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{
"id": "jvasp-46734",
"created_at": "2022-09-04T14:38:03.972018Z",
"updated_at": "2022-09-04T14:38:03.972048Z",
"structure_string": "Li3 Mn6 F18\n1.0\n8.703971 0.000000 0.000000\n-4.351985 7.537556 -0.000021\n0.000000 0.000035 4.624912\nLi Mn F\n3 6 18\ndirect\n0.333336 0.666675 0.506526 Li\n-0.000009 0.000000 0.000000 Li\n0.666660 0.333326 0.493474 Li\n0.685028 0.685031 0.499998 Mn\n0.314961 0.000000 0.500000 Mn\n0.649389 0.000000 0.000000 Mn\n-0.000002 0.314970 0.500002 Mn\n-0.000005 0.649391 -0.000004 Mn\n0.350604 0.350609 0.000004 Mn\n0.439566 0.225211 0.729319 F\n0.774784 0.214363 0.729318 F\n0.785639 0.560418 0.729314 F\n0.893594 0.773578 0.231911 F\n0.540915 0.106815 0.257077 F\n0.565894 0.459076 0.257087 F\n0.773583 0.893606 0.768075 F\n0.459082 0.565902 0.742930 F\n0.120017 0.226423 0.768089 F\n0.560420 0.785638 0.270682 F\n0.225222 0.439583 0.270685 F\n0.893180 0.434099 0.257069 F\n0.434100 0.893186 0.742923 F\n0.106819 0.540925 0.742913 F\n0.214357 0.774791 0.270681 F\n0.106387 0.879985 0.768073 F\n0.226403 0.120016 0.231927 F\n0.879977 0.106396 0.231925 F\n",
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{
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"structure_string": "Tb4 B16\n1.0\n8.509885 0.000000 0.000000\n0.000000 8.509885 0.000000\n0.000000 -0.000000 4.190566\nTb B\n4 16\ndirect\n0.139270 0.639270 0.000000 Tb\n0.639270 0.860729 0.000000 Tb\n0.360730 0.139270 0.000000 Tb\n0.860729 0.360730 0.000000 Tb\n0.127670 0.943755 0.000000 B\n0.056244 0.127670 0.000000 B\n0.435831 0.935831 0.500000 B\n0.935831 0.564168 0.500000 B\n0.064169 0.435831 0.500000 B\n0.564168 0.064169 0.500000 B\n0.500000 0.500000 0.307864 B\n0.500000 0.500000 0.692137 B\n0.872330 0.056244 0.000000 B\n0.000000 0.000000 0.307864 B\n0.443755 0.627669 0.000000 B\n0.556244 0.372330 0.000000 B\n0.627669 0.556244 0.000000 B\n0.372330 0.443755 0.000000 B\n0.000000 0.000000 0.692137 B\n0.943755 0.872330 0.000000 B\n",
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{
"id": "jvasp-119002",
"created_at": "2022-09-04T14:38:32.282099Z",
"updated_at": "2022-09-04T14:38:32.282119Z",
"structure_string": "Li4 Ti3 Mn3 Sn2 O16\n1.0\n6.022232 -0.027228 0.181367\n3.149006 5.133398 0.181367\n-0.075509 -0.042040 9.786537\nLi Ti Mn Sn O\n4 3 3 2 16\ndirect\n0.658696 0.658696 0.103179 Li\n0.995233 0.995232 0.010853 Li\n0.007399 0.007399 0.505781 Li\n0.334083 0.334083 0.599445 Li\n0.169214 0.169214 0.281156 Ti\n0.338511 0.832352 0.785275 Ti\n0.832352 0.338511 0.785275 Ti\n0.170020 0.660691 0.288319 Mn\n0.660691 0.170020 0.288319 Mn\n0.830687 0.830687 0.785701 Mn\n0.674037 0.674037 0.507511 Sn\n0.332864 0.332864 0.011017 Sn\n0.161196 0.161196 0.895927 O\n0.167636 0.679024 0.900911 O\n0.332160 0.332160 0.389600 O\n0.467883 0.023960 0.155497 O\n0.023960 0.467883 0.155497 O\n0.848827 0.848827 0.405648 O\n0.966934 0.505700 0.662062 O\n0.518610 0.518610 0.665007 O\n0.854330 0.333098 0.401357 O\n-0.001431 -0.001431 0.196450 O\n0.005591 0.005592 0.691222 O\n0.655587 0.655587 0.893962 O\n0.477051 0.477051 0.162868 O\n0.333099 0.854330 0.401357 O\n0.505700 0.966934 0.662062 O\n0.679023 0.167636 0.900911 O\n",
"nsites": 28,
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"volume": 303.4777223459988,
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"formula_full": "Li4 Ti3 Mn3 Sn2 O16",
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{
"id": "jvasp-116451",
"created_at": "2022-09-04T14:38:31.496968Z",
"updated_at": "2022-09-04T14:38:31.496979Z",
"structure_string": "As2 Au1\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nAs Au\n2 1\ndirect\n-0.032772 0.000000 -0.020829 As\n0.244782 0.000000 -0.003341 As\n-0.003075 0.000000 0.250473 Au\n",
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"spacegroup": 6
},
{
"id": "jvasp-117944",
"created_at": "2022-09-04T14:38:49.351285Z",
"updated_at": "2022-09-04T14:38:49.351321Z",
"structure_string": "C2 S1\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nC S\n2 1\ndirect\n-0.033593 0.000000 -0.047461 C\n0.165724 0.000000 -0.006724 C\n-0.005568 0.000000 0.207244 S\n",
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{
"id": "jvasp-117948",
"created_at": "2022-09-04T14:38:51.957325Z",
"updated_at": "2022-09-04T14:38:51.957361Z",
"structure_string": "C1 S2\n1.0\n8.466836 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nC S\n1 2\ndirect\n0.000586 0.000000 0.195958 C\n-0.032674 0.000000 -0.043371 S\n0.220921 0.000000 0.000471 S\n",
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},
{
"id": "jvasp-117702",
"created_at": "2022-09-04T14:38:47.236366Z",
"updated_at": "2022-09-04T14:38:47.236392Z",
"structure_string": "Be1 S2\n1.0\n8.466836 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nBe S\n1 2\ndirect\n0.003113 0.000000 0.193728 Be\n-0.036648 0.000000 -0.024779 S\n0.222369 0.000000 0.002835 S\n",
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{
"id": "jvasp-116251",
"created_at": "2022-09-04T14:38:41.314379Z",
"updated_at": "2022-09-04T14:38:41.314404Z",
"structure_string": "Li1 As2\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nLi As\n1 2\ndirect\n-0.000068 0.000000 0.240298 Li\n-0.032523 0.000000 -0.000864 As\n0.241526 0.000000 -0.000064 As\n",
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},
{
"id": "jvasp-5341",
"created_at": "2022-09-04T14:37:06.762160Z",
"updated_at": "2022-09-04T14:37:06.762185Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.648684 0.000000 -0.000000\n-2.824343 5.868777 -0.579391\n-0.000000 0.398120 9.115456\nNa Zr F\n5 2 13\ndirect\n0.809270 0.618541 0.111832 Na\n0.662589 0.325179 0.578407 Na\n-0.000000 -0.000000 0.500000 Na\n0.337411 0.674821 0.421594 Na\n0.190730 0.381460 0.888169 Na\n0.081607 0.163216 0.219508 Zr\n0.918393 0.836785 0.780493 Zr\n0.835016 0.110921 0.730842 F\n0.164984 0.889079 0.269159 F\n0.638505 0.705270 0.606394 F\n0.361495 0.294730 0.393606 F\n0.933234 0.294730 0.393606 F\n0.406861 0.349536 0.110791 F\n0.057325 0.650464 0.889209 F\n0.593139 0.650464 0.889209 F\n0.942675 0.349536 0.110791 F\n0.000000 0.000000 0.000000 F\n0.724094 0.889079 0.269159 F\n0.275906 0.110921 0.730842 F\n0.066766 0.705270 0.606394 F\n",
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{
"id": "jvasp-47823",
"created_at": "2022-09-04T14:36:44.285380Z",
"updated_at": "2022-09-04T14:36:44.285390Z",
"structure_string": "Li3 Fe3 Si3 O12\n1.0\n2.690915 -4.660802 -0.000000\n2.690915 4.660802 0.000000\n-0.000000 -0.000000 12.099466\nLi Fe Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000001 0.500000 0.833333 Fe\n0.500001 0.500001 0.166667 Fe\n0.500000 0.000001 0.500000 Fe\n0.000001 0.500000 0.333333 Si\n0.500001 0.500001 0.666667 Si\n0.500000 0.000001 0.000000 Si\n0.815008 0.605752 0.258763 O\n0.790746 0.605752 0.741237 O\n0.394249 0.184993 0.074570 O\n0.394249 0.209256 0.592096 O\n0.605752 0.790746 0.592096 O\n0.209256 0.815008 0.925431 O\n0.209256 0.394249 0.741237 O\n0.184993 0.394249 0.258763 O\n0.790746 0.184994 0.925431 O\n0.184994 0.790746 0.407904 O\n0.605752 0.815008 0.074570 O\n0.815008 0.209256 0.407904 O\n",
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{
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"created_at": "2022-09-04T14:36:37.856975Z",
"updated_at": "2022-09-04T14:36:37.857001Z",
"structure_string": "K2 Te1 Br6\n1.0\n6.532632 0.000000 3.771618\n2.177544 6.159025 3.771618\n-0.000000 -0.000000 7.543234\nK Te Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.000000 0.000000 0.000000 Te\n0.255107 0.744892 0.744893 Br\n0.744892 0.255107 0.255108 Br\n0.744892 0.744892 0.255108 Br\n0.255107 0.255107 0.744893 Br\n0.744892 0.255107 0.744893 Br\n0.255107 0.744892 0.255108 Br\n",
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{
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"created_at": "2022-09-04T14:35:50.612561Z",
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"structure_string": "Li2 Al2 Mo4 O16\n1.0\n6.231425 -0.018090 -2.356794\n-2.010816 6.781074 -0.054945\n0.015970 -0.053710 7.189055\nLi Al Mo O\n2 2 4 16\ndirect\n0.730039 0.553063 0.243474 Li\n0.269960 0.446937 0.756527 Li\n0.907736 0.099436 0.824004 Al\n0.092264 0.900563 0.175998 Al\n0.167181 0.423301 0.210601 Mo\n0.832819 0.576699 0.789401 Mo\n0.322732 0.966849 0.716472 Mo\n0.677268 0.033151 0.283530 Mo\n0.250603 0.425318 0.465641 O\n0.749397 0.574681 0.534361 O\n0.748271 0.040450 0.546356 O\n0.590794 0.484335 0.836585 O\n0.782308 0.275719 0.239427 O\n0.217691 0.724281 0.760574 O\n0.025063 0.624289 0.153752 O\n0.974937 0.375710 0.846250 O\n0.379329 0.946742 0.153060 O\n0.620671 0.053258 0.846942 O\n0.078163 0.153492 0.110806 O\n0.921837 0.846508 0.889196 O\n0.184806 0.131260 0.777606 O\n0.815194 0.868740 0.222396 O\n0.409206 0.515665 0.163417 O\n0.251729 0.959550 0.453646 O\n",
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"spacegroup": 2
}
]
}