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{
"id": "jvasp-10183",
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"structure_string": "Ba2 Ga4 Se8\n1.0\n6.501387 -0.116590 0.000000\n-3.311040 5.596305 0.000000\n0.000000 0.000000 11.421080\nBa Ga Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ba\n0.500000 0.500000 0.750000 Ba\n0.242560 0.759138 0.500000 Ga\n0.757441 0.240862 0.500000 Ga\n0.240863 0.757441 0.000000 Ga\n0.759138 0.242560 0.000000 Ga\n0.500000 0.000000 0.336136 Se\n0.000000 0.500000 0.163864 Se\n0.653132 0.825016 0.000000 Se\n0.346868 0.174985 0.000000 Se\n0.825016 0.653132 0.500000 Se\n0.174985 0.346868 0.500000 Se\n0.500000 0.000000 0.663865 Se\n0.000000 0.500000 0.836136 Se\n",
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{
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"structure_string": "Sr2 Al4 Se8\n1.0\n6.308245 -0.035815 0.000000\n-3.167724 5.455343 0.000000\n0.000000 0.000000 10.996902\nSr Al Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.240990 0.761445 0.500000 Al\n0.759011 0.238553 0.500000 Al\n0.761446 0.240989 0.000000 Al\n0.238555 0.759010 0.000000 Al\n0.000000 0.500000 0.832139 Se\n0.000000 0.500000 0.167860 Se\n0.500000 -0.000000 0.332140 Se\n0.652560 0.817709 0.000000 Se\n0.347440 0.182289 0.000000 Se\n0.817711 0.652559 0.500000 Se\n0.182290 0.347440 0.500000 Se\n0.500000 -0.000000 0.667860 Se\n",
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{
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"structure_string": "Mn4 Al8 Si10 O36\n1.0\n9.426039 0.000000 0.000000\n0.000000 8.457996 -4.821572\n0.000000 0.007374 9.842226\nMn Al Si O\n4 8 10 36\ndirect\n0.250000 0.337489 0.674978 Mn\n0.750000 0.337489 0.674978 Mn\n0.250000 0.662510 0.325023 Mn\n0.750000 0.662510 0.325023 Mn\n0.750295 0.500000 0.500000 Al\n0.500000 0.363170 0.109131 Al\n0.500000 0.636829 0.890868 Al\n0.000000 0.254038 0.890868 Al\n0.000000 0.745962 0.109132 Al\n0.749706 -0.000000 0.500000 Al\n0.249706 0.500000 0.500000 Al\n0.250294 -0.000000 0.500000 Al\n0.000000 0.376954 0.267143 Si\n0.500000 0.732674 0.610794 Si\n0.500000 0.890189 0.267143 Si\n0.500000 0.109811 0.732857 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.267326 0.389206 Si\n0.000000 0.623046 0.732857 Si\n0.000000 0.878119 0.610793 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.121881 0.389206 Si\n0.652005 0.481035 0.128641 O\n0.856618 0.851901 0.503876 O\n0.652005 0.518964 0.871360 O\n0.152004 0.647606 0.128642 O\n0.152004 0.352395 0.871360 O\n0.347996 0.518964 0.871360 O\n0.347996 0.481035 0.128641 O\n0.500000 0.080444 0.332317 O\n0.643382 0.651975 0.503875 O\n0.500000 0.919556 0.667683 O\n0.000000 0.748127 0.667683 O\n0.000000 0.251874 0.332318 O\n0.500000 0.307194 0.249671 O\n0.500000 0.692806 0.750330 O\n0.000000 0.057523 0.750330 O\n0.000000 0.942477 0.249671 O\n0.500000 0.788605 0.081962 O\n0.500000 0.211395 0.918039 O\n0.000000 0.706643 0.918039 O\n0.000000 0.293357 0.081961 O\n0.856511 0.486087 0.344486 O\n0.856511 0.513914 0.655514 O\n0.643488 0.141601 0.655514 O\n0.643488 0.858400 0.344487 O\n0.143488 0.513914 0.655514 O\n0.143488 0.486087 0.344486 O\n0.356511 0.858400 0.344487 O\n0.356511 0.141601 0.655514 O\n0.847996 0.352395 0.871360 O\n0.847996 0.647606 0.128642 O\n0.356618 0.348025 0.496126 O\n0.356618 0.651975 0.503875 O\n0.143382 0.851901 0.503876 O\n0.143382 0.148099 0.496125 O\n0.643382 0.348025 0.496126 O\n0.856618 0.148099 0.496125 O\n",
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"formula_full": "Mn4 Al8 Si10 O36",
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{
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"created_at": "2022-09-04T14:37:39.124715Z",
"updated_at": "2022-09-04T14:37:39.124735Z",
"structure_string": "Sr2 In4 Te8\n1.0\n6.907971 0.176095 0.000000\n-3.277498 6.083509 0.000000\n0.000000 0.000000 11.903866\nSr In Te\n2 4 8\ndirect\n0.500000 0.500000 0.750000 Sr\n0.500000 0.500000 0.250000 Sr\n0.228851 0.764804 0.000000 In\n0.771148 0.235195 0.000000 In\n0.764804 0.228851 0.500000 In\n0.235196 0.771148 0.500000 In\n0.658512 0.789294 0.000000 Te\n0.341487 0.210706 0.000000 Te\n0.789294 0.658512 0.500000 Te\n0.210706 0.341487 0.500000 Te\n0.500000 -0.000000 0.685979 Te\n-0.000000 0.500000 0.814021 Te\n0.500000 -0.000000 0.314021 Te\n-0.000000 0.500000 0.185979 Te\n",
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{
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"created_at": "2022-09-04T14:38:08.590890Z",
"updated_at": "2022-09-04T14:38:08.590919Z",
"structure_string": "Al4 Pb2 Se8\n1.0\n6.284386 -0.110308 0.000000\n-3.068368 5.485508 0.000000\n0.000000 0.000000 10.937202\nAl Pb Se\n4 2 8\ndirect\n0.238163 0.759139 0.000000 Al\n0.240862 0.761837 0.500000 Al\n0.759139 0.238163 0.500000 Al\n0.761837 0.240861 0.000000 Al\n0.500000 0.500000 0.250000 Pb\n0.500000 0.500000 0.750000 Pb\n-0.000000 0.500000 0.169121 Se\n0.183974 0.346952 0.500000 Se\n0.500000 -0.000000 0.330879 Se\n0.346952 0.183974 0.000000 Se\n0.653049 0.816026 0.000000 Se\n0.500000 -0.000000 0.669121 Se\n0.816026 0.653048 0.500000 Se\n-0.000000 0.500000 0.830879 Se\n",
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{
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"created_at": "2022-09-04T14:38:31.511013Z",
"updated_at": "2022-09-04T14:38:31.511038Z",
"structure_string": "Cu4 Hg2 I8\n1.0\n8.346353 0.000000 0.000000\n-4.173177 4.026423 0.000000\n0.000000 0.000000 15.757400\nCu Hg I\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.499999 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.499999 0.500000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.230129 0.508428 0.124057 I\n0.278297 0.508428 0.624057 I\n0.278297 0.508428 0.375943 I\n0.230129 0.508428 0.875943 I\n0.769870 0.491571 0.124057 I\n0.721701 0.491571 0.375943 I\n0.721701 0.491571 0.624057 I\n0.769870 0.491571 0.875943 I\n",
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{
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"updated_at": "2022-09-04T14:38:31.846589Z",
"structure_string": "Ca6 Sn4 S14\n1.0\n0.000000 0.000000 6.957980\n1.852955 -6.681481 0.000000\n11.067631 6.667029 0.000000\nCa Sn S\n6 4 14\ndirect\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.834854 0.129136 Ca\n0.500000 0.165145 0.870864 Ca\n0.000000 0.294282 0.129136 Ca\n0.000000 0.705718 0.870864 Ca\n0.500000 0.615553 0.714406 Sn\n0.500000 0.384446 0.285594 Sn\n0.000000 0.098852 0.714406 Sn\n0.000000 0.901147 0.285594 Sn\n0.250000 0.380409 0.760819 S\n0.250000 0.619590 0.239181 S\n0.000000 0.881249 0.090634 S\n0.000000 0.118750 0.909366 S\n0.500000 0.209384 0.090634 S\n0.500000 0.790615 0.909365 S\n0.000000 -0.000000 0.500000 S\n0.750000 0.176020 0.352041 S\n0.250000 0.176020 0.352041 S\n0.250000 0.823979 0.647959 S\n0.750000 0.380409 0.760819 S\n0.500000 0.500000 0.500000 S\n0.750000 0.823979 0.647959 S\n0.750000 0.619590 0.239181 S\n",
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{
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"created_at": "2022-09-04T14:38:32.971429Z",
"updated_at": "2022-09-04T14:38:32.971456Z",
"structure_string": "Sr2 Ga4 Te8\n1.0\n6.763201 0.001376 0.000000\n-3.357263 5.871088 0.000000\n0.000000 0.000000 11.762222\nSr Ga Te\n2 4 8\ndirect\n0.500000 0.500001 0.250000 Sr\n0.500000 0.500001 0.750000 Sr\n0.242273 0.760564 0.500000 Ga\n0.757728 0.239437 0.500000 Ga\n0.239437 0.757728 0.000000 Ga\n0.760564 0.242273 0.000000 Ga\n0.661873 0.810530 0.000000 Te\n0.338127 0.189471 0.000000 Te\n0.810530 0.661874 0.500000 Te\n0.189471 0.338127 0.500000 Te\n0.500000 0.000000 0.676030 Te\n0.000000 0.500000 0.823970 Te\n0.500000 0.000000 0.323970 Te\n0.000000 0.500000 0.176030 Te\n",
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{
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"created_at": "2022-09-04T14:38:36.853284Z",
"updated_at": "2022-09-04T14:38:36.853304Z",
"structure_string": "Tl8 Cr2 I12\n1.0\n9.177935 -0.052730 0.000000\n-0.300650 9.173161 0.000000\n0.000000 0.000000 9.670822\nTl Cr I\n8 2 12\ndirect\n0.140392 0.859608 0.250000 Tl\n0.859608 0.140392 0.750000 Tl\n0.140392 0.859608 0.750000 Tl\n0.350175 0.350175 0.250000 Tl\n0.649825 0.649825 0.250000 Tl\n0.649825 0.649825 0.750000 Tl\n0.350175 0.350175 0.750000 Tl\n0.859608 0.140392 0.250000 Tl\n0.500000 0.000000 0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.146480 0.180537 0.500000 I\n0.367241 0.715219 0.000000 I\n-0.000000 0.500000 0.216135 I\n0.500000 0.000000 0.716135 I\n-0.000000 0.500000 0.783865 I\n0.632759 0.284781 0.000000 I\n0.715219 0.367241 0.500000 I\n0.284781 0.632759 0.500000 I\n0.180537 0.146480 0.000000 I\n0.819463 0.853520 0.000000 I\n0.853521 0.819463 0.500000 I\n0.500000 0.000000 0.283865 I\n",
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{
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"created_at": "2022-09-04T14:38:40.730896Z",
"updated_at": "2022-09-04T14:38:40.730924Z",
"structure_string": "Ca2 Ga4 S8\n1.0\n5.882266 0.037874 0.000000\n-2.802281 5.172012 0.000000\n0.000000 0.000000 10.142938\nCa Ga S\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Ca\n0.500000 0.499999 0.250000 Ca\n0.770108 0.233988 0.500000 Ga\n0.229892 0.766011 0.500000 Ga\n0.766011 0.229891 -0.000000 Ga\n0.233989 0.770107 -0.000000 Ga\n0.353178 0.196207 0.500000 S\n0.646822 0.803792 0.500000 S\n0.803793 0.646821 -0.000000 S\n0.196207 0.353178 -0.000000 S\n0.500000 -0.000000 0.827404 S\n-0.000000 0.500000 0.672597 S\n0.500000 -0.000000 0.172597 S\n-0.000000 0.500000 0.327403 S\n",
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{
"id": "jvasp-112876",
"created_at": "2022-09-04T14:38:44.175152Z",
"updated_at": "2022-09-04T14:38:44.175169Z",
"structure_string": "Sr2 Ga4 Se8\n1.0\n6.316442 0.032003 0.000000\n-3.164240 5.466813 0.000000\n0.000000 0.000000 10.996780\nSr Ga Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.763404 0.239568 0.500000 Ga\n0.236595 0.760431 0.500000 Ga\n0.760431 0.236595 -0.000000 Ga\n0.239568 0.763404 -0.000000 Ga\n0.346366 0.187712 0.500000 Se\n0.653633 0.812287 0.500000 Se\n0.812287 0.653633 -0.000000 Se\n0.187712 0.346366 -0.000000 Se\n0.500000 -0.000000 0.828936 Se\n-0.000000 0.500000 0.671064 Se\n0.500000 -0.000000 0.171064 Se\n-0.000000 0.500000 0.328936 Se\n",
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{
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"created_at": "2022-09-04T14:38:46.531452Z",
"updated_at": "2022-09-04T14:38:46.531474Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n6.045864 0.000039 0.000117\n-0.000181 6.761349 -3.412003\n-0.000034 0.043316 8.490025\nLi Mn P O\n4 4 4 16\ndirect\n0.766607 0.259315 0.518604 Li\n0.266597 0.259369 0.518609 Li\n0.266597 0.740636 0.481398 Li\n0.766607 0.740683 0.481393 Li\n0.016605 0.315102 0.199959 Mn\n0.016581 0.684899 0.800043 Mn\n0.516610 0.115143 0.799979 Mn\n0.516591 0.884858 0.200023 Mn\n0.016649 0.917691 0.253545 P\n0.516651 0.335820 0.253502 P\n0.516641 0.664180 0.746500 P\n0.016657 0.082310 0.746456 P\n0.016604 0.150807 0.346868 O\n0.516600 0.196035 0.346844 O\n0.228781 0.847192 0.312675 O\n0.728802 0.465428 0.312633 O\n0.728780 0.534565 0.687360 O\n0.228801 0.152806 0.687330 O\n0.804464 0.847140 0.312570 O\n0.516774 0.211137 0.054962 O\n0.304447 0.534624 0.687465 O\n0.804484 0.152861 0.687425 O\n0.016796 0.843880 0.055006 O\n0.516789 0.788866 0.945041 O\n0.016600 0.849194 0.653134 O\n0.016784 0.156124 0.944995 O\n0.304469 0.465384 0.312547 O\n0.516600 0.803966 0.653157 O\n",
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]
}