\n0.171464 0.835731 0.250000 Ga\n0.157911 0.328955 0.250000 Ni\n",
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{
"id": "jvasp-92884",
"created_at": "2022-09-04T14:35:54.975942Z",
"updated_at": "2022-09-04T14:35:54.975972Z",
"structure_string": "Hf1 Mg6 Cr1\n1.0\n6.338400 0.154934 0.000000\n-3.035024 5.256815 0.000000\n0.000000 0.000000 5.002229\nHf Mg Cr\n1 6 1\ndirect\n0.151580 0.825789 0.250000 Hf\n0.655556 0.329002 0.250000 Mg\n0.655557 0.826553 0.250000 Mg\n0.332178 0.166048 0.750000 Mg\n0.332179 0.666132 0.750000 Mg\n0.863124 0.181562 0.750000 Mg\n0.839704 0.669852 0.750000 Mg\n0.170124 0.335062 0.250000 Cr\n",
"nsites": 8,
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],
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{
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"created_at": "2022-09-04T14:35:55.095579Z",
"updated_at": "2022-09-04T14:35:55.095610Z",
"structure_string": "Hf1 Mg6 W1\n1.0\n6.309836 0.313439 0.000000\n-2.883472 4.994319 0.000000\n0.000000 0.000000 5.025820\nHf Mg W\n1 6 1\ndirect\n0.150618 0.825308 0.250000 Hf\n0.650463 0.325440 0.250000 Mg\n0.650463 0.825022 0.250000 Mg\n0.331970 0.173150 0.750000 Mg\n0.331970 0.658823 0.750000 Mg\n0.878772 0.189388 0.750000 Mg\n0.849521 0.674761 0.750000 Mg\n0.156227 0.328112 0.250000 W\n",
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{
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"created_at": "2022-09-04T14:35:55.312670Z",
"updated_at": "2022-09-04T14:35:55.312703Z",
"structure_string": "Na1 Mg6 Ga1\n1.0\n6.411576 0.024882 0.000000\n-3.184240 5.515265 0.000000\n0.000000 0.000000 5.125458\nNa Mg Ga\n1 6 1\ndirect\n0.166124 0.333062 0.250000 Na\n0.667666 0.332434 0.250000 Mg\n0.667666 0.835230 0.250000 Mg\n0.330080 0.158936 0.750000 Mg\n0.330080 0.671142 0.750000 Mg\n0.826578 0.163288 0.750000 Mg\n0.835339 0.667669 0.750000 Mg\n0.176469 0.838233 0.250000 Ga\n",
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{
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"created_at": "2022-09-04T14:35:55.158304Z",
"updated_at": "2022-09-04T14:35:55.158329Z",
"structure_string": "Mg6 Ga1 Bi1\n1.0\n6.543127 -0.196906 0.000000\n-3.442089 5.568061 0.000000\n0.000000 0.000000 5.196778\nMg Ga Bi\n6 1 1\ndirect\n0.163420 0.828182 0.250000 Mg\n0.671817 0.336579 0.250000 Mg\n0.670462 0.829537 0.250000 Mg\n0.337408 0.652156 0.750000 Mg\n0.847843 0.162592 0.750000 Mg\n0.831093 0.668907 0.750000 Mg\n0.133277 0.366723 0.250000 Ga\n0.344681 0.155319 0.750000 Bi\n",
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{
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"structure_string": "Mg6 V1 Co1\n1.0\n6.086982 0.171690 0.000000\n-2.894803 5.013946 0.000000\n0.000000 0.000000 4.739832\nMg V Co\n6 1 1\ndirect\n0.652477 0.327254 0.250000 Mg\n0.652478 0.825223 0.250000 Mg\n0.328319 0.164682 0.750000 Mg\n0.328319 0.663637 0.750000 Mg\n0.873945 0.186973 0.750000 Mg\n0.853702 0.676852 0.750000 Mg\n0.148338 0.824170 0.250000 V\n0.162423 0.331211 0.250000 Co\n",
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}