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{
"id": "jvasp-93124",
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"structure_string": "Li1 Hf1 Mg6\n1.0\n6.016509 -1.611952 0.000000\n-4.404246 7.628376 0.000000\n0.000000 0.000000 4.525304\nLi Hf Mg\n1 1 6\ndirect\n0.249810 0.374904 0.250000 Li\n0.250075 0.875037 0.250000 Hf\n0.749994 0.375042 0.250000 Mg\n0.749994 0.874953 0.250000 Mg\n0.250022 0.121157 0.749999 Mg\n0.250022 0.628866 0.749999 Mg\n0.742358 0.121179 0.749999 Mg\n0.757724 0.628863 0.749999 Mg\n",
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{
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"structure_string": "Rb1 Mg6 V1\n1.0\n6.634969 -0.001102 0.000000\n-3.318439 5.745500 0.000000\n0.000000 0.000000 5.293390\nRb Mg V\n1 6 1\ndirect\n0.416647 0.083353 0.750000 Rb\n0.060511 0.905343 0.250000 Mg\n0.594657 0.439488 0.250000 Mg\n0.594669 0.905331 0.250000 Mg\n0.395755 0.572886 0.750000 Mg\n0.927114 0.104245 0.750000 Mg\n0.927281 0.572720 0.750000 Mg\n0.083365 0.416635 0.250000 V\n",
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{
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"updated_at": "2022-09-04T14:36:05.247640Z",
"structure_string": "K1 As1 F6\n1.0\n4.846094 -0.021910 -0.673960\n-0.771188 4.784389 -0.673960\n-0.018747 -0.021910 4.892699\nK As F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.742727 0.079102 0.742728 F\n0.079101 0.742728 0.742728 F\n0.257271 0.257272 0.920898 F\n0.920897 0.257272 0.257272 F\n0.257271 0.920898 0.257272 F\n0.742727 0.742728 0.079102 F\n",
"nsites": 8,
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"density_atomic": 0.07066275629154874,
"volume": 113.21381191235531,
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"formula_full": "K1 As1 F6",
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{
"id": "jvasp-92906",
"created_at": "2022-09-04T14:36:00.553173Z",
"updated_at": "2022-09-04T14:36:00.553207Z",
"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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"elements": [
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"density": 2.3283579073983125,
"density_atomic": 0.03800334267701319,
"volume": 210.50779843213377,
"volume_molar": 15.84634491545021,
"formula_full": "Ba1 Mg6 C1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-94069",
"created_at": "2022-09-04T14:36:05.779320Z",
"updated_at": "2022-09-04T14:36:05.779346Z",
"structure_string": "Mg6 Ti1 V1\n1.0\n6.248694 0.126877 0.000000\n-3.014469 5.221212 0.000000\n0.000000 0.000000 4.981249\nMg Ti V\n6 1 1\ndirect\n0.657035 0.329414 0.250000 Mg\n0.657034 0.827621 0.250000 Mg\n0.329229 0.164945 0.750000 Mg\n0.329229 0.664286 0.750000 Mg\n0.858236 0.179119 0.750000 Mg\n0.851200 0.675601 0.750000 Mg\n0.156507 0.828253 0.250000 Ti\n0.161525 0.330762 0.250000 V\n",
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"density": 2.4706629806592093,
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"formula_full": "Mg6 Ti1 V1",
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{
"id": "jvasp-94759",
"created_at": "2022-09-04T14:36:06.083094Z",
"updated_at": "2022-09-04T14:36:06.083116Z",
"structure_string": "Sr1 Mg6 Al1\n1.0\n6.520767 0.813220 0.000000\n-2.556114 6.053757 0.000000\n0.000000 0.000000 4.904290\nSr Mg Al\n1 6 1\ndirect\n0.384576 0.115425 0.750000 Sr\n0.101375 0.799831 0.250000 Mg\n0.700170 0.398626 0.250000 Mg\n0.626062 0.873939 0.250000 Mg\n0.295069 0.593376 0.750000 Mg\n0.906624 0.204931 0.750000 Mg\n0.809284 0.690717 0.750000 Mg\n0.176843 0.323157 0.250000 Al\n",
"nsites": 8,
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"density": 2.1220497293853313,
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{
"id": "jvasp-94152",
"created_at": "2022-09-04T14:36:07.036737Z",
"updated_at": "2022-09-04T14:36:07.036765Z",
"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",
"nsites": 8,
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"volume": 157.23132269689762,
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"formula_full": "Mg6 Nb1 Cu1",
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{
"id": "jvasp-90447",
"created_at": "2022-09-04T14:36:04.947304Z",
"updated_at": "2022-09-04T14:36:04.947333Z",
"structure_string": "Ce1 Mg6 B1\n1.0\n7.223391 0.904091 0.000000\n-2.828729 4.899502 0.000000\n0.000000 0.000000 4.614045\nCe Mg B\n1 6 1\ndirect\n0.109860 0.304930 0.250000 Ce\n0.606936 0.304960 0.250000 Mg\n0.606936 0.801974 0.250000 Mg\n0.339066 0.160361 0.750001 Mg\n0.339066 0.678706 0.750001 Mg\n0.787898 0.143949 0.750001 Mg\n0.934747 0.717374 0.750001 Mg\n0.275486 0.887742 0.250000 B\n",
"nsites": 8,
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"density": 2.8143249132005805,
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"formula_full": "Ce1 Mg6 B1",
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{
"id": "jvasp-94138",
"created_at": "2022-09-04T14:36:06.193524Z",
"updated_at": "2022-09-04T14:36:06.193558Z",
"structure_string": "Na1 Mg6 Co1\n1.0\n6.369643 -0.066719 0.000000\n-3.242602 5.482912 0.000000\n0.000000 0.000000 4.923416\nNa Mg Co\n1 6 1\ndirect\n0.326172 0.173828 0.750001 Na\n0.170412 0.815386 0.250000 Mg\n0.684614 0.329588 0.250000 Mg\n0.670349 0.829651 0.250000 Mg\n0.324694 0.642272 0.750001 Mg\n0.857728 0.175306 0.750001 Mg\n0.835902 0.664098 0.750001 Mg\n0.130130 0.369870 0.250000 Co\n",
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{
"id": "jvasp-91909",
"created_at": "2022-09-04T14:36:05.171005Z",
"updated_at": "2022-09-04T14:36:05.171027Z",
"structure_string": "Rb1 Mg6 W1\n1.0\n6.555231 -1.757263 0.000000\n-4.799449 8.312889 0.000000\n0.000000 0.000000 4.262857\nRb Mg W\n1 6 1\ndirect\n0.250061 0.375031 0.250000 Rb\n0.749903 0.374885 0.250000 Mg\n0.749903 0.875018 0.250000 Mg\n0.249995 0.081936 0.750001 Mg\n0.249995 0.668061 0.750001 Mg\n0.663896 0.081949 0.750001 Mg\n0.836151 0.668076 0.750001 Mg\n0.250097 0.875048 0.250000 W\n",
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{
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"created_at": "2022-09-04T14:36:00.219081Z",
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"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.406087 -0.043768 0.000000\n-3.240948 5.525949 0.000000\n0.000000 0.000000 4.929089\nMg Fe Bi\n6 1 1\ndirect\n0.161951 0.810253 0.250000 Mg\n0.689747 0.338049 0.250000 Mg\n0.666771 0.833229 0.250000 Mg\n0.327121 0.644643 0.750000 Mg\n0.855358 0.172879 0.750000 Mg\n0.831649 0.668351 0.750000 Mg\n0.135125 0.364875 0.250000 Fe\n0.332278 0.167722 0.750000 Bi\n",
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{
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"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
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