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{
"id": "jvasp-119623",
"created_at": "2022-09-04T14:38:51.778380Z",
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"structure_string": "Mg2 B4 H16\n1.0\n5.531604 -0.000000 0.000000\n0.000000 5.531604 0.000000\n-0.000000 -0.000000 5.924210\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750117 0.250118 0.750000 B\n0.249882 0.749882 0.750000 B\n0.749882 0.750117 0.250000 B\n0.250118 0.249882 0.250000 B\n0.360196 0.827820 0.586106 H\n0.639803 0.172180 0.586106 H\n0.219227 0.035065 0.286554 H\n0.780772 0.964934 0.286554 H\n0.035065 0.780772 0.713446 H\n0.964934 0.219227 0.713446 H\n0.139803 0.327820 0.086106 H\n0.672179 0.139803 0.913894 H\n0.327820 0.860196 0.913894 H\n0.827820 0.639803 0.413894 H\n0.464935 0.280773 0.213446 H\n0.535064 0.719227 0.213446 H\n0.280773 0.535064 0.786554 H\n0.719227 0.464935 0.786554 H\n0.860196 0.672179 0.086106 H\n0.172180 0.360196 0.413894 H\n",
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{
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"created_at": "2022-09-04T14:36:15.902588Z",
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"structure_string": "U3 Sn3 Ru3\n1.0\n0.000000 0.000000 -4.007792\n-3.670209 -6.356989 0.000000\n-3.671246 6.357586 0.000000\nU Sn Ru\n3 3 3\ndirect\n0.500000 0.585761 -0.000000 U\n0.500000 0.414268 0.414207 U\n0.500000 0.000062 0.585794 U\n0.000000 0.253641 -0.000000 Sn\n0.000000 0.746325 0.746338 Sn\n0.000000 -0.000011 0.253663 Sn\n0.000000 0.333276 0.666654 Ru\n0.000000 0.666624 0.333347 Ru\n0.500000 0.999956 -0.000000 Ru\n",
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{
"id": "jvasp-71217",
"created_at": "2022-09-04T14:36:04.478032Z",
"updated_at": "2022-09-04T14:36:04.478051Z",
"structure_string": "Ti2 Be1 Co1\n1.0\n2.881028 0.000000 0.000000\n0.000000 2.881028 0.000000\n0.000000 0.000000 6.168323\nTi Be Co\n2 1 1\ndirect\n0.000000 0.000000 0.965636 Ti\n0.500000 0.500000 0.273023 Ti\n0.000000 0.000000 0.545901 Be\n0.500000 0.500000 0.715440 Co\n",
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{
"id": "jvasp-62854",
"created_at": "2022-09-04T14:36:08.812299Z",
"updated_at": "2022-09-04T14:36:08.812333Z",
"structure_string": "Mg2 B4 H16\n1.0\n5.559273 -0.000000 0.000000\n0.000000 5.559273 -0.000000\n0.000000 0.000000 5.947636\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750149 0.250146 0.250030 B\n0.249851 0.749854 0.250030 B\n0.250146 0.249851 0.749971 B\n0.749854 0.750149 0.749971 B\n0.359489 0.827774 0.413868 H\n0.640511 0.172225 0.413868 H\n0.780531 0.964575 0.713700 H\n0.219468 0.035425 0.713700 H\n0.035425 0.780531 0.286301 H\n0.964575 0.219468 0.286301 H\n0.859677 0.672133 0.913665 H\n0.672133 0.140323 0.086336 H\n0.327866 0.859677 0.086336 H\n0.172225 0.359489 0.586132 H\n0.535473 0.719308 0.786365 H\n0.464526 0.280692 0.786365 H\n0.280692 0.535473 0.213636 H\n0.719308 0.464526 0.213636 H\n0.140323 0.327866 0.913665 H\n0.827774 0.640511 0.586132 H\n",
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{
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"created_at": "2022-09-04T14:38:13.965973Z",
"updated_at": "2022-09-04T14:38:13.965997Z",
"structure_string": "Th4 Si1 Ge1\n1.0\n5.860677 0.031355 -1.526439\n-3.494773 4.704794 -1.526439\n-0.015663 -0.031355 6.056179\nTh Si Ge\n4 1 1\ndirect\n0.914204 0.414203 0.828406 Th\n0.585797 0.085796 0.171593 Th\n0.085797 0.914203 0.500000 Th\n0.414204 0.585796 0.500000 Th\n0.500000 0.499999 -0.000000 Si\n0.000000 0.000000 0.000000 Ge\n",
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{
"id": "jvasp-64925",
"created_at": "2022-09-04T14:36:15.349603Z",
"updated_at": "2022-09-04T14:36:15.349632Z",
"structure_string": "Zr1 Be2 V1\n1.0\n-1.827433 1.827433 4.079941\n1.827433 -1.827433 4.079941\n1.827433 1.827433 -4.079941\nZr Be V\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 V\n",
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{
"id": "jvasp-119389",
"created_at": "2022-09-04T14:38:52.423430Z",
"updated_at": "2022-09-04T14:38:52.423454Z",
"structure_string": "Li4 Ti5 Co3 O16\n1.0\n5.733970 -0.027825 0.031761\n2.792439 5.008140 0.031761\n-0.000394 -0.000230 9.487742\nLi Ti Co O\n4 5 3 16\ndirect\n0.332817 0.332818 0.108759 Li\n0.011324 0.011324 0.007440 Li\n0.008111 0.008111 0.503805 Li\n0.663119 0.663120 0.598093 Li\n0.824497 0.824498 0.276348 Ti\n0.651032 0.159316 0.781123 Ti\n0.335269 0.335269 0.497820 Ti\n0.159316 0.651031 0.781123 Ti\n0.654294 0.654294 0.007654 Ti\n0.343541 0.833236 0.287616 Co\n0.174624 0.174623 0.788375 Co\n0.833235 0.343542 0.287616 Co\n0.832763 0.832764 0.904816 O\n0.827012 0.335409 0.905568 O\n0.665354 0.665355 0.396115 O\n0.517455 0.967977 0.159253 O\n0.967976 0.517456 0.159253 O\n0.169778 0.169778 0.396731 O\n0.031734 0.488911 0.652690 O\n0.481999 0.481999 0.664428 O\n0.171839 0.671593 0.403280 O\n0.006928 0.006928 0.194865 O\n0.004487 0.004487 0.693612 O\n0.335845 0.335845 0.901775 O\n0.521391 0.521392 0.170850 O\n0.671593 0.171840 0.403280 O\n0.488912 0.031734 0.652690 O\n0.335409 0.827012 0.905568 O\n",
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"formula_full": "Li4 Ti5 Co3 O16",
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{
"id": "jvasp-44621",
"created_at": "2022-09-04T14:36:10.081145Z",
"updated_at": "2022-09-04T14:36:10.081162Z",
"structure_string": "Li5 Mn3 Nb2 O10\n1.0\n5.311830 0.069730 0.035580\n1.032521 5.121436 0.000193\n2.608117 2.102202 7.251939\nLi Mn Nb O\n5 3 2 10\ndirect\n0.528490 0.780376 0.399617 Li\n0.506277 0.602252 0.786374 Li\n0.000000 0.500000 0.500000 Li\n0.493724 0.397748 0.213626 Li\n0.471511 0.219624 0.600382 Li\n0.500000 -0.000000 -0.000000 Mn\n0.989403 0.306937 0.899043 Mn\n0.010598 0.693063 0.100957 Mn\n0.993071 0.092952 0.323151 Nb\n0.006930 0.907048 0.676849 Nb\n0.248852 0.336166 0.058269 O\n0.233062 0.952985 0.846363 O\n0.751148 0.663835 0.941731 O\n0.747433 0.837740 0.548848 O\n0.257885 0.775445 0.243052 O\n0.230010 0.561284 0.654859 O\n0.769991 0.438717 0.345140 O\n0.742116 0.224555 0.756948 O\n0.252567 0.162260 0.451152 O\n0.766939 0.047015 0.153636 O\n",
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{
"id": "jvasp-62827",
"created_at": "2022-09-04T14:35:42.835573Z",
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"structure_string": "Mg2 B4 H16\n1.0\n0.000000 5.334863 -0.000317\n4.306030 0.000000 0.000000\n0.000000 -0.000563 -8.451117\nMg B H\n2 4 16\ndirect\n0.716304 0.000000 0.995663 Mg\n0.283694 0.000000 0.495661 Mg\n0.055302 0.500000 0.523075 B\n0.944698 0.500000 0.023077 B\n0.472880 0.000000 0.753797 B\n0.527118 0.000000 0.253795 B\n0.475449 0.759588 0.323808 H\n0.524552 0.240413 0.823809 H\n0.524552 0.759587 0.823809 H\n0.475449 0.240412 0.323808 H\n0.244895 0.000000 0.736605 H\n0.755103 0.000000 0.236604 H\n0.404421 0.000000 0.129997 H\n0.996599 0.278165 0.936751 H\n0.003402 0.721836 0.436747 H\n0.932974 0.500000 0.643012 H\n0.996599 0.721835 0.936751 H\n0.003402 0.278164 0.436747 H\n0.718114 0.500000 0.055960 H\n0.281887 0.500000 0.555958 H\n0.595573 0.000000 0.629999 H\n0.067029 0.500000 0.143014 H\n",
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{
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{
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"structure_string": "Ce1 Fe2 Si2\n1.0\n3.761740 -0.000000 -1.411414\n-0.529566 3.724277 -1.411414\n-0.066470 -0.076591 5.541492\nCe Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.750001 0.500001 Fe\n0.750000 0.250000 0.500001 Fe\n0.636157 0.636158 0.272316 Si\n0.363842 0.363843 0.727685 Si\n",
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}