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{
"id": "jvasp-93146",
"created_at": "2022-09-04T14:36:03.220407Z",
"updated_at": "2022-09-04T14:36:03.220431Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.629792 -0.072806 0.000000\n-3.377948 5.705165 0.000000\n0.000000 0.000000 5.034253\nCe Hf Mg\n1 1 6\ndirect\n0.189952 0.310048 0.250000 Ce\n0.314110 0.185890 0.750000 Hf\n0.184166 0.832052 0.250000 Mg\n0.667948 0.315834 0.250000 Mg\n0.667336 0.832664 0.250000 Mg\n0.327843 0.678794 0.750000 Mg\n0.821206 0.172156 0.750000 Mg\n0.827437 0.672562 0.750000 Mg\n",
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{
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"structure_string": "Mg6 Ti1 B1\n1.0\n6.670008 0.610803 0.000000\n-2.806033 4.860192 0.000000\n0.000000 0.000000 4.451564\nMg Ti B\n6 1 1\ndirect\n0.618702 0.310482 0.250000 Mg\n0.618702 0.808217 0.250000 Mg\n0.325781 0.160132 0.749999 Mg\n0.325781 0.665649 0.749999 Mg\n0.831778 0.165889 0.749999 Mg\n0.909258 0.704628 0.749999 Mg\n0.130270 0.315134 0.250000 Ti\n0.239731 0.869865 0.250000 B\n",
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{
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"updated_at": "2022-09-04T14:36:06.935653Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.229824 0.015191 0.000000\n-3.101755 5.402780 0.000000\n0.000000 0.000000 4.833770\nMg Nb Ga\n6 1 1\ndirect\n0.171551 0.833007 0.250000 Mg\n0.666993 0.328448 0.250000 Mg\n0.667807 0.832192 0.250000 Mg\n0.330463 0.657172 0.750000 Mg\n0.842827 0.169536 0.750000 Mg\n0.833338 0.666661 0.750000 Mg\n0.173508 0.326491 0.250000 Nb\n0.313506 0.186493 0.750000 Ga\n",
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"formula_full": "Mg6 Nb1 Ga1",
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"spacegroup": 38
},
{
"id": "jvasp-94235",
"created_at": "2022-09-04T14:36:06.184906Z",
"updated_at": "2022-09-04T14:36:06.184917Z",
"structure_string": "Mg6 V1 Fe1\n1.0\n6.120377 0.161971 0.000000\n-2.919917 5.057443 0.000000\n0.000000 0.000000 4.793286\nMg V Fe\n6 1 1\ndirect\n0.653503 0.327315 0.250000 Mg\n0.653502 0.826185 0.250000 Mg\n0.327864 0.163577 0.750001 Mg\n0.327864 0.664286 0.750001 Mg\n0.868646 0.184323 0.750001 Mg\n0.855183 0.677592 0.750001 Mg\n0.152113 0.826056 0.250000 V\n0.161323 0.330660 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.7847283662225326,
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"volume": 150.6357216760715,
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"formula_full": "Mg6 V1 Fe1",
"formula_reduced": "Mg6VFe",
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"spacegroup": 38
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{
"id": "jvasp-93129",
"created_at": "2022-09-04T14:36:09.356055Z",
"updated_at": "2022-09-04T14:36:09.356074Z",
"structure_string": "Ce1 Mg6 B1\n1.0\n6.448128 0.955945 0.000000\n-2.396191 6.062213 0.000000\n0.000000 0.000000 4.316541\nCe Mg B\n1 6 1\ndirect\n0.119874 0.380125 0.250000 Ce\n0.205633 0.924033 0.250000 Mg\n0.575967 0.294366 0.250000 Mg\n0.688670 0.811329 0.250000 Mg\n0.404944 0.643934 0.750000 Mg\n0.856065 0.095055 0.750000 Mg\n0.888958 0.611041 0.750000 Mg\n0.259888 0.240112 0.750000 B\n",
"nsites": 8,
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"elements": [
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"density": 2.7587853903583004,
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"volume": 178.6208501426841,
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"formula_full": "Ce1 Mg6 B1",
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"spacegroup": 38
},
{
"id": "jvasp-106141",
"created_at": "2022-09-04T14:36:06.952516Z",
"updated_at": "2022-09-04T14:36:06.952542Z",
"structure_string": "Al1 Ni6 Ge1\n1.0\n3.574996 0.000000 0.000000\n0.000000 3.574996 -0.000000\n0.000000 -0.000000 7.156273\nAl Ni Ge\n1 6 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.000000 Ni\n0.500001 0.500001 0.500000 Ni\n0.500001 0.000000 0.249689 Ni\n0.500001 0.000000 0.750311 Ni\n0.000000 0.500001 0.249689 Ni\n0.000000 0.500001 0.750311 Ni\n0.000000 0.000000 0.500000 Ge\n",
"nsites": 8,
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"elements": [
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"Ge"
],
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"density": 8.202381065921829,
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"volume": 91.4614369413317,
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"formula_full": "Al1 Ni6 Ge1",
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"spacegroup": 123
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{
"id": "jvasp-94128",
"created_at": "2022-09-04T14:36:09.261366Z",
"updated_at": "2022-09-04T14:36:09.261392Z",
"structure_string": "Hf1 Mg6 Co1\n1.0\n6.335700 0.345905 0.000000\n-2.868287 4.968018 0.000000\n0.000000 0.000000 4.867629\nHf Mg Co\n1 6 1\ndirect\n0.136224 0.818112 0.250000 Hf\n0.638777 0.322080 0.250000 Mg\n0.638776 0.816695 0.250000 Mg\n0.335545 0.170575 0.750000 Mg\n0.335545 0.664971 0.750000 Mg\n0.894778 0.197389 0.750000 Mg\n0.834502 0.667251 0.750000 Mg\n0.185849 0.342924 0.250000 Co\n",
"nsites": 8,
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"elements": [
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"Mg",
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],
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"density": 4.026813542190365,
"density_atomic": 0.05061935720843736,
"volume": 158.04230715649112,
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"formula_full": "Hf1 Mg6 Co1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-91799",
"created_at": "2022-09-04T14:36:08.494441Z",
"updated_at": "2022-09-04T14:36:08.494467Z",
"structure_string": "Li1 Nb1 F6\n1.0\n-2.560049 -4.434134 -0.000000\n2.560048 -4.434134 -0.000000\n-0.000000 -2.956089 4.608755\nLi Nb F\n1 1 6\ndirect\n0.499999 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Nb\n0.879037 0.631014 0.243961 F\n0.631014 0.245986 0.243961 F\n0.245986 0.879037 0.243961 F\n0.120962 0.368985 0.756040 F\n0.368985 0.754013 0.756040 F\n0.754013 0.120962 0.756040 F\n",
"nsites": 8,
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"elements": [
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"F"
],
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"density": 3.3936179600323935,
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"volume": 104.633468961243,
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"formula_full": "Li1 Nb1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
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{
"id": "jvasp-94104",
"created_at": "2022-09-04T14:36:08.115372Z",
"updated_at": "2022-09-04T14:36:08.115400Z",
"structure_string": "Mg6 Ni1 Mo1\n1.0\n6.083056 0.138986 0.000000\n-2.921163 5.059602 0.000000\n0.000000 0.000000 4.725323\nMg Ni Mo\n6 1 1\ndirect\n0.650026 0.325968 0.250000 Mg\n0.650026 0.824057 0.250000 Mg\n0.329022 0.159746 0.750000 Mg\n0.329022 0.669277 0.750000 Mg\n0.874829 0.187415 0.750000 Mg\n0.853153 0.676577 0.750000 Mg\n0.167463 0.333731 0.250000 Ni\n0.146465 0.823231 0.250000 Mo\n",
"nsites": 8,
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},
{
"id": "jvasp-94150",
"created_at": "2022-09-04T14:36:01.609020Z",
"updated_at": "2022-09-04T14:36:01.609059Z",
"structure_string": "Mg6 Co1 Sn1\n1.0\n6.184417 0.008767 0.000000\n-3.084616 5.360245 0.000000\n0.000000 0.000000 4.825450\nMg Co Sn\n6 1 1\ndirect\n0.163443 0.819248 0.250000 Mg\n0.680751 0.336557 0.250000 Mg\n0.666688 0.833311 0.250000 Mg\n0.325271 0.643462 0.750000 Mg\n0.856538 0.174729 0.750000 Mg\n0.831384 0.668616 0.750000 Mg\n0.146474 0.353525 0.250000 Co\n0.329450 0.170550 0.750000 Sn\n",
"nsites": 8,
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"density": 3.355150680617539,
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{
"id": "jvasp-92909",
"created_at": "2022-09-04T14:36:08.550352Z",
"updated_at": "2022-09-04T14:36:08.550367Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.771141 1.508280 0.000000\n-2.079361 6.618119 0.000000\n0.000000 0.000000 3.263100\nMg Cr B\n6 1 1\ndirect\n0.216177 0.954970 0.250000 Mg\n0.545030 0.283823 0.250000 Mg\n0.658867 0.841133 0.250000 Mg\n0.363107 0.607220 0.750000 Mg\n0.892780 0.136893 0.750000 Mg\n0.911413 0.588587 0.750000 Mg\n0.148763 0.351237 0.250000 Cr\n0.263863 0.236137 0.750000 B\n",
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{
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"structure_string": "Mg6 Nb1 Cu1\n1.0\n6.254646 0.164619 0.000000\n-2.984760 5.169754 0.000000\n0.000000 0.000000 4.789793\nMg Nb Cu\n6 1 1\ndirect\n0.646485 0.323630 0.250000 Mg\n0.646485 0.822852 0.250000 Mg\n0.332291 0.160550 0.749999 Mg\n0.332291 0.671740 0.749999 Mg\n0.876720 0.188360 0.749999 Mg\n0.843362 0.671681 0.749999 Mg\n0.143465 0.821732 0.250000 Nb\n0.178903 0.339451 0.250000 Cu\n",
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