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{
"id": "jvasp-37304",
"created_at": "2022-09-04T14:38:02.722032Z",
"updated_at": "2022-09-04T14:38:02.722050Z",
"structure_string": "Sr1 Ga1 Ge1 H1\n1.0\n2.121122 -3.673891 -0.000000\n2.121122 3.673891 0.000000\n0.000000 0.000000 4.986932\nSr Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 0.999448 Sr\n0.666666 0.333333 0.558483 Ga\n0.333333 0.666666 0.434632 Ge\n0.666666 0.333333 0.913038 H\n",
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{
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"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n-2.892173 3.455412 2.432031\n-1.462651 2.458810 -7.117027\n-2.925313 -3.411190 -2.400899\nLi Ti Ni O\n4 2 4 10\ndirect\n0.500016 0.603421 0.698280 Li\n-0.000004 0.404189 0.797904 Li\n0.499995 0.794588 0.102696 Li\n0.000003 0.197326 0.401339 Li\n0.500005 0.196450 0.901781 Ti\n0.000006 0.596065 0.201976 Ti\n0.499995 0.991066 0.504471 Ni\n-0.000001 0.001537 0.999237 Ni\n-0.000004 0.795991 0.602002 Ni\n0.499996 0.404737 0.297622 Ni\n0.746760 0.401975 0.051711 O\n0.763125 0.794855 0.853787 O\n0.233819 0.600461 0.965593 O\n0.734394 0.198960 0.659954 O\n0.766167 0.600463 0.433939 O\n0.236874 0.794854 0.351365 O\n0.257780 0.011063 0.754430 O\n0.253240 0.401977 0.546313 O\n0.742222 0.011062 0.234513 O\n0.265597 0.198962 0.141082 O\n",
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"formula_full": "Li4 Ti2 Ni4 O10",
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{
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"structure_string": "P2 H12 N2 O4\n1.0\n3.711080 5.786280 0.000000\n-3.711080 5.786280 0.000000\n0.000000 -0.000000 3.891292\nP H N O\n2 12 2 4\ndirect\n0.250000 0.250000 0.065846 P\n0.750000 0.750000 0.934153 P\n0.780274 0.115242 0.345581 H\n0.884758 0.219726 0.654418 H\n0.615242 0.280274 0.654418 H\n0.719726 0.384758 0.345581 H\n0.400395 0.099605 0.291298 H\n0.900395 0.599605 0.708702 H\n0.099605 0.400395 0.291298 H\n0.280274 0.615242 0.654418 H\n0.384758 0.719726 0.345581 H\n0.219726 0.884758 0.654418 H\n0.115242 0.780274 0.345581 H\n0.599605 0.900395 0.708702 H\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n0.363505 0.363505 0.867960 O\n0.136494 0.136494 0.867960 O\n0.863505 0.863505 0.132040 O\n0.636494 0.636494 0.132040 O\n",
"nsites": 20,
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{
"id": "jvasp-30084",
"created_at": "2022-09-04T14:38:01.087327Z",
"updated_at": "2022-09-04T14:38:01.087351Z",
"structure_string": "Sn4 H4 C8 O12\n1.0\n5.426672 3.957825 -3.282686\n-5.426672 3.957825 3.282686\n0.090097 0.000000 8.269730\nSn H C O\n4 4 8 12\ndirect\n0.806613 0.193386 0.158124 Sn\n0.193386 0.806613 0.841876 Sn\n0.712529 0.712529 -0.000000 Sn\n0.287470 0.287470 -0.000000 Sn\n0.986774 0.221812 0.544314 H\n0.778187 0.013224 0.544314 H\n0.013225 0.778187 0.455687 H\n0.221812 0.986774 0.455687 H\n0.521960 0.292530 0.472680 C\n0.707469 0.478039 0.472680 C\n0.292530 0.521960 0.527321 C\n0.478039 0.707469 0.527321 C\n0.776259 0.408610 0.679048 C\n0.408610 0.776259 0.320952 C\n0.223740 0.591388 0.320952 C\n0.591389 0.223739 0.679048 C\n0.616998 0.383001 0.046478 O\n0.070160 0.527303 0.191398 O\n0.472696 0.929839 0.191398 O\n0.929839 0.472696 0.808602 O\n0.527303 0.070160 0.808602 O\n0.219047 0.364825 0.650159 O\n0.635174 0.780952 0.650159 O\n0.780953 0.635174 0.349841 O\n0.364825 0.219046 0.349841 O\n0.846044 0.153955 0.465501 O\n0.153956 0.846043 0.534500 O\n0.383001 0.616997 0.953523 O\n",
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{
"id": "jvasp-29543",
"created_at": "2022-09-04T14:38:01.590556Z",
"updated_at": "2022-09-04T14:38:01.590583Z",
"structure_string": "Cd2 Sb4 Se6 Br4\n1.0\n4.028155 -0.000000 0.700091\n1.297396 9.728539 4.473659\n0.025315 -0.011317 11.792903\nCd Sb Se Br\n2 4 6 4\ndirect\n0.350683 0.846438 0.452196 Cd\n0.649318 0.153562 0.547803 Cd\n0.046400 0.688081 0.219121 Sb\n0.953601 0.311919 0.780879 Sb\n0.704923 0.683667 0.906487 Sb\n0.295078 0.316333 0.093513 Sb\n0.460656 0.864109 0.214582 Se\n0.900274 0.172034 0.027421 Se\n0.539345 0.135891 0.785417 Se\n0.678201 0.503410 0.140192 Se\n0.099727 0.827966 0.972579 Se\n0.321800 0.496590 0.859808 Se\n0.101987 0.342103 0.453922 Br\n0.898014 0.657897 0.546078 Br\n0.213496 0.923419 0.649590 Br\n0.786505 0.076581 0.350410 Br\n",
"nsites": 16,
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"volume": 462.16226877425675,
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"formula_full": "Cd2 Sb4 Se6 Br4",
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{
"id": "jvasp-38120",
"created_at": "2022-09-04T14:38:01.012281Z",
"updated_at": "2022-09-04T14:38:01.012307Z",
"structure_string": "Rb2 Li1 In1 Cl6\n1.0\n0.000000 5.069059 5.069059\n5.069059 0.000000 5.069059\n5.069059 5.069059 0.000000\nRb Li In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.250192 0.749808 0.749808 Cl\n0.250192 0.749808 0.250192 Cl\n0.749808 0.250192 0.749808 Cl\n0.749808 0.749808 0.250192 Cl\n0.250192 0.250192 0.749808 Cl\n0.749808 0.250192 0.250192 Cl\n",
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"volume": 260.5025830692656,
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"formula_full": "Rb2 Li1 In1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-58432",
"created_at": "2022-09-04T14:38:00.771964Z",
"updated_at": "2022-09-04T14:38:00.771986Z",
"structure_string": "Yb2 Cu1 Ge4 O12\n1.0\n-4.843031 0.022385 0.006541\n1.722022 7.003964 -0.054925\n-0.398633 -3.085972 -7.245844\nYb Cu Ge O\n2 1 4 12\ndirect\n0.931468 0.763384 0.544219 Yb\n0.068531 0.236616 0.455780 Yb\n0.000000 0.000000 0.000000 Cu\n0.461377 0.831245 0.224563 Ge\n0.538623 0.168755 0.775436 Ge\n0.408327 0.622199 0.801033 Ge\n0.591673 0.377801 0.198966 Ge\n0.241295 0.984890 0.806743 O\n0.766526 0.767225 0.824770 O\n0.233474 0.232775 0.175229 O\n0.241345 0.705504 0.015276 O\n0.381112 0.347462 0.731595 O\n0.252608 0.595856 0.595840 O\n0.747392 0.404144 0.404159 O\n0.758704 0.015110 0.193256 O\n0.756683 0.058100 0.602753 O\n0.243317 0.941900 0.397245 O\n0.618888 0.652538 0.268404 O\n0.758655 0.294496 0.984723 O\n",
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{
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"created_at": "2022-09-04T14:38:03.118205Z",
"updated_at": "2022-09-04T14:38:03.118238Z",
"structure_string": "Te2 Mo3 W1 S6\n1.0\n3.276081 0.000000 -0.000000\n-1.638041 2.836959 -0.000545\n-0.000000 -0.007517 38.477884\nTe Mo W S\n2 3 1 6\ndirect\n0.333621 0.667242 0.709363 Te\n0.333418 0.666836 0.609389 Te\n0.333383 0.666765 0.093500 Mo\n0.666724 0.333449 0.282072 Mo\n0.666875 0.333751 0.659446 Mo\n0.333024 0.666048 0.467926 W\n0.333512 0.667026 0.322012 S\n0.666595 0.333190 0.053649 S\n0.666282 0.332566 0.427784 S\n0.666856 0.333711 0.133412 S\n0.666450 0.332901 0.508072 S\n0.333256 0.666513 0.242126 S\n",
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{
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"created_at": "2022-09-04T14:37:57.407503Z",
"updated_at": "2022-09-04T14:37:57.407523Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n3.993220 0.000000 0.000000\n-0.000000 3.993220 0.000000\n-0.000000 -0.000000 13.423862\nAg Pb Br O\n2 2 2 2\ndirect\n0.250000 0.250000 0.405119 Ag\n0.750000 0.750000 0.594881 Ag\n0.750000 0.750000 0.090772 Pb\n0.250000 0.250000 0.909228 Pb\n0.750000 0.750000 0.380755 Br\n0.250000 0.250000 0.619245 Br\n0.750000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:03.503004Z",
"updated_at": "2022-09-04T14:38:03.503027Z",
"structure_string": "Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n",
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{
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"created_at": "2022-09-04T14:38:00.694341Z",
"updated_at": "2022-09-04T14:38:00.694373Z",
"structure_string": "Te4 W4 Se2 S2\n1.0\n3.404611 -0.000002 0.000009\n-1.702307 2.948651 -0.000047\n0.000099 -0.000519 35.358378\nTe W Se S\n4 4 2 2\ndirect\n0.333278 0.666582 0.336192 Te\n0.333438 0.666865 0.714144 Te\n0.333349 0.666673 0.229572 Te\n0.333252 0.666512 0.607579 Te\n0.333319 0.666643 0.087151 W\n0.333360 0.666728 0.471982 W\n0.666687 0.333372 0.282861 W\n0.666723 0.333451 0.660921 W\n0.666587 0.333146 0.040415 Se\n0.666680 0.333380 0.133972 Se\n0.666678 0.333374 0.429371 S\n0.666645 0.333274 0.514590 S\n",
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{
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"created_at": "2022-09-04T14:37:56.414196Z",
"updated_at": "2022-09-04T14:37:56.414218Z",
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}