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{
"id": "jvasp-29119",
"created_at": "2022-09-04T14:37:08.816857Z",
"updated_at": "2022-09-04T14:37:08.816868Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345557 0.000008 -0.000791\n-1.672772 2.897318 0.000778\n-0.008131 0.004188 33.624722\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.664906 0.331167 0.024869 Te\n0.665290 0.330733 0.137969 Te\n0.331749 0.664288 0.081351 Mo\n0.333150 0.665979 0.471504 Mo\n0.667038 0.334337 0.282762 W\n0.667993 0.335240 0.667281 W\n0.334914 0.668534 0.717060 Se\n0.666338 0.332961 0.421940 Se\n0.666667 0.332588 0.521073 Se\n0.334508 0.668776 0.617431 Se\n0.333809 0.667393 0.328122 S\n0.333654 0.668017 0.237388 S\n",
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{
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"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n6.689749 -0.000000 3.862328\n2.229916 6.307155 3.862328\n-0.000000 -0.000000 7.724656\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757235 0.242765 0.242765 Br\n0.242765 0.242765 0.757235 Br\n0.242765 0.757235 0.757235 Br\n0.242765 0.757235 0.242765 Br\n0.757235 0.242765 0.757235 Br\n0.757235 0.757235 0.242765 Br\n",
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{
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"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
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"spacegroup": 95
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{
"id": "jvasp-119384",
"created_at": "2022-09-04T14:38:32.049277Z",
"updated_at": "2022-09-04T14:38:32.049306Z",
"structure_string": "Rb4 Fe4 O8\n1.0\n5.287278 0.905658 -0.540706\n1.559638 9.723772 0.490939\n0.257346 0.391832 6.513911\nRb Fe O\n4 4 8\ndirect\n0.846015 0.348402 0.013506 Rb\n0.346121 0.848413 0.513538 Rb\n0.153887 0.651605 -0.013537 Rb\n0.653983 0.151579 0.486492 Rb\n0.249828 0.498845 0.502702 Fe\n0.250175 0.001155 -0.002700 Fe\n0.749980 0.998839 0.002735 Fe\n0.750019 0.501160 0.497263 Fe\n0.998181 0.486533 0.313128 O\n0.498354 -0.013502 0.813171 O\n0.508960 0.464028 0.322642 O\n0.009093 0.964055 0.822661 O\n0.490901 0.535956 0.677335 O\n-0.008950 0.035958 0.177362 O\n0.001649 0.513501 0.686828 O\n0.501817 0.013469 0.186871 O\n",
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{
"id": "jvasp-107102",
"created_at": "2022-09-04T14:36:59.414298Z",
"updated_at": "2022-09-04T14:36:59.414308Z",
"structure_string": "K2 Na1 As1 Br6\n1.0\n6.688941 -0.000000 3.861862\n2.229647 6.306394 3.861862\n-0.000000 -0.000000 7.723724\nK Na As Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.757363 0.242637 0.242636 Br\n0.242637 0.242637 0.757363 Br\n0.242637 0.757363 0.757363 Br\n0.242637 0.757363 0.242636 Br\n0.757363 0.242637 0.757363 Br\n0.757364 0.757363 0.242636 Br\n",
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{
"id": "jvasp-98938",
"created_at": "2022-09-04T14:35:54.484382Z",
"updated_at": "2022-09-04T14:35:54.484409Z",
"structure_string": "Ba4 Si4 O12\n1.0\n4.614063 0.000000 0.000000\n0.000000 5.644155 0.000000\n0.000000 0.000000 12.509433\nBa Si O\n4 4 12\ndirect\n0.771750 0.186780 0.357914 Ba\n0.228250 0.686780 0.142086 Ba\n0.728249 0.813219 0.857914 Ba\n0.271750 0.313219 0.642085 Ba\n0.326150 0.699943 0.426315 Si\n0.826150 0.800056 0.573685 Si\n0.673849 0.199943 0.073685 Si\n0.173850 0.300056 0.926315 Si\n0.818465 0.280874 0.955673 O\n0.318465 0.219125 0.044327 O\n0.239847 0.576969 0.904452 O\n0.258307 0.888116 0.332540 O\n0.758307 0.611883 0.667460 O\n0.741692 0.388116 0.167460 O\n0.241692 0.111883 0.832540 O\n0.260152 0.423030 0.404452 O\n0.760152 0.076969 0.595548 O\n0.739847 0.923030 0.095548 O\n0.681534 0.719125 0.455673 O\n0.181534 0.780874 0.544326 O\n",
"nsites": 20,
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{
"id": "jvasp-45763",
"created_at": "2022-09-04T14:37:59.866550Z",
"updated_at": "2022-09-04T14:37:59.866573Z",
"structure_string": "Na4 Tm2 P2 C2 O14\n1.0\n0.000000 5.070907 0.010006\n6.905600 0.000000 0.000000\n0.000000 -0.180423 -9.303390\nNa Tm P C O\n4 2 2 2 14\ndirect\n0.234786 0.490233 0.211985 Na\n0.234786 0.009767 0.211985 Na\n0.765215 0.509767 0.788014 Na\n0.765215 0.990233 0.788014 Na\n0.778119 0.750000 0.369795 Tm\n0.221883 0.250000 0.630205 Tm\n0.696120 0.250000 0.415624 P\n0.303881 0.750000 0.584376 P\n0.727469 0.750000 0.079991 C\n0.272532 0.250000 0.920008 C\n0.470755 0.250000 0.829859 O\n0.194662 0.933759 0.655429 O\n0.194662 0.566241 0.655429 O\n0.776327 0.250000 0.579640 O\n0.611574 0.750000 0.592100 O\n0.388427 0.250000 0.407899 O\n0.960390 0.750000 0.143769 O\n0.805339 0.433759 0.344570 O\n0.805339 0.066241 0.344570 O\n0.529246 0.750000 0.170140 O\n0.039611 0.250000 0.856231 O\n0.307385 0.250000 0.054274 O\n0.223675 0.750000 0.420360 O\n0.692616 0.750000 0.945726 O\n",
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{
"id": "jvasp-104536",
"created_at": "2022-09-04T14:36:47.211498Z",
"updated_at": "2022-09-04T14:36:47.211508Z",
"structure_string": "K1 Rb2 Lu1 Cl6\n1.0\n6.688529 -0.000000 3.861624\n2.229510 6.306006 3.861624\n-0.000000 -0.000000 7.723249\nK Rb Lu Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.765707 0.234293 0.234292 Cl\n0.234293 0.234293 0.765707 Cl\n0.234293 0.765708 0.765706 Cl\n0.234293 0.765708 0.234292 Cl\n0.765707 0.234293 0.765707 Cl\n0.765707 0.765708 0.234292 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.953081Z",
"updated_at": "2022-09-04T14:38:42.953111Z",
"structure_string": "Dy4 Mg2 Se8\n1.0\n7.029373 0.031220 -2.647293\n-3.356093 6.176544 -2.647293\n-0.018474 -0.031220 7.511318\nDy Mg Se\n4 2 8\ndirect\n0.875000 0.749640 0.374641 Dy\n0.499641 0.125000 0.874641 Dy\n0.375000 0.500359 0.625360 Dy\n0.250359 0.625000 0.125359 Dy\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.508265 0.378116 0.261937 Se\n0.753672 0.491735 0.869853 Se\n0.116181 0.246328 0.738063 Se\n0.621883 0.883819 0.130147 Se\n0.241735 0.003672 0.369853 Se\n0.996327 0.366180 0.238063 Se\n0.633819 0.871883 0.630148 Se\n0.128117 0.758264 0.761937 Se\n",
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{
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"structure_string": "Cd2 Cu4 Ge2 S8\n1.0\n6.357971 0.000000 0.000000\n0.000000 6.601879 0.000000\n0.000000 0.000000 7.758645\nCd Cu Ge S\n2 4 2 8\ndirect\n0.506593 0.843009 0.500000 Cd\n0.006593 0.156991 0.000000 Cd\n0.004706 0.671897 0.749198 Cu\n0.504706 0.328103 0.249198 Cu\n0.504706 0.328103 0.750802 Cu\n0.004706 0.671897 0.250802 Cu\n0.009428 0.176475 0.500000 Ge\n0.509428 0.823525 0.000000 Ge\n0.103856 0.843038 0.500000 S\n0.603855 0.156962 0.000000 S\n0.651409 0.204062 0.500000 S\n0.151409 0.795938 0.000000 S\n0.642151 0.654826 0.768337 S\n0.642151 0.654826 0.231664 S\n0.142151 0.345174 0.268337 S\n0.142151 0.345174 0.731664 S\n",
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{
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"updated_at": "2022-09-04T14:38:06.855887Z",
"structure_string": "Sr5 Ta4 O15\n1.0\n2.848185 -4.933200 0.000000\n2.848185 4.933200 0.000000\n0.000000 -0.000000 11.588168\nSr Ta O\n5 4 15\ndirect\n0.333332 0.666666 0.439233 Sr\n0.333332 0.666666 0.777694 Sr\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333332 0.222306 Sr\n0.666666 0.333332 0.560767 Sr\n0.333332 0.666666 0.104897 Ta\n0.000000 0.000000 0.318532 Ta\n0.000000 0.000000 0.681468 Ta\n0.666666 0.333332 0.895103 Ta\n0.830679 0.661360 0.391811 O\n0.835244 0.670489 0.806792 O\n0.500000 -0.000000 0.000000 O\n0.661360 0.830679 0.608189 O\n0.329509 0.164754 0.806792 O\n0.499999 0.499999 0.000000 O\n0.164754 0.835244 0.193208 O\n0.338638 0.169319 0.391811 O\n0.169319 0.338638 0.608189 O\n0.164754 0.329509 0.193208 O\n0.835244 0.164754 0.806792 O\n-0.000000 0.500000 0.000000 O\n0.169319 0.830680 0.608189 O\n0.670489 0.835244 0.193208 O\n0.830680 0.169319 0.391811 O\n",
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{
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"created_at": "2022-09-04T14:38:48.636937Z",
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"structure_string": "Yb8 Ni2\n1.0\n6.687766 -0.000000 3.861183\n2.229255 6.305286 3.861183\n-0.000000 -0.000000 7.722367\nYb Ni\n8 2\ndirect\n0.380175 0.380174 0.380174 Yb\n0.380175 0.380174 0.859477 Yb\n0.380175 0.859478 0.380173 Yb\n0.869827 0.869826 0.390521 Yb\n0.869827 0.869826 0.869825 Yb\n0.859478 0.380174 0.380173 Yb\n0.869827 0.390523 0.869825 Yb\n0.390523 0.869826 0.869825 Yb\n0.000000 0.000000 0.000000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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}