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{
"id": "jvasp-112128",
"created_at": "2022-09-04T14:38:42.918034Z",
"updated_at": "2022-09-04T14:38:42.918072Z",
"structure_string": "Zn1 H14 C9 O4\n1.0\n4.125313 0.042299 0.260719\n1.888657 4.067729 0.195091\n0.284870 -0.314721 13.852208\nZn H C O\n1 14 9 4\ndirect\n0.030176 0.025371 0.173616 Zn\n0.717681 0.302740 0.580969 H\n0.212070 0.769776 0.860718 H\n0.904942 0.594265 0.861954 H\n0.233572 0.791455 0.672870 H\n0.937080 0.604934 0.671216 H\n0.414866 0.125134 0.576196 H\n0.310469 0.794947 0.488061 H\n0.660237 0.245087 0.937841 H\n0.343152 0.084023 0.944351 H\n0.668503 0.294407 0.760062 H\n0.365649 0.114922 0.760805 H\n0.810146 0.268792 0.405002 H\n0.478849 0.140013 0.385098 H\n0.010106 0.616287 0.480197 H\n0.238546 0.465824 0.044563 C\n0.367541 0.318301 0.943898 C\n0.194513 0.532573 0.857888 C\n0.379017 0.355057 0.762268 C\n0.296075 0.555934 0.485361 C\n0.429347 0.364620 0.578398 C\n0.521794 0.362553 0.395770 C\n0.447870 0.552810 0.301836 C\n0.224422 0.549597 0.671332 C\n0.082303 0.780964 0.053138 O\n0.673076 0.465214 0.228398 O\n0.148695 0.811729 0.300024 O\n0.310685 0.267222 0.115604 O\n",
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"structure_string": "Mn6 O1 F11\n1.0\n4.837698 0.048711 -0.000000\n0.048711 4.837698 0.000000\n0.000000 -0.000000 9.876547\nMn O F\n6 1 11\ndirect\n0.010249 0.989752 0.011461 Mn\n0.010249 0.989752 0.321872 Mn\n0.002253 0.997747 0.666667 Mn\n0.506293 0.493707 0.835520 Mn\n0.472871 0.527129 0.166667 Mn\n0.506293 0.493707 0.497813 Mn\n0.190142 0.809859 0.166667 O\n0.778916 0.221085 0.166667 F\n0.704684 0.685425 0.666667 F\n0.691264 0.703201 0.332341 F\n0.691264 0.703201 0.000993 F\n0.199465 0.800535 0.833904 F\n0.296799 0.308736 0.332341 F\n0.296799 0.308736 0.000993 F\n0.814209 0.185791 0.490824 F\n0.199465 0.800535 0.499429 F\n0.314576 0.295316 0.666667 F\n0.814209 0.185791 0.842509 F\n",
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"formula_full": "Mn6 O1 F11",
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},
{
"id": "jvasp-2670",
"created_at": "2022-09-04T14:36:35.653231Z",
"updated_at": "2022-09-04T14:36:35.653255Z",
"structure_string": "Al2 Cd1 Te4\n1.0\n5.694669 0.000001 -2.515219\n-1.110922 5.585258 -2.515218\n-0.130260 -0.158721 7.409296\nAl Cd Te\n2 1 4\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Cd\n0.414415 0.391058 0.277022 Te\n0.114036 0.585585 0.722978 Te\n0.608942 0.137393 0.722978 Te\n0.862608 0.885964 0.277022 Te\n",
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{
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"created_at": "2022-09-04T14:35:53.938383Z",
"updated_at": "2022-09-04T14:35:53.938402Z",
"structure_string": "Eu4 Ga6 Ir2\n1.0\n5.558464 0.000146 0.000022\n-2.779327 4.813672 0.000680\n-0.000073 -0.001211 8.637520\nEu Ga Ir\n4 6 2\ndirect\n0.333331 0.666648 0.450275 Eu\n0.666667 0.333349 0.950287 Eu\n0.333329 0.666680 0.049714 Eu\n0.666670 0.333319 0.549723 Eu\n0.835316 0.670624 0.249999 Ga\n0.835299 0.164710 0.250000 Ga\n0.164695 0.835286 0.749990 Ga\n0.329413 0.164708 0.250006 Ga\n0.670586 0.835286 0.749995 Ga\n0.164688 0.329382 0.750010 Ga\n0.000004 0.000006 -0.000000 Ir\n0.000002 0.000005 0.500000 Ir\n",
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{
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"created_at": "2022-09-04T14:36:13.247743Z",
"updated_at": "2022-09-04T14:36:13.247772Z",
"structure_string": "Ba4 Rh1 Br1\n1.0\n-0.000000 4.870777 4.870777\n4.870777 0.000000 4.870777\n4.870777 4.870777 0.000000\nBa Rh Br\n4 1 1\ndirect\n0.123313 0.625563 0.625563 Ba\n0.625563 0.625563 0.625563 Ba\n0.625563 0.123313 0.625563 Ba\n0.625563 0.625563 0.123313 Ba\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Br\n",
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{
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"created_at": "2022-09-04T14:35:44.003439Z",
"updated_at": "2022-09-04T14:35:44.003470Z",
"structure_string": "Ba4 Mg1 Tc1\n1.0\n0.000000 4.870624 4.870624\n4.870624 0.000000 4.870624\n4.870624 4.870624 0.000000\nBa Mg Tc\n4 1 1\ndirect\n0.121843 0.626052 0.626052 Ba\n0.626052 0.626052 0.626052 Ba\n0.626052 0.121843 0.626052 Ba\n0.626052 0.626052 0.121843 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tc\n",
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"spacegroup": 216
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{
"id": "jvasp-86828",
"created_at": "2022-09-04T14:36:08.634324Z",
"updated_at": "2022-09-04T14:36:08.634348Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260670 -0.000000 1.697288\n2.630335 4.883951 0.848644\n0.002090 -0.000000 8.994769\nCa B Rh\n3 6 8\ndirect\n0.681576 0.000000 0.636846 Ca\n0.318424 0.000000 0.363154 Ca\n0.500000 0.000000 0.000000 Ca\n0.832913 0.334175 -0.000000 B\n0.986974 0.682461 0.343591 B\n0.167088 0.665824 -0.000000 B\n0.013027 0.317538 0.656409 B\n0.330566 0.682461 0.656409 B\n0.669435 0.317538 0.343591 B\n0.913220 0.000000 0.173559 Rh\n0.415108 0.500000 0.169784 Rh\n0.086779 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169784 Rh\n0.084892 0.500000 0.830216 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:36:09.273412Z",
"updated_at": "2022-09-04T14:36:09.273437Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260690 -0.000000 1.697295\n2.630345 4.883838 0.848647\n0.002078 -0.000000 8.994841\nCa B Rh\n3 6 8\ndirect\n0.681579 0.000000 0.636842 Ca\n0.318422 0.000000 0.363157 Ca\n0.500000 0.000000 -0.000000 Ca\n0.832919 0.334162 -0.000000 B\n0.986964 0.682479 0.343590 B\n0.167080 0.665838 0.000000 B\n0.013035 0.317522 0.656409 B\n0.330556 0.682479 0.656409 B\n0.669443 0.317522 0.343590 B\n0.913221 0.000000 0.173559 Rh\n0.415108 0.500000 0.169783 Rh\n0.086780 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169783 Rh\n0.084892 0.500000 0.830217 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
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{
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"created_at": "2022-09-04T14:38:17.052289Z",
"updated_at": "2022-09-04T14:38:17.052311Z",
"structure_string": "Ba4 Be1 Pd1\n1.0\n0.000000 4.870440 4.870440\n4.870440 0.000000 4.870440\n4.870440 4.870440 0.000000\nBa Be Pd\n4 1 1\ndirect\n0.123949 0.625351 0.625351 Ba\n0.625351 0.625351 0.625351 Ba\n0.625351 0.123949 0.625351 Ba\n0.625351 0.625351 0.123949 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:35:58.370330Z",
"updated_at": "2022-09-04T14:35:58.370365Z",
"structure_string": "Rb2 Nb1 Hg1 F6\n1.0\n5.964843 0.000000 3.443803\n1.988281 5.623708 3.443803\n0.000000 0.000000 6.887608\nRb Nb Hg F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n0.793721 0.206279 0.206278 F\n0.206278 0.206279 0.793722 F\n0.206278 0.793722 0.793721 F\n0.206278 0.793722 0.206278 F\n0.793721 0.206279 0.793721 F\n0.793721 0.793722 0.206278 F\n",
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{
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"created_at": "2022-09-04T14:35:50.530043Z",
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"structure_string": "Ba4 Y1 Ru1\n1.0\n-0.000000 4.870223 4.870223\n4.870223 -0.000000 4.870223\n4.870223 4.870223 -0.000000\nBa Y Ru\n4 1 1\ndirect\n0.128641 0.623785 0.623785 Ba\n0.623785 0.623785 0.623785 Ba\n0.623785 0.128641 0.623785 Ba\n0.623785 0.623785 0.128641 Ba\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Ru\n",
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{
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"structure_string": "Ba3 As2\n1.0\n6.136082 0.000000 0.000000\n0.000000 6.136082 -0.000000\n0.000000 -0.000000 6.136082\nBa As\n3 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
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}
]
}