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{
"id": "jvasp-12964",
"created_at": "2022-09-04T14:37:16.574776Z",
"updated_at": "2022-09-04T14:37:16.574798Z",
"structure_string": "Cd4 As6 Br2\n1.0\n6.299552 -0.018091 -0.846262\n-0.944463 6.228377 -0.846262\n-0.011316 -0.013124 8.116444\nCd As Br\n4 6 2\ndirect\n0.907334 0.607848 0.697577 Cd\n0.392152 0.092667 0.802422 Cd\n0.607847 0.907334 0.197578 Cd\n0.092666 0.392153 0.302423 Cd\n0.919218 0.821745 0.023535 As\n0.178255 0.080782 0.476465 As\n0.080782 0.178256 0.976465 As\n0.789680 0.210320 0.750000 As\n0.210319 0.789681 0.250000 As\n0.821745 0.919219 0.523535 As\n0.365034 0.634966 0.750000 Br\n0.634965 0.365035 0.250000 Br\n",
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{
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"formula_full": "Ce2 Hf2 O8",
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{
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"updated_at": "2022-09-04T14:37:16.753994Z",
"structure_string": "Ga2 P2 O8\n1.0\n4.919625 -0.009024 0.000000\n-0.025423 4.919568 0.000000\n0.000000 0.000000 6.828258\nGa P O\n2 2 8\ndirect\n0.822380 0.822380 0.750000 Ga\n0.177622 0.177622 0.250000 Ga\n0.325988 0.674013 0.000000 P\n0.674014 0.325988 0.500000 P\n0.816119 0.223499 0.312304 O\n0.183883 0.776502 0.812304 O\n0.776503 0.183883 0.687696 O\n0.727858 0.633549 0.526619 O\n0.223499 0.816119 0.187696 O\n0.633549 0.727858 0.973381 O\n0.366453 0.272143 0.473381 O\n0.272143 0.366453 0.026619 O\n",
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"volume": 165.25886784918077,
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"formula_full": "Ga2 P2 O8",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-10914",
"created_at": "2022-09-04T14:37:16.779790Z",
"updated_at": "2022-09-04T14:37:16.779811Z",
"structure_string": "Ti4 O8\n1.0\n5.145948 -0.000000 2.971014\n1.715316 4.851646 2.971014\n0.000000 0.000000 5.942029\nTi O\n4 8\ndirect\n0.500000 0.500000 0.499999 Ti\n0.500000 0.500000 -0.000001 Ti\n0.000000 0.500000 0.499999 Ti\n0.500000 -0.000000 0.500000 Ti\n0.265228 0.265228 0.265227 O\n0.734773 0.734773 0.295681 O\n0.295683 0.734773 0.734771 O\n0.734773 0.295683 0.734772 O\n0.704317 0.265228 0.265227 O\n0.265228 0.704318 0.265227 O\n0.265228 0.265228 0.704317 O\n0.734773 0.734773 0.734771 O\n",
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"formula_full": "Ti4 O8",
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{
"id": "jvasp-23809",
"created_at": "2022-09-04T14:37:37.968401Z",
"updated_at": "2022-09-04T14:37:37.968420Z",
"structure_string": "Hf4 Cu4 Si4\n1.0\n3.907444 0.000000 0.000000\n0.000000 6.460200 0.000000\n0.000000 0.000000 7.301078\nHf Cu Si\n4 4 4\ndirect\n0.250000 0.511325 0.691645 Hf\n0.749999 0.488675 0.308355 Hf\n0.250000 0.011325 0.808356 Hf\n0.749999 0.988675 0.191645 Hf\n0.749999 0.831649 0.577001 Cu\n0.250000 0.168351 0.422999 Cu\n0.749999 0.331649 0.923000 Cu\n0.250000 0.668351 0.077001 Cu\n0.250000 0.277202 0.102612 Si\n0.749999 0.722798 0.897388 Si\n0.250000 0.777202 0.397388 Si\n0.749999 0.222798 0.602612 Si\n",
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"formula_full": "Hf4 Cu4 Si4",
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{
"id": "jvasp-10885",
"created_at": "2022-09-04T14:37:16.832175Z",
"updated_at": "2022-09-04T14:37:16.832194Z",
"structure_string": "Rb4 Si2 S6\n1.0\n6.269881 0.000000 2.733008\n2.753423 6.538569 2.241756\n-0.014946 0.007693 8.592761\nRb Si S\n4 2 6\ndirect\n0.803775 0.579265 0.813184 Rb\n0.196224 0.420734 0.186817 Rb\n0.580416 0.200891 0.638275 Rb\n0.419583 0.799109 0.361726 Rb\n0.116369 0.947720 0.819542 Si\n0.883630 0.052280 0.180460 Si\n0.238228 -0.000000 0.000000 S\n0.761772 -0.000000 0.000000 S\n0.888469 0.827342 0.395719 S\n0.111530 0.172658 0.604282 S\n0.709877 0.357509 0.222735 S\n0.290122 0.642490 0.777266 S\n",
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{
"id": "jvasp-57501",
"created_at": "2022-09-04T14:37:17.060831Z",
"updated_at": "2022-09-04T14:37:17.060855Z",
"structure_string": "Co3 F9\n1.0\n2.683347 -4.647692 -0.000000\n2.683347 4.647692 0.000000\n-0.000000 0.000000 6.571299\nCo F\n3 9\ndirect\n0.666668 0.333334 0.333329 Co\n0.333334 0.666668 0.666671 Co\n0.000000 0.000000 0.000000 Co\n0.166708 0.833385 0.833322 F\n0.166616 0.333324 0.833322 F\n0.666678 0.833293 0.833322 F\n0.500086 0.000000 0.500000 F\n0.000000 0.500086 0.500000 F\n0.499915 0.499915 0.500000 F\n0.333324 0.166616 0.166678 F\n0.833385 0.166708 0.166678 F\n0.833293 0.666678 0.166678 F\n",
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{
"id": "jvasp-85231",
"created_at": "2022-09-04T14:37:17.130846Z",
"updated_at": "2022-09-04T14:37:17.130858Z",
"structure_string": "Ce2 Nd2 I8\n1.0\n7.072978 0.148373 -2.436085\n-2.709144 6.922632 -3.277391\n-0.196588 0.075967 8.832785\nCe Nd I\n2 2 8\ndirect\n0.242267 0.492310 0.984481 Ce\n0.757733 0.507690 0.015519 Ce\n0.885531 0.135593 0.271074 Nd\n0.114469 0.864407 0.728926 Nd\n0.488960 0.249064 0.121868 I\n0.132646 0.872602 0.121806 I\n0.511041 0.750936 0.878132 I\n0.708515 0.810278 0.367189 I\n0.291486 0.189721 0.632811 I\n0.867355 0.127398 0.878194 I\n0.158617 0.556760 0.367123 I\n0.841383 0.443240 0.632877 I\n",
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{
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"created_at": "2022-09-04T14:37:16.978614Z",
"updated_at": "2022-09-04T14:37:16.978638Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384419 -0.000002 0.000028\n-1.692211 2.930995 -0.000040\n0.000281 -0.000434 35.959869\nTe Mo W Se\n2 3 1 6\ndirect\n0.333328 0.666661 0.334178 Te\n0.333322 0.666622 0.229413 Te\n0.333384 0.666640 0.089407 Mo\n0.666659 0.333309 0.281798 Mo\n0.666639 0.333355 0.656865 Mo\n0.333315 0.666700 0.474844 W\n0.333307 0.666698 0.702820 Se\n0.666728 0.333299 0.043457 Se\n0.666652 0.333356 0.428599 Se\n0.666718 0.333315 0.135448 Se\n0.666648 0.333388 0.521063 Se\n0.333308 0.666678 0.610858 Se\n",
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{
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"updated_at": "2022-09-04T14:37:17.022171Z",
"structure_string": "Ru4 O8\n1.0\n4.872799 -0.000000 -0.000000\n0.000000 4.872799 0.000000\n0.000000 0.000000 4.872799\nRu O\n4 8\ndirect\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.351004 0.148996 0.851005 O\n0.148996 0.851005 0.351004 O\n0.851005 0.351004 0.148996 O\n0.648996 0.648996 0.648996 O\n0.351004 0.351004 0.351004 O\n0.148996 0.648996 0.851005 O\n0.851005 0.148996 0.648996 O\n0.648996 0.851005 0.148996 O\n",
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{
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"created_at": "2022-09-04T14:37:17.050494Z",
"updated_at": "2022-09-04T14:37:17.050514Z",
"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258389 0.000000 0.000000\n-1.629194 2.821861 -0.005459\n0.000000 0.047129 25.720266\nMo W Se S\n2 2 4 4\ndirect\n0.333069 0.666136 0.005658 Mo\n0.666604 0.333208 0.254921 Mo\n0.333377 0.666752 0.495909 W\n0.666951 0.333899 0.746429 W\n0.333648 0.667296 0.812861 Se\n0.666391 0.332779 0.939638 Se\n0.666422 0.332842 0.071664 Se\n0.333600 0.667200 0.680015 Se\n0.333289 0.666578 0.315006 S\n0.666669 0.333334 0.435529 S\n0.666747 0.333491 0.556310 S\n0.333242 0.666485 0.194808 S\n",
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{
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}