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{
"id": "jvasp-30237",
"created_at": "2022-09-04T14:37:58.450611Z",
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"structure_string": "Mn1 Co2 O6\n1.0\n5.471189 -2.781628 -0.044526\n-0.000000 -1.474996 2.411519\n-3.057709 -3.863914 -2.363350\nMn Co O\n1 2 6\ndirect\n0.333333 0.333333 0.333333 Mn\n-0.000338 0.000168 0.997866 Co\n0.667004 0.666497 0.668801 Co\n0.020012 0.489995 0.231800 O\n0.344446 0.827777 0.561207 O\n0.685230 0.157384 0.896116 O\n0.322220 0.838890 0.105460 O\n0.646656 0.176672 0.434867 O\n0.981437 0.509281 0.770550 O\n",
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{
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"structure_string": "Ir1 Br6 O2\n1.0\n-4.741893 -4.741893 0.000000\n-4.741893 -0.000000 -4.741893\n0.000000 -4.741893 -4.741893\nIr Br O\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Ir\n0.744042 0.255958 0.255958 Br\n0.744042 0.255958 0.744042 Br\n0.744042 0.744042 0.255958 Br\n0.255958 0.744042 0.744042 Br\n0.255958 0.744042 0.255958 Br\n0.255958 0.255958 0.744042 Br\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
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{
"id": "jvasp-120467",
"created_at": "2022-09-04T14:38:52.073244Z",
"updated_at": "2022-09-04T14:38:52.073267Z",
"structure_string": "Tb12 Co4 Sn2\n1.0\n7.881395 0.002854 -2.768125\n-3.681920 6.800744 -3.157890\n0.000134 -0.002854 8.353377\nTb Co Sn\n12 4 2\ndirect\n0.442771 0.235857 0.206914 Tb\n0.676117 0.989358 0.313240 Tb\n0.323882 0.010642 0.686759 Tb\n0.676118 0.362877 0.686759 Tb\n0.815706 0.285029 0.100735 Tb\n0.184294 0.714971 0.899265 Tb\n0.323882 0.637123 0.313241 Tb\n0.184294 0.285030 0.469324 Tb\n0.971057 0.764142 0.206913 Tb\n0.028943 0.235857 0.793086 Tb\n0.557229 0.764143 0.793086 Tb\n0.815706 0.714970 0.530676 Tb\n0.342831 -0.000000 0.342831 Co\n0.657169 -0.000000 0.657169 Co\n0.113075 0.613075 0.500000 Co\n0.886925 0.386924 0.500000 Co\n0.500000 0.499999 -0.000001 Sn\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-119480",
"created_at": "2022-09-04T14:38:52.569589Z",
"updated_at": "2022-09-04T14:38:52.569618Z",
"structure_string": "Ta4 Ti2 O12\n1.0\n5.350590 0.002457 1.893228\n0.979224 5.260223 1.893228\n-0.004283 -0.003561 7.410144\nTa Ti O\n4 2 12\ndirect\n0.321128 0.321128 0.177568 Ta\n0.678872 0.678872 0.822432 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.346507 0.346507 0.650764 Ti\n0.653493 0.653493 0.349236 Ti\n0.383469 0.960080 0.330200 O\n0.616531 0.039920 0.669800 O\n0.299813 0.700186 0.000000 O\n0.960080 0.383470 0.330200 O\n0.094207 0.094207 0.702781 O\n0.905792 0.905793 0.297219 O\n0.434901 0.434902 0.356021 O\n0.700186 0.299814 0.000000 O\n0.565098 0.565098 0.643979 O\n0.229992 0.229992 0.969379 O\n0.770007 0.770008 0.030621 O\n0.039920 0.616531 0.669800 O\n",
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{
"id": "jvasp-111990",
"created_at": "2022-09-04T14:38:52.604304Z",
"updated_at": "2022-09-04T14:38:52.604328Z",
"structure_string": "Li4 V2 F12\n1.0\n5.283648 0.154351 -0.000000\n-2.629020 4.585740 0.000000\n-0.000000 -0.000000 8.309261\nLi V F\n4 2 12\ndirect\n0.544839 0.455161 0.022308 Li\n0.773805 0.226195 0.570621 Li\n0.226196 0.773804 0.070621 Li\n0.455161 0.544839 0.522307 Li\n0.879341 0.120658 0.235067 V\n0.120659 0.879341 0.735067 V\n0.374934 0.146650 0.585458 F\n0.902752 0.634522 0.902529 F\n0.146650 0.374934 0.085458 F\n0.918685 0.081314 0.735275 F\n0.081315 0.918685 0.235275 F\n0.625066 0.853350 0.085458 F\n0.097248 0.365478 0.402529 F\n0.365478 0.097248 0.902529 F\n0.634522 0.902752 0.402529 F\n0.676707 0.323293 0.208615 F\n0.853350 0.625066 0.585458 F\n0.323294 0.676706 0.708615 F\n",
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{
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"created_at": "2022-09-04T14:38:49.608567Z",
"updated_at": "2022-09-04T14:38:49.608599Z",
"structure_string": "Mo2 H1 O6\n1.0\n7.886037 0.047847 -0.015021\n6.969136 3.690935 -0.015021\n-0.008213 -0.002067 3.807380\nMo H O\n2 1 6\ndirect\n0.907420 0.907422 0.240113 Mo\n0.090978 0.090977 0.743727 Mo\n0.241669 0.241667 0.980526 H\n0.085851 0.085850 0.244262 O\n0.945182 0.945184 0.741193 O\n0.427286 0.427287 0.241293 O\n0.575812 0.575812 0.744383 O\n0.797993 0.797995 0.231379 O\n0.213809 0.213808 0.747825 O\n",
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"formula_full": "Mo2 H1 O6",
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"spacegroup": 8
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{
"id": "jvasp-119703",
"created_at": "2022-09-04T14:38:51.912168Z",
"updated_at": "2022-09-04T14:38:51.912187Z",
"structure_string": "La4 Mo2 O12\n1.0\n6.289488 0.000000 0.000000\n-0.000000 4.716588 2.917108\n0.000000 0.060953 9.085675\nLa Mo O\n4 2 12\ndirect\n0.587916 0.783512 0.251418 La\n0.087916 0.216488 0.248582 La\n0.912084 0.783512 0.751418 La\n0.412084 0.216488 0.748582 La\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n0.148169 0.159703 0.547764 O\n0.648169 0.840297 0.952235 O\n0.733194 0.293577 0.571074 O\n0.944837 0.601193 0.266701 O\n0.555163 0.601193 0.766701 O\n0.351831 0.159703 0.047764 O\n0.851831 0.840297 0.452235 O\n0.233193 0.706423 0.928926 O\n0.266807 0.706423 0.428926 O\n0.055163 0.398807 0.733299 O\n0.766807 0.293577 0.071074 O\n0.444837 0.398807 0.233299 O\n",
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{
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"created_at": "2022-09-04T14:38:52.936319Z",
"updated_at": "2022-09-04T14:38:52.936344Z",
"structure_string": "Te2 Rh4 O12\n1.0\n4.648176 -0.000000 0.000000\n0.000000 4.648176 0.000000\n-0.000000 -0.000000 9.544458\nTe Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.332376 Rh\n0.000000 0.000000 0.667624 Rh\n0.500000 0.500000 0.832376 Rh\n0.500000 0.500000 0.167624 Rh\n0.304326 0.304326 0.668992 O\n0.195675 0.804326 0.168992 O\n0.195675 0.804326 0.831008 O\n0.695675 0.695675 0.331008 O\n0.695675 0.695675 0.668992 O\n0.187892 0.812109 0.500000 O\n0.812109 0.187892 0.500000 O\n0.804326 0.195675 0.168992 O\n0.687893 0.687893 -0.000000 O\n0.312108 0.312108 -0.000000 O\n0.304326 0.304326 0.331008 O\n0.804326 0.195675 0.831008 O\n",
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{
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"created_at": "2022-09-04T14:36:36.561395Z",
"updated_at": "2022-09-04T14:36:36.561411Z",
"structure_string": "Na1 U2 Cl6\n1.0\n7.800478 0.000000 0.000000\n-3.900238 6.755412 0.000000\n0.000000 0.000000 3.942639\nNa U Cl\n1 2 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.666667 0.333333 0.755454 U\n0.333333 0.666666 0.244546 U\n0.301486 0.377435 0.749784 Cl\n0.622565 0.924050 0.749784 Cl\n0.075949 0.698514 0.749784 Cl\n0.698514 0.622565 0.250216 Cl\n0.377435 0.075949 0.250216 Cl\n0.924051 0.301486 0.250216 Cl\n",
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"structure_string": "Mo2 W1 Se6\n1.0\n3.326203 0.000001 -0.000005\n-1.663101 2.880585 0.000015\n-0.000041 -0.000029 28.557660\nMo W Se\n2 1 6\ndirect\n0.333337 0.666653 0.116281 Mo\n0.666658 0.333320 0.346791 Mo\n0.333319 0.666656 0.577875 W\n0.333320 0.666638 0.405405 Se\n0.666663 0.333310 0.057732 Se\n0.666653 0.333327 0.518999 Se\n0.666662 0.333302 0.174906 Se\n0.666658 0.333332 0.636677 Se\n0.333323 0.666651 0.288177 Se\n",
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"structure_string": "Ba2 Ni1 F6\n1.0\n3.995426 -0.000000 -0.962052\n-0.231651 3.988704 -0.962052\n-0.047901 -0.050764 8.578642\nBa Ni F\n2 1 6\ndirect\n0.850822 0.850820 0.701640 Ba\n0.149180 0.149180 0.298360 Ba\n0.500001 0.499999 0.000000 Ni\n0.620576 0.620575 0.241152 F\n0.379425 0.379425 0.758848 F\n0.000000 0.499999 0.000000 F\n0.750001 0.250000 0.500000 F\n0.250001 0.750000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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}