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{
"id": "jvasp-116646",
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"structure_string": "Sr2 La2 Mg2 Ru2 O12\n1.0\n5.609583 0.000000 0.000000\n-0.000000 4.567475 3.230451\n-0.000000 -0.004936 9.673815\nSr La Mg Ru O\n2 2 2 2 12\ndirect\n0.222434 0.245558 0.250187 Sr\n0.777566 0.245558 0.750187 Sr\n0.284808 0.756288 0.750925 La\n0.715191 0.756288 0.250925 La\n0.753299 0.499945 0.000491 Mg\n0.246700 0.499945 0.500492 Mg\n0.750905 -0.000142 0.500174 Ru\n0.249095 -0.000142 0.000174 Ru\n0.240381 0.319357 0.755809 O\n0.759618 0.319358 0.255809 O\n0.522228 0.818561 0.965566 O\n0.477772 0.818562 0.465565 O\n0.968114 0.167369 0.038037 O\n0.042461 0.757855 0.962026 O\n0.466435 0.239133 0.032735 O\n0.533565 0.239132 0.532736 O\n0.734636 0.696076 0.744052 O\n0.957539 0.757856 0.462026 O\n0.031886 0.167369 0.538037 O\n0.265363 0.696076 0.244052 O\n",
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{
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"structure_string": "Ba4 B8 S12 O52\n1.0\n17.216668 0.000000 0.000000\n0.000000 12.328108 0.000000\n0.000000 0.000000 4.439351\nBa B S O\n4 8 12 52\ndirect\n0.275564 0.750000 0.467287 Ba\n0.775564 0.750000 0.032713 Ba\n0.724436 0.250000 0.532713 Ba\n0.224436 0.250000 0.967287 Ba\n0.074511 0.647874 0.428982 B\n0.574511 0.852126 0.071018 B\n0.925490 0.147874 0.571018 B\n0.425489 0.352126 0.928982 B\n0.425489 0.147874 0.928982 B\n0.074511 0.852126 0.428982 B\n0.574511 0.647874 0.071018 B\n0.925490 0.352126 0.571018 B\n0.643971 0.559722 0.564569 S\n0.051635 0.250000 0.359975 S\n0.551635 0.250000 0.140025 S\n0.948365 0.750000 0.640025 S\n0.448365 0.750000 0.859975 S\n0.143970 0.940279 0.935430 S\n0.356030 0.059721 0.435430 S\n0.856030 0.440279 0.064569 S\n0.356030 0.440279 0.435430 S\n0.856030 0.059721 0.064569 S\n0.643971 0.940279 0.564569 S\n0.143970 0.559722 0.935430 S\n0.051224 0.250000 0.037385 O\n0.159613 0.448636 0.012010 O\n0.659613 0.051364 0.487990 O\n0.840388 0.948636 0.987990 O\n0.340388 0.551364 0.512010 O\n0.840388 0.551364 0.987990 O\n0.340388 0.948636 0.512010 O\n0.159613 0.051364 0.012010 O\n0.659613 0.448636 0.487990 O\n0.116245 0.560960 0.605934 O\n0.616245 0.939040 0.894066 O\n0.426494 0.103389 0.609871 O\n0.383755 0.439040 0.105934 O\n0.883755 0.439040 0.394066 O\n0.383755 0.060960 0.105934 O\n0.116245 0.939040 0.605934 O\n0.616245 0.560960 0.894066 O\n0.073506 0.603389 0.109871 O\n0.573506 0.896611 0.390129 O\n0.926494 0.103389 0.890129 O\n0.426494 0.396611 0.609871 O\n0.926494 0.396611 0.890129 O\n0.551224 0.250000 0.462614 O\n0.883755 0.060960 0.394066 O\n0.948776 0.750000 0.962614 O\n0.709952 0.866956 0.529089 O\n0.129713 0.250000 0.484489 O\n0.111912 0.750000 0.459097 O\n0.611912 0.750000 0.040903 O\n0.888088 0.250000 0.540902 O\n0.388088 0.250000 0.959097 O\n0.491432 0.649785 0.985061 O\n0.991432 0.850215 0.514938 O\n0.508568 0.149785 0.014938 O\n0.008568 0.350215 0.485061 O\n0.508568 0.350215 0.014938 O\n0.008568 0.149785 0.485061 O\n0.491432 0.850215 0.985061 O\n0.991432 0.649785 0.514938 O\n0.209952 0.633044 0.970911 O\n0.073506 0.896611 0.109871 O\n0.790048 0.133044 0.029089 O\n0.290048 0.366956 0.470911 O\n0.790048 0.366956 0.029089 O\n0.290048 0.133044 0.470911 O\n0.209952 0.866956 0.970911 O\n0.709952 0.633044 0.529089 O\n0.370287 0.750000 0.984489 O\n0.870287 0.750000 0.515511 O\n0.629713 0.250000 0.015511 O\n0.448776 0.750000 0.537385 O\n0.573506 0.603389 0.390129 O\n",
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{
"id": "jvasp-40654",
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"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 8.195386 0.038832\n5.273883 0.000000 0.000000\n0.000000 -2.385931 -8.043097\nLi Mn P O\n4 4 4 16\ndirect\n0.134980 0.335264 0.792171 Li\n0.630850 0.825590 0.613015 Li\n0.134980 0.664735 0.292171 Li\n0.630850 0.174410 0.113014 Li\n0.032066 0.836582 0.920052 Mn\n0.507842 0.322120 0.728417 Mn\n0.032066 0.163418 0.420052 Mn\n0.507842 0.677879 0.228417 Mn\n0.260993 0.180147 0.167944 P\n0.749987 0.327561 0.493460 P\n0.260993 0.819852 0.667944 P\n0.749987 0.672439 0.993460 P\n0.422789 0.315747 0.153666 O\n0.770725 0.201653 0.332201 O\n0.295503 0.892564 0.211837 O\n0.196921 0.310179 0.304819 O\n0.681349 0.602221 0.454812 O\n0.933650 0.316106 0.613592 O\n0.622530 0.177750 0.562925 O\n0.681349 0.397779 0.954812 O\n0.422789 0.684252 0.653666 O\n0.770725 0.798346 0.832201 O\n0.295504 0.107435 0.711837 O\n0.196921 0.689820 0.804820 O\n0.622530 0.822249 0.062924 O\n0.121019 0.191493 0.997294 O\n0.121019 0.808506 0.497294 O\n0.933650 0.683894 0.113592 O\n",
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{
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"structure_string": "Mn2 F6\n1.0\n2.517028 4.360647 0.000244\n-2.517028 4.360647 -0.000244\n0.004463 0.000000 4.518312\nMn F\n2 6\ndirect\n0.666677 0.666700 0.499997 Mn\n0.333301 0.333324 0.499997 Mn\n0.636862 0.999788 0.277306 F\n0.000213 0.363139 0.277306 F\n0.363573 0.636428 0.277462 F\n0.636406 0.363595 0.722533 F\n0.999765 0.636884 0.722688 F\n0.363117 0.000236 0.722688 F\n",
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{
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"created_at": "2022-09-04T14:37:09.002763Z",
"updated_at": "2022-09-04T14:37:09.002787Z",
"structure_string": "Te1 N2\n1.0\n-3.732175 0.000000 0.000000\n-0.000000 3.732175 0.000000\n1.866088 -1.866088 -2.670321\nTe N\n1 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.750001 0.250000 0.500000 N\n0.250000 0.750001 0.500000 N\n",
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{
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"updated_at": "2022-09-04T14:36:37.116321Z",
"structure_string": "K1 Na1 Mg2 F6\n1.0\n4.847231 -0.000000 2.798550\n1.615744 4.570013 2.798550\n-0.000000 -0.000000 5.597100\nK Na Mg F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.750000 Mg\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.500000 F\n-0.000000 0.500000 0.000000 F\n-0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:35:44.636533Z",
"structure_string": "Be2 Nb1 Tc1\n1.0\n3.062260 0.000000 0.000000\n0.000000 3.062260 0.000000\n0.000000 0.000000 5.288836\nBe Nb Tc\n2 1 1\ndirect\n0.000000 0.000000 0.204436 Be\n0.000000 0.000000 0.795565 Be\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 Tc\n",
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"structure_string": "Be2 Nb1 Tc1\n1.0\n3.062276 0.000000 0.000000\n0.000000 3.062276 0.000000\n0.000000 0.000000 5.288842\nBe Nb Tc\n2 1 1\ndirect\n0.000000 0.000000 0.704436 Be\n0.000000 0.000000 0.295564 Be\n0.500001 0.500001 0.000000 Nb\n0.500001 0.500001 0.500000 Tc\n",
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{
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"updated_at": "2022-09-04T14:37:07.113580Z",
"structure_string": "Ta2 In2 O8\n1.0\n0.000000 4.871361 -0.003898\n5.858055 0.000000 0.000000\n0.000000 -0.115978 -5.213943\nTa In O\n2 2 8\ndirect\n-0.000000 0.827411 0.750000 Ta\n-0.000000 0.172588 0.250000 Ta\n0.500000 0.322914 0.750000 In\n0.500000 0.677085 0.250000 In\n0.740965 0.620119 0.599261 O\n0.259034 0.620119 0.900739 O\n0.259034 0.379880 0.400739 O\n0.740966 0.379880 0.099261 O\n0.785485 0.102538 0.563696 O\n0.214514 0.102538 0.936304 O\n0.214515 0.897461 0.436304 O\n0.785485 0.897461 0.063696 O\n",
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{
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"updated_at": "2022-09-04T14:36:13.309512Z",
"structure_string": "Li2 Mn4 O2 F6\n1.0\n0.000000 6.217567 0.000000\n-5.384633 3.108783 0.000101\n0.000020 0.000000 5.185106\nLi Mn O F\n2 4 2 6\ndirect\n0.666658 0.666684 0.021587 Li\n0.333342 0.333316 0.978413 Li\n0.500000 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666669 0.666660 0.664338 O\n0.333331 0.333339 0.335663 O\n0.348402 0.825800 0.210982 F\n0.825798 0.825800 0.210982 F\n0.174222 0.651554 0.789058 F\n0.825778 0.348445 0.210942 F\n0.651599 0.174200 0.789018 F\n0.174202 0.174200 0.789018 F\n",
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{
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{
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"created_at": "2022-09-04T14:35:50.294624Z",
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"structure_string": "Mg1 Be2 V1\n1.0\n2.710174 0.000000 -0.000000\n0.000000 2.710174 0.000000\n0.000000 0.000000 6.752735\nMg Be V\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mg\n0.000000 0.000000 0.730814 Be\n0.000000 0.000000 0.269186 Be\n0.499999 0.499999 0.500000 V\n",
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}