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{
"id": "jvasp-53374",
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"structure_string": "Ba9 Nd2 S12\n1.0\n7.709106 -0.000236 -0.000150\n-3.854283 6.676394 0.000389\n-1.284314 -2.225412 14.430361\nBa Nd S\n9 2 12\ndirect\n0.758761 0.759152 0.238505 Ba\n0.500444 0.500830 0.500189 Ba\n0.242096 0.242497 0.761866 Ba\n0.600321 0.921581 0.762137 Ba\n0.079681 0.400928 0.238229 Ba\n0.830944 0.170332 0.500190 Ba\n0.400544 0.080072 0.238234 Ba\n0.169943 0.831327 0.500190 Ba\n0.921179 0.600731 0.762142 Ba\n0.333784 0.667462 0.000190 Nd\n0.667056 0.334183 0.000189 Nd\n0.964127 0.329319 0.891353 S\n0.789408 0.456950 0.367211 S\n0.211468 0.544707 0.633163 S\n0.036717 0.672327 0.109020 S\n0.599537 0.599941 0.891384 S\n0.401317 0.401716 0.108993 S\n0.876555 0.876950 0.626622 S\n0.671927 0.037114 0.109018 S\n0.124320 0.124709 0.373751 S\n0.544315 0.211867 0.633163 S\n0.456562 0.789791 0.367211 S\n0.328919 0.964533 0.891355 S\n",
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{
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"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
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{
"id": "jvasp-119037",
"created_at": "2022-09-04T14:38:33.110334Z",
"updated_at": "2022-09-04T14:38:33.110364Z",
"structure_string": "Rb12 Hg2 S8\n1.0\n10.404937 -0.000000 0.000000\n-5.202468 9.010939 0.000000\n-0.000000 -0.000000 7.905834\nRb Hg S\n12 2 8\ndirect\n0.148240 0.296479 0.203068 Rb\n0.055302 0.527650 0.880023 Rb\n0.472350 0.944698 0.880023 Rb\n0.944699 0.472350 0.380024 Rb\n0.527650 0.472350 0.380024 Rb\n0.527651 0.055302 0.380024 Rb\n0.472350 0.527650 0.880023 Rb\n0.851761 0.148240 0.703068 Rb\n0.851761 0.703521 0.703068 Rb\n0.703521 0.851760 0.203068 Rb\n0.148240 0.851760 0.203068 Rb\n0.296479 0.148240 0.703068 Rb\n0.333333 0.666667 0.501754 Hg\n0.666667 0.333333 0.001754 Hg\n0.192271 0.807729 0.603003 S\n0.333333 0.666667 0.162940 S\n0.666667 0.333333 0.662940 S\n0.807729 0.615457 0.103003 S\n0.807729 0.192271 0.103003 S\n0.384543 0.192271 0.103003 S\n0.192271 0.384543 0.603003 S\n0.615457 0.807729 0.603003 S\n",
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{
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"created_at": "2022-09-04T14:36:09.148521Z",
"updated_at": "2022-09-04T14:36:09.148547Z",
"structure_string": "Al1 Si1 Tc2\n1.0\n-8.313953 -0.000000 -4.800062\n-8.679234 -0.002182 5.432749\n-5.663368 8.527978 0.209114\nAl Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Si\n0.736166 0.000000 0.000000 Tc\n0.263834 0.000000 0.000000 Tc\n",
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{
"id": "jvasp-98068",
"created_at": "2022-09-04T14:35:50.734251Z",
"updated_at": "2022-09-04T14:35:50.734276Z",
"structure_string": "Ti3 H24 C12 N3 O30\n1.0\n8.939816 0.000000 0.000000\n-4.469908 7.742107 -0.000000\n-0.000000 -0.000000 10.697885\nTi H C N O\n3 24 12 3 30\ndirect\n-0.000000 0.500000 0.833333 Ti\n0.500000 0.500000 0.166667 Ti\n0.500000 0.000000 0.500000 Ti\n0.079895 0.974562 0.888904 H\n0.897808 0.263302 0.346523 H\n0.736698 0.634506 0.679857 H\n0.920105 0.894666 0.777764 H\n0.263302 0.897808 0.986811 H\n0.263302 0.365495 0.679857 H\n0.974562 0.894666 0.222237 H\n0.025439 0.920105 0.444430 H\n0.079895 0.105334 0.777764 H\n0.634506 0.736698 0.653477 H\n0.736698 0.102192 0.986811 H\n0.634506 0.897808 0.013189 H\n0.102192 0.736698 0.346523 H\n0.025439 0.105334 0.222237 H\n0.102192 0.365495 0.320144 H\n0.894666 0.920105 0.555571 H\n0.105334 0.025439 0.111096 H\n0.974562 0.079895 0.444430 H\n0.920105 0.025439 0.888904 H\n0.365495 0.102192 0.013189 H\n0.365495 0.263302 0.653477 H\n0.105334 0.079895 0.555571 H\n0.897808 0.634506 0.320144 H\n0.894666 0.974562 0.111096 H\n0.213978 0.427955 0.000000 C\n0.310078 0.689923 0.666667 C\n0.786023 0.572045 0.000000 C\n0.689923 0.379845 0.000000 C\n0.213978 0.786023 0.666667 C\n0.620155 0.310078 0.333333 C\n0.379845 0.689923 0.333333 C\n0.786023 0.213978 0.666667 C\n0.572045 0.786023 0.333333 C\n0.310078 0.620155 0.000000 C\n0.427955 0.213978 0.333333 C\n0.689923 0.310078 0.666667 C\n0.000000 0.000000 0.833333 N\n0.000000 0.000000 0.166667 N\n0.000000 0.000000 0.500000 N\n0.749461 0.749461 0.666667 O\n0.453308 0.761692 0.608076 O\n-0.000000 0.250539 0.333333 O\n0.250540 0.000000 0.000000 O\n0.927642 0.280877 0.726510 O\n0.238308 0.546692 0.725257 O\n0.719124 0.072359 0.606824 O\n0.238308 0.691617 0.941411 O\n0.691617 0.453308 0.274743 O\n0.250540 0.250539 0.666667 O\n0.072359 0.353236 0.940158 O\n0.546692 0.308384 0.058590 O\n0.353236 0.280877 0.273491 O\n0.353236 0.072359 0.393176 O\n0.761692 0.453308 0.725257 O\n0.280877 0.927641 0.606824 O\n0.646765 0.719124 0.273491 O\n0.927642 0.646765 0.940158 O\n0.749461 0.000000 0.000000 O\n0.453309 0.691617 0.058590 O\n0.719124 0.646765 0.059842 O\n0.761692 0.308384 0.941411 O\n0.308384 0.546692 0.274743 O\n-0.000000 0.749461 0.333333 O\n0.072359 0.719124 0.726510 O\n0.546692 0.238308 0.608076 O\n0.691617 0.238308 0.391924 O\n0.308384 0.761692 0.391924 O\n0.280877 0.353236 0.059842 O\n0.646765 0.927641 0.393176 O\n",
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{
"id": "jvasp-10463",
"created_at": "2022-09-04T14:37:15.606894Z",
"updated_at": "2022-09-04T14:37:15.606913Z",
"structure_string": "Ba10 Sb8\n1.0\n8.104133 -0.000000 -4.118959\n-0.000000 9.133181 -0.000000\n-0.011485 0.000000 10.009406\nBa Sb\n10 8\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.475577 0.834081 0.290909 Ba\n0.684668 0.665919 0.709092 Ba\n0.975576 0.665919 0.290909 Ba\n0.184668 0.834081 0.709092 Ba\n0.524424 0.165919 0.709092 Ba\n0.315332 0.334081 0.290909 Ba\n0.000000 0.000000 0.000000 Ba\n0.024424 0.334081 0.709092 Ba\n0.815332 0.165919 0.290909 Ba\n0.699561 0.500000 0.399124 Sb\n0.800439 0.000000 0.600877 Sb\n0.300439 0.500000 0.600877 Sb\n0.199561 0.000000 0.399124 Sb\n0.114901 0.614800 -0.000000 Sb\n0.614901 0.885200 -0.000000 Sb\n0.385098 0.114800 -0.000000 Sb\n0.885098 0.385200 -0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:35:53.285271Z",
"updated_at": "2022-09-04T14:35:53.285298Z",
"structure_string": "Na12 Sn4 S14\n1.0\n7.030024 -0.019923 -1.239172\n-1.190804 6.928465 -1.239172\n-0.002974 -0.003519 15.201025\nNa Sn S\n12 4 14\ndirect\n0.256840 0.040844 0.423931 Na\n0.459156 0.243160 0.076069 Na\n0.743160 0.959156 0.576070 Na\n0.540845 0.756840 0.923931 Na\n0.545641 0.506242 0.637201 Na\n-0.006242 0.954359 0.862800 Na\n0.931123 0.568877 0.250000 Na\n0.068877 0.431123 0.750000 Na\n0.000000 0.500000 0.000000 Na\n0.000001 0.500000 0.500000 Na\n0.454360 0.493757 0.362800 Na\n0.006243 0.045640 0.137200 Na\n0.748318 0.070299 0.364812 Sn\n0.429701 0.751681 0.135188 Sn\n0.251682 0.929701 0.635189 Sn\n0.570299 0.248319 0.864812 Sn\n0.359684 0.733791 0.513834 S\n0.233792 0.859683 0.013834 S\n0.640317 0.266208 0.486167 S\n0.015411 0.244716 0.320124 S\n0.255284 0.484589 0.179876 S\n0.984589 0.755284 0.679876 S\n0.744716 0.515411 0.820125 S\n0.451345 0.048655 0.250000 S\n0.548655 0.951345 0.750000 S\n0.732847 0.687452 0.102509 S\n0.267153 0.312548 0.897492 S\n0.812548 0.767152 0.397492 S\n0.187452 0.232847 0.602509 S\n0.766208 0.140317 0.986167 S\n",
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{
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"structure_string": "Al6 Pb10 F38\n1.0\n6.851581 0.000671 2.403264\n3.342883 10.074375 1.141066\n-0.019958 -0.000714 10.709258\nAl Pb F\n6 10 38\ndirect\n0.246454 0.997958 0.003637 Al\n0.672967 0.483588 0.168223 Al\n0.837981 0.833513 0.481716 Al\n0.327032 0.516412 0.831778 Al\n0.753545 0.002042 0.996364 Al\n0.162018 0.166487 0.518285 Al\n0.240723 0.536646 0.476414 Pb\n0.558716 0.153356 0.726088 Pb\n0.922402 0.327012 0.844068 Pb\n0.283398 0.275635 0.157121 Pb\n0.441283 0.846644 0.273913 Pb\n0.253025 0.843775 0.672528 Pb\n0.077597 0.672988 0.155932 Pb\n0.716601 0.724365 0.842879 Pb\n0.759277 0.463354 0.523587 Pb\n0.746974 0.156225 0.327472 Pb\n0.858066 0.938747 0.827738 F\n0.217754 0.995161 0.474149 F\n0.621464 0.811727 0.617399 F\n0.876034 0.540160 0.705114 F\n0.000000 0.000000 0.000000 F\n0.418508 0.653403 0.843269 F\n0.930888 0.367616 0.125209 F\n0.928928 0.167846 0.654548 F\n0.141933 0.061253 0.172263 F\n0.309065 0.106750 0.632511 F\n0.690934 0.893250 0.367489 F\n0.591986 0.399165 0.778348 F\n0.378535 0.188272 0.382601 F\n0.500000 -0.000000 -0.000000 F\n0.581491 0.346597 0.156732 F\n0.994876 0.768773 0.594168 F\n0.408013 0.600835 0.221653 F\n0.368210 0.562917 0.656787 F\n0.203997 0.164946 0.939392 F\n0.631789 0.437083 0.343213 F\n0.426178 0.709962 0.458223 F\n0.071072 0.832154 0.345453 F\n0.754896 0.618489 0.196862 F\n0.894899 0.662060 0.431790 F\n0.294213 0.474692 0.005359 F\n0.691573 0.170467 0.933825 F\n0.796002 0.835054 0.060608 F\n0.069111 0.632384 0.874792 F\n0.632188 0.066565 0.162549 F\n0.705787 0.525307 0.994641 F\n0.308426 0.829533 0.066175 F\n0.782245 0.004839 0.525852 F\n0.105100 0.337940 0.568210 F\n0.573821 0.290037 0.541777 F\n0.367811 0.933435 0.837452 F\n0.123965 0.459840 0.294886 F\n0.245104 0.381511 0.803139 F\n0.005123 0.231227 0.405833 F\n",
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{
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"structure_string": "Na8 Si8 Au24\n1.0\n9.043363 -0.000000 -0.000000\n-0.000000 9.043363 -0.000000\n-0.000000 0.000000 9.043363\nNa Si Au\n8 8 24\ndirect\n0.098028 0.098028 0.098028 Na\n0.401971 0.901971 0.598028 Na\n0.598028 0.401971 0.901971 Na\n0.901971 0.598028 0.401971 Na\n0.901971 0.901971 0.901971 Na\n0.598028 0.098028 0.401971 Na\n0.401971 0.598028 0.098028 Na\n0.098028 0.401971 0.598028 Na\n0.375810 0.124190 0.875810 Si\n0.375810 0.375810 0.375810 Si\n0.875810 0.124190 0.624189 Si\n0.124190 0.624189 0.875810 Si\n0.624189 0.624189 0.624189 Si\n0.875810 0.375810 0.124190 Si\n0.124190 0.875810 0.375810 Si\n0.624189 0.875810 0.124190 Si\n0.372882 0.908905 0.227144 Au\n0.408906 0.227144 0.127118 Au\n0.127118 0.408906 0.227144 Au\n0.372882 0.591094 0.727144 Au\n0.908905 0.272856 0.872881 Au\n0.872881 0.908905 0.272856 Au\n0.091094 0.772856 0.627118 Au\n0.727144 0.127118 0.091094 Au\n0.227144 0.372882 0.908905 Au\n0.272856 0.627118 0.408906 Au\n0.408906 0.272856 0.627118 Au\n0.272856 0.872881 0.908905 Au\n0.127118 0.091094 0.727144 Au\n0.091094 0.727144 0.127118 Au\n0.627118 0.408906 0.272856 Au\n0.872881 0.591094 0.772856 Au\n0.591094 0.772856 0.872881 Au\n0.627118 0.091094 0.772856 Au\n0.227144 0.127118 0.408906 Au\n0.772856 0.627118 0.091094 Au\n0.727144 0.372882 0.591094 Au\n0.591094 0.727144 0.372882 Au\n0.908905 0.227144 0.372882 Au\n0.772856 0.872881 0.591094 Au\n",
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{
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"structure_string": "Li2 Cu1 Ag1\n1.0\n-8.607667 0.000000 -4.969639\n-8.741509 -0.005994 5.201459\n-5.780232 8.369759 0.072379\nLi Cu Ag\n2 1 1\ndirect\n0.756113 0.000000 -0.000000 Li\n0.243888 0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Ag\n",
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