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{
"id": "jvasp-66687",
"created_at": "2022-09-04T14:36:12.895793Z",
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"structure_string": "Ba4 Si1 Pt1\n1.0\n0.000000 4.754056 4.754056\n4.754056 0.000000 4.754056\n4.754056 4.754056 0.000000\nBa Si Pt\n4 1 1\ndirect\n0.125620 0.624794 0.624794 Ba\n0.624794 0.624794 0.624794 Ba\n0.624794 0.125620 0.624794 Ba\n0.624794 0.624794 0.125620 Ba\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pt\n",
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{
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"structure_string": "Li10 In2 O8\n1.0\n4.734873 0.000000 0.000000\n0.000000 6.506590 0.000000\n0.000000 0.000000 6.975213\nLi In O\n10 2 8\ndirect\n0.244182 0.743203 0.689609 Li\n0.755817 0.243203 0.810390 Li\n0.241098 0.500000 0.000000 Li\n0.755817 0.243203 0.189610 Li\n0.755817 0.756797 0.189610 Li\n0.755817 0.756797 0.810390 Li\n0.244182 0.743203 0.310390 Li\n0.758902 0.000000 0.500000 Li\n0.244182 0.256797 0.689609 Li\n0.244182 0.256797 0.310390 Li\n0.766974 0.500000 0.500000 In\n0.233025 0.000000 0.000000 In\n0.474264 0.261476 0.000000 O\n0.007329 0.500000 0.751791 O\n0.525735 0.761476 0.500000 O\n0.525735 0.238524 0.500000 O\n0.007329 0.500000 0.248209 O\n0.992671 0.000000 0.251791 O\n0.474264 0.738524 0.000000 O\n0.992671 0.000000 0.748209 O\n",
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{
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"structure_string": "Er4 In2 Pd4\n1.0\n7.697728 0.000000 -0.000000\n0.000000 7.697728 -0.000000\n-0.000000 0.000000 3.626307\nEr In Pd\n4 2 4\ndirect\n0.328205 0.828205 0.500000 Er\n0.828205 0.671795 0.500000 Er\n0.171795 0.328205 0.500000 Er\n0.671795 0.171795 0.500000 Er\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.371312 0.128688 0.000000 Pd\n0.871312 0.371312 0.000000 Pd\n0.128688 0.628688 0.000000 Pd\n0.628688 0.871312 0.000000 Pd\n",
"nsites": 10,
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"volume": 214.8768806185771,
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"formula_full": "Er4 In2 Pd4",
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{
"id": "jvasp-121801",
"created_at": "2022-09-04T14:38:55.565316Z",
"updated_at": "2022-09-04T14:38:55.565341Z",
"structure_string": "Ca4 Fe2 Cu2 S2 O6\n1.0\n3.782965 -0.000411 -0.000181\n0.000414 3.782833 -0.001331\n0.000581 0.005263 15.013663\nCa Fe Cu S O\n4 2 2 2 6\ndirect\n0.749943 0.750022 0.190639 Ca\n0.250054 0.249976 0.809361 Ca\n0.749972 0.750000 0.415181 Ca\n0.250030 0.249978 0.584817 Ca\n0.249952 0.250015 0.306189 Fe\n0.750048 0.749973 0.693809 Fe\n0.250000 0.750025 0.000003 Cu\n0.749981 0.250020 0.999999 Cu\n0.750018 0.749998 0.899706 S\n0.249973 0.250018 0.100297 S\n0.750026 0.749979 0.564024 O\n0.249981 0.250004 0.435974 O\n0.750056 0.249971 0.710901 O\n0.250052 0.749970 0.710871 O\n0.249944 0.750018 0.289100 O\n0.749950 0.250021 0.289131 O\n",
"nsites": 16,
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"formula_full": "Ca4 Fe2 Cu2 S2 O6",
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{
"id": "jvasp-39288",
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"updated_at": "2022-09-04T14:37:47.667573Z",
"structure_string": "Lu2 Sb6\n1.0\n3.282092 -5.684751 0.000000\n3.282092 5.684751 0.000000\n-0.000000 0.000000 5.756737\nLu Sb\n2 6\ndirect\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n0.824235 0.648471 0.750000 Sb\n0.824235 0.175764 0.750000 Sb\n0.351529 0.175764 0.750000 Sb\n0.175764 0.351529 0.250000 Sb\n0.175764 0.824235 0.250000 Sb\n0.648471 0.824235 0.250000 Sb\n",
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"formula_full": "Lu2 Sb6",
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{
"id": "jvasp-88389",
"created_at": "2022-09-04T14:35:48.963344Z",
"updated_at": "2022-09-04T14:35:48.963365Z",
"structure_string": "Na2 Ga2 Si4 O12\n1.0\n5.190564 -0.002452 1.190269\n1.353708 6.347134 0.620754\n-0.001952 0.008093 6.519502\nNa Ga Si O\n2 2 4 12\ndirect\n0.250000 0.700015 0.299984 Na\n0.750000 0.299984 0.700015 Na\n0.250000 0.097517 0.902483 Ga\n0.750000 0.902482 0.097517 Ga\n0.733412 0.800091 0.616989 Si\n0.266588 0.199908 0.383010 Si\n0.766588 0.383010 0.199908 Si\n0.233413 0.616989 0.800091 Si\n0.365118 0.032919 0.191398 O\n0.134883 0.808601 0.967081 O\n0.492461 0.342201 0.364051 O\n0.694149 0.618625 0.098854 O\n0.805851 0.901145 0.381374 O\n0.305851 0.381374 0.901145 O\n0.194149 0.098854 0.618625 O\n0.992461 0.364051 0.342201 O\n0.507539 0.657798 0.635948 O\n0.007539 0.635948 0.657798 O\n0.865117 0.191398 0.032919 O\n0.634883 0.967081 0.808601 O\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-103767",
"created_at": "2022-09-04T14:37:02.731534Z",
"updated_at": "2022-09-04T14:37:02.731561Z",
"structure_string": "H4 C9 S3 O1\n1.0\n3.734842 -0.026229 0.477953\n0.104123 5.784547 0.312411\n0.090574 -0.073968 9.949212\nH C S O\n4 9 3 1\ndirect\n0.853579 0.811917 0.426633 H\n0.813141 0.069927 0.287887 H\n0.852506 0.811927 0.690375 H\n0.741274 0.115299 0.030473 H\n0.468242 0.558437 0.936629 C\n0.595866 0.419408 0.312883 C\n0.530451 0.463757 0.066942 C\n0.622857 0.469742 0.451755 C\n0.615907 0.471426 0.701316 C\n0.666104 0.247842 0.103052 C\n0.697923 0.222184 0.241900 C\n0.748749 0.671777 0.496264 C\n0.749846 0.673245 0.637786 C\n0.495754 0.275789 0.588841 S\n0.443303 0.634208 0.206846 S\n0.281121 0.813249 0.910727 S\n0.586583 0.403823 0.836380 O\n",
"nsites": 17,
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"formula_full": "H4 C9 S3 O1",
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{
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"created_at": "2022-09-04T14:38:49.921689Z",
"updated_at": "2022-09-04T14:38:49.921710Z",
"structure_string": "Li6 Mn3 V3 O12\n1.0\n4.872500 -0.001871 -1.530276\n-0.105468 5.841632 -0.871363\n0.015254 -0.007326 7.542456\nLi Mn V O\n6 3 3 12\ndirect\n0.002639 0.589065 0.839098 Li\n0.004588 0.758476 0.509370 Li\n-0.005175 0.084461 0.827326 Li\n0.997360 0.410934 0.160902 Li\n0.005174 0.915538 0.172675 Li\n0.995411 0.241523 0.490630 Li\n0.489647 0.321647 0.837686 Mn\n0.510352 0.678352 0.162314 Mn\n0.499999 0.500000 0.500000 Mn\n0.489047 0.157477 0.157005 V\n0.500000 -0.000000 0.500000 V\n0.510952 0.842522 0.842995 V\n0.285779 0.551897 0.680719 O\n0.738062 0.120538 0.995327 O\n0.749305 0.635572 0.008201 O\n0.741644 0.967705 0.341624 O\n0.714220 0.448102 0.319281 O\n0.743728 0.803064 0.671676 O\n0.712700 0.282468 0.657254 O\n0.250694 0.364427 0.991799 O\n0.261936 0.879461 0.004673 O\n0.287298 0.717531 0.342746 O\n0.256270 0.196935 0.328325 O\n0.258355 0.032294 0.658376 O\n",
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{
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"created_at": "2022-09-04T14:36:19.653346Z",
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"structure_string": "Ba4 Hf1 Ir1\n1.0\n0.000000 4.753223 4.753223\n4.753223 -0.000000 4.753223\n4.753223 4.753223 -0.000000\nBa Hf Ir\n4 1 1\ndirect\n0.122132 0.625956 0.625956 Ba\n0.625956 0.625956 0.625956 Ba\n0.625956 0.122132 0.625956 Ba\n0.625956 0.625956 0.122132 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "Ca4 Al2 Cr2 O10\n1.0\n5.357905 0.002200 -0.001462\n-0.002473 5.662942 -0.000692\n-2.675751 -2.831780 7.079650\nCa Al Cr O\n4 2 2 10\ndirect\n0.102244 0.576762 0.215397 Ca\n0.386744 0.861218 0.784306 Ca\n0.886720 0.423238 0.784306 Ca\n0.602219 0.138791 0.215405 Ca\n0.207990 0.172749 0.499849 Al\n0.707973 0.827266 0.499851 Al\n0.506083 0.500003 0.999851 Cr\n0.006079 -0.000000 0.999850 Cr\n0.769652 0.772776 0.035865 O\n0.733780 0.227359 0.963887 O\n0.881642 0.785083 0.712560 O\n0.169035 0.214927 0.287149 O\n0.876979 0.103058 0.499854 O\n0.668971 0.572377 0.287145 O\n0.376965 0.896955 0.499846 O\n0.269621 0.763210 0.035806 O\n0.381727 0.427632 0.712558 O\n0.233762 0.236655 0.963844 O\n",
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{
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{
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"structure_string": "Sr2 Mg2\n1.0\n5.949637 -0.000000 0.000000\n-2.974818 5.152536 -0.000000\n-0.000000 0.000000 7.004547\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.562516 Sr\n0.666667 0.333333 0.062515 Sr\n0.333333 0.666667 0.062485 Mg\n0.666667 0.333333 0.562485 Mg\n",
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]
}