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{
"id": "jvasp-9513",
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"updated_at": "2022-09-04T14:36:43.632118Z",
"structure_string": "V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n",
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{
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"structure_string": "H8 O8\n1.0\n3.280803 -0.000000 -0.000000\n-0.000000 3.280803 -0.000000\n-0.000000 -0.000000 11.287139\nH O\n8 8\ndirect\n0.649550 0.184210 0.492328 H\n0.350449 0.815789 0.992328 H\n0.184210 0.649550 0.507672 H\n0.684210 0.850449 0.242328 H\n0.315789 0.149550 0.742328 H\n0.850449 0.684210 0.757672 H\n0.149550 0.315789 0.257672 H\n0.815789 0.350449 0.007672 H\n0.964428 0.778457 0.211463 O\n0.035572 0.221542 0.711463 O\n0.778457 0.964428 0.788537 O\n0.278457 0.535571 0.961463 O\n0.721542 0.464428 0.461463 O\n0.535571 0.278457 0.038537 O\n0.464428 0.721542 0.538537 O\n0.221542 0.035572 0.288537 O\n",
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{
"id": "jvasp-12093",
"created_at": "2022-09-04T14:37:02.058950Z",
"updated_at": "2022-09-04T14:37:02.058974Z",
"structure_string": "Ta4 Ni2 S10\n1.0\n3.424870 0.000000 0.000000\n-1.712435 6.138978 -0.000000\n0.000000 -0.000000 15.199651\nTa Ni S\n4 2 10\ndirect\n0.221141 0.442283 0.608536 Ta\n0.778860 0.557718 0.391464 Ta\n0.778860 0.557718 0.108536 Ta\n0.221141 0.442283 0.891463 Ta\n0.301759 0.603516 0.250000 Ni\n0.698243 0.396484 0.750000 Ni\n0.680497 0.360993 0.250000 S\n0.319505 0.639007 0.750000 S\n0.148741 0.297480 0.450326 S\n0.851261 0.702521 0.549674 S\n0.851261 0.702521 0.950326 S\n0.148741 0.297480 0.049674 S\n0.583794 0.167587 0.864148 S\n0.416207 0.832413 0.135852 S\n0.416207 0.832413 0.364148 S\n0.583794 0.167587 0.635852 S\n",
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},
{
"id": "jvasp-101823",
"created_at": "2022-09-04T14:36:53.785851Z",
"updated_at": "2022-09-04T14:36:53.785874Z",
"structure_string": "H4 C6 S2 O4\n1.0\n5.338804 0.013718 0.473181\n2.167993 5.032535 0.332034\n0.130679 -0.011362 7.669391\nH C S O\n4 6 2 4\ndirect\n0.703144 0.439344 0.068003 H\n0.203121 0.439392 0.568005 H\n0.575267 0.763804 0.154536 H\n0.075282 0.763841 0.654551 H\n0.725545 0.557166 0.170672 C\n0.225548 0.557194 0.670677 C\n0.004168 0.564692 0.143827 C\n0.504178 0.564697 0.643824 C\n0.182200 0.444882 0.850062 C\n0.682193 0.444865 0.350060 C\n0.274740 0.129580 0.900229 S\n0.774706 0.129568 0.400234 S\n0.063407 0.642831 0.966393 O\n0.563420 0.642822 0.466387 O\n0.159594 0.541008 0.251580 O\n0.659613 0.541008 0.751574 O\n",
"nsites": 16,
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{
"id": "jvasp-11748",
"created_at": "2022-09-04T14:37:05.285605Z",
"updated_at": "2022-09-04T14:37:05.285621Z",
"structure_string": "Na8 Fe2 O6\n1.0\n5.794903 0.000000 0.000000\n-2.897452 4.974395 -2.222804\n0.000000 0.019100 8.239537\nNa Fe O\n8 2 6\ndirect\n0.276968 0.220524 0.950706 Na\n0.726526 0.770726 0.031585 Na\n0.943555 0.220523 0.450706 Na\n0.100777 0.615702 0.849868 Na\n0.514925 0.615702 0.349868 Na\n0.866953 0.411949 0.129677 Na\n0.044199 0.770725 0.531585 Na\n0.544997 0.411950 0.629677 Na\n0.630171 0.961706 0.745034 Fe\n0.331535 0.961706 0.245036 Fe\n0.882302 0.872003 0.791893 O\n0.316126 0.632692 0.609712 O\n0.316567 0.632693 0.109713 O\n0.989701 0.872003 0.291892 O\n0.638935 0.298302 0.342630 O\n0.659365 0.298301 0.842631 O\n",
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"volume": 237.76004416150994,
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"formula_full": "Na8 Fe2 O6",
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},
{
"id": "jvasp-85209",
"created_at": "2022-09-04T14:37:05.436784Z",
"updated_at": "2022-09-04T14:37:05.436801Z",
"structure_string": "Li4 La4 O8\n1.0\n5.730189 0.000000 -1.242031\n0.000000 6.218682 0.000000\n0.033747 0.000000 5.887047\nLi La O\n4 4 8\ndirect\n0.665213 0.357181 0.690251 Li\n0.334788 0.857180 0.809750 Li\n0.334788 0.642819 0.309749 Li\n0.665212 0.142819 0.190251 Li\n0.201679 0.429190 0.801785 La\n0.798322 0.929190 0.698216 La\n0.798322 0.570809 0.198216 La\n0.201678 0.070810 0.301784 La\n0.906877 0.238446 0.985895 O\n0.093124 0.738445 0.514106 O\n0.093124 0.761554 0.014106 O\n0.906876 0.261554 0.485895 O\n0.425648 0.371491 0.204925 O\n0.574353 0.871491 0.295075 O\n0.574353 0.628508 0.795075 O\n0.425648 0.128508 0.704926 O\n",
"nsites": 16,
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],
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"formula_full": "Li4 La4 O8",
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"spacegroup": 14
},
{
"id": "jvasp-34648",
"created_at": "2022-09-04T14:36:51.641497Z",
"updated_at": "2022-09-04T14:36:51.641517Z",
"structure_string": "Rb4 C4 O8\n1.0\n3.575016 0.000000 0.000000\n0.000000 6.324077 -0.000000\n0.000000 0.000000 11.322484\nRb C O\n4 4 8\ndirect\n0.500001 0.093528 0.151821 Rb\n0.500001 0.406472 0.651820 Rb\n0.500001 0.906473 0.848179 Rb\n0.500001 0.593528 0.348179 Rb\n0.000000 0.067587 0.440955 C\n0.000000 0.567588 0.059045 C\n0.000000 0.932413 0.559045 C\n0.000000 0.432413 0.940955 C\n0.000000 0.465708 0.155581 O\n0.000000 0.266852 0.451657 O\n0.000000 0.233148 0.951657 O\n0.000000 0.965709 0.344419 O\n0.000000 0.034292 0.655581 O\n0.000000 0.534292 0.844419 O\n0.000000 0.733148 0.548342 O\n0.000000 0.766852 0.048342 O\n",
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"formula_full": "Rb4 C4 O8",
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"spacegroup": 55
},
{
"id": "jvasp-11001",
"created_at": "2022-09-04T14:36:42.760135Z",
"updated_at": "2022-09-04T14:36:42.760166Z",
"structure_string": "Li4 Ho4 O8\n1.0\n0.000000 6.166155 -0.007653\n6.104002 0.000000 0.000000\n0.000000 -3.071262 -5.464392\nLi Ho O\n4 4 8\ndirect\n0.296367 0.341779 0.071489 Li\n0.703632 0.841779 0.428511 Li\n0.703632 0.658220 0.928511 Li\n0.296367 0.158220 0.571488 Li\n0.231486 0.868251 0.975347 Ho\n0.231486 0.631748 0.475347 Ho\n0.768513 0.131748 0.024652 Ho\n0.768514 0.368252 0.524652 Ho\n0.452204 0.606479 0.261671 O\n0.983719 0.823260 0.147878 O\n0.547795 0.106479 0.238328 O\n0.547796 0.393521 0.738328 O\n0.016280 0.176740 0.852122 O\n0.016280 0.323260 0.352122 O\n0.983719 0.676740 0.647877 O\n0.452204 0.893521 0.761671 O\n",
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],
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"formula_full": "Li4 Ho4 O8",
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{
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"created_at": "2022-09-04T14:37:04.841575Z",
"updated_at": "2022-09-04T14:37:04.841603Z",
"structure_string": "Li4 Mn4 O8\n1.0\n5.656905 0.089712 -0.303192\n0.089712 5.656905 -0.303192\n-2.879414 -2.879414 5.120217\nLi Mn O\n4 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.198564 0.801435 0.250000 Li\n0.801436 0.198565 0.750001 Li\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500001 Mn\n0.500000 -0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.260644 0.745260 0.976092 O\n0.248281 0.251718 0.478092 O\n0.254741 0.739357 0.523909 O\n0.251718 0.248281 0.978092 O\n0.748282 0.751719 0.021909 O\n0.745259 0.260643 0.476092 O\n0.751719 0.748282 0.521909 O\n0.739356 0.254740 0.023909 O\n",
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"spacegroup": 15
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{
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"created_at": "2022-09-04T14:36:39.030777Z",
"updated_at": "2022-09-04T14:36:39.030809Z",
"structure_string": "Li2 Cu2 P2 O8 F2\n1.0\n5.194281 -0.015262 -0.012167\n-0.742099 5.135879 0.000317\n-2.350799 -2.124288 6.430416\nLi Cu P O F\n2 2 2 8 2\ndirect\n0.432169 0.075784 0.803086 Li\n0.567830 0.924216 0.196915 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.879273 0.543654 0.238063 P\n0.120726 0.456346 0.761938 P\n0.175460 0.310862 0.930751 O\n0.328928 0.355405 0.660230 O\n0.671072 0.644595 0.339770 O\n0.816314 0.353997 0.600122 O\n0.824540 0.689138 0.069249 O\n0.183685 0.646003 0.399878 O\n0.219258 0.772065 0.867949 O\n0.780742 0.227935 0.132052 O\n0.684693 0.895335 0.742497 F\n0.315307 0.104665 0.257504 F\n",
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},
{
"id": "jvasp-11507",
"created_at": "2022-09-04T14:37:05.677192Z",
"updated_at": "2022-09-04T14:37:05.677220Z",
"structure_string": "Mo4 O12\n1.0\n5.303206 -0.097906 -0.018819\n0.101296 5.382209 -0.020876\n0.091385 0.028247 7.553659\nMo O\n4 12\ndirect\n0.472778 0.005007 0.974804 Mo\n0.957048 0.490427 0.990692 Mo\n0.972838 0.494812 0.474805 Mo\n0.457042 0.009480 0.490688 Mo\n0.299418 0.291975 0.544220 O\n0.800880 0.213249 0.467656 O\n0.224030 0.788853 0.968723 O\n0.719914 0.710581 0.043732 O\n0.724128 0.711272 0.468530 O\n0.219915 0.789477 0.543479 O\n0.799430 0.208043 0.043980 O\n0.300889 0.286803 0.967449 O\n0.938068 0.489410 0.757876 O\n0.438128 0.011080 0.257870 O\n0.087799 0.510947 0.252741 O\n0.587719 0.988579 0.752747 O\n",
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{
"id": "jvasp-104140",
"created_at": "2022-09-04T14:37:01.120378Z",
"updated_at": "2022-09-04T14:37:01.120402Z",
"structure_string": "H6 C8 O2\n1.0\n3.759549 0.072909 0.322393\n0.812703 5.306128 1.918829\n0.116683 0.176735 7.322051\nH C O\n6 8 2\ndirect\n0.244301 0.434852 0.713104 H\n0.679621 0.434940 0.953433 H\n0.556076 0.706858 0.028065 H\n0.831869 0.370511 0.495681 H\n0.691941 0.094002 0.836763 H\n0.385602 0.711286 0.370393 H\n0.780543 0.586390 0.981361 C\n0.130914 0.208805 0.199618 C\n0.851857 0.012256 0.735529 C\n0.929382 0.166554 0.545113 C\n0.955253 0.747398 0.795730 C\n0.116439 0.057925 0.411958 C\n0.162996 0.640911 0.665892 C\n0.243043 0.794221 0.475435 C\n-0.005879 0.460829 0.159278 O\n0.230680 0.117292 0.070993 O\n",
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}
]
}