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{
"id": "jvasp-3762",
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"structure_string": "K2 Pd1 Br4\n1.0\n7.373936 0.000000 0.000000\n0.000000 7.373936 0.000000\n0.000000 0.000000 4.230938\nK Pd Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.762620 0.762620 0.000000 Br\n0.237381 0.237381 0.000000 Br\n0.237381 0.762620 0.000000 Br\n0.762620 0.237381 0.000000 Br\n",
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{
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{
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"structure_string": "Ba4 Mg1 W1\n1.0\n0.000000 4.863308 4.863308\n4.863308 -0.000000 4.863308\n4.863308 4.863308 -0.000000\nBa Mg W\n4 1 1\ndirect\n0.121765 0.626079 0.626079 Ba\n0.626079 0.626079 0.626079 Ba\n0.626079 0.121765 0.626079 Ba\n0.626079 0.626079 0.121765 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 W\n",
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{
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"structure_string": "H20 C12\n1.0\n4.960889 0.017394 1.333263\n1.045104 5.628126 2.002003\n-0.022755 0.038126 8.250153\nH C\n20 12\ndirect\n0.819574 0.911901 0.444015 H\n0.830010 0.515207 0.826609 H\n0.169988 0.484794 0.173390 H\n0.917188 0.772427 0.662707 H\n0.082810 0.227573 0.337292 H\n0.586894 0.382226 0.322608 H\n0.215069 0.635030 0.884262 H\n0.784929 0.364970 0.115737 H\n0.211164 0.198464 0.974976 H\n0.788834 0.801537 0.025024 H\n0.413104 0.617774 0.677391 H\n0.447470 0.752917 0.092090 H\n0.570089 0.211195 0.612787 H\n0.429909 0.788806 0.387212 H\n0.478583 0.952654 0.776875 H\n0.521416 0.047347 0.223124 H\n0.988470 0.105547 0.763533 H\n0.011528 0.894454 0.236466 H\n0.180424 0.088100 0.555984 H\n0.552528 0.247084 0.907909 H\n0.254535 0.540421 0.784815 C\n0.745464 0.459579 0.215184 C\n0.361797 0.274739 0.860280 C\n0.638201 0.725261 0.139719 C\n0.407715 0.144618 0.722294 C\n0.029202 0.448263 0.581275 C\n0.142763 0.185622 0.652681 C\n0.857235 0.814379 0.347318 C\n0.970797 0.551738 0.418724 C\n0.009689 0.418746 0.285462 C\n0.592283 0.855383 0.277705 C\n0.990309 0.581254 0.714537 C\n",
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{
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"created_at": "2022-09-04T14:38:47.449559Z",
"updated_at": "2022-09-04T14:38:47.449592Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-116506",
"created_at": "2022-09-04T14:38:49.701316Z",
"updated_at": "2022-09-04T14:38:49.701341Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.185338 -0.012093 2.043935\n9.791844 2.803756 2.043935\n0.037342 0.005218 8.029426\nLi Mn Co O\n8 2 4 14\ndirect\n0.574885 0.574889 0.239354 Li\n0.709514 0.709518 0.629359 Li\n0.855994 0.855998 0.071000 Li\n0.005514 0.005515 0.499837 Li\n0.145509 0.145511 0.923175 Li\n0.282773 0.282775 0.363960 Li\n0.428034 0.428037 0.774507 Li\n0.139836 0.139837 0.435648 Li\n0.000690 0.000690 0.000001 Mn\n0.713753 0.713757 0.152386 Mn\n0.572156 0.572160 0.710925 Co\n0.856441 0.856446 0.569024 Co\n0.285638 0.285640 0.854860 Co\n0.428828 0.428831 0.285118 Co\n0.291860 0.291862 0.613647 O\n0.565071 0.565075 0.964928 O\n0.717331 0.717335 0.373548 O\n0.850708 0.850714 0.811834 O\n0.994668 0.994673 0.242224 O\n0.134307 0.134309 0.686308 O\n0.281261 0.281263 0.098230 O\n0.420719 0.420722 0.525998 O\n0.569704 0.569708 0.481383 O\n0.721353 0.721357 0.897005 O\n0.865134 0.865139 0.325153 O\n0.003441 0.003442 0.761335 O\n0.150936 0.150937 0.170842 O\n0.433896 0.433898 0.038433 O\n",
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{
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"created_at": "2022-09-04T14:37:11.252602Z",
"updated_at": "2022-09-04T14:37:11.252627Z",
"structure_string": "Tl2 In2 Se4\n1.0\n6.479640 0.020550 -1.785679\n-3.754918 5.280791 -1.785679\n-0.010562 -0.020550 6.721181\nTl In Se\n2 2 4\ndirect\n0.250000 0.250000 -0.000000 Tl\n0.750000 0.750000 -0.000000 Tl\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.825979 0.674021 0.500000 Se\n0.325979 0.825979 0.151959 Se\n0.174021 0.325979 0.500000 Se\n0.674021 0.174021 0.848040 Se\n",
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{
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"created_at": "2022-09-04T14:37:34.599686Z",
"updated_at": "2022-09-04T14:37:34.599726Z",
"structure_string": "Ba1 Mg1 Sb4 O8\n1.0\n3.045571 -5.275083 0.000000\n3.045571 5.275083 0.000000\n-0.000000 -0.000000 7.158947\nBa Mg Sb O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.716193 Sb\n0.666667 0.333333 0.716193 Sb\n0.333333 0.666667 0.283808 Sb\n0.666667 0.333333 0.283808 Sb\n0.283206 0.283206 0.697762 O\n0.716793 0.000000 0.697762 O\n0.000000 0.716793 0.697762 O\n0.716793 0.716793 0.302238 O\n0.000000 0.283206 0.302238 O\n0.283206 0.000000 0.302238 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.818290 -0.101559 0.280331\n0.134111 5.686074 0.670894\n-0.006269 -0.127525 14.326188\nLi Mn Co O\n8 2 4 14\ndirect\n0.000059 0.503637 -0.000097 Li\n0.581613 0.782375 0.836888 Li\n0.146499 0.063418 0.707133 Li\n0.425703 0.219451 0.148574 Li\n0.854526 0.927145 0.290961 Li\n0.283488 0.638816 0.432933 Li\n0.709583 0.363982 0.580490 Li\n0.145529 0.580795 0.708722 Li\n-0.001143 -0.000209 0.002422 Mn\n0.574984 0.292670 0.850352 Mn\n0.856589 0.429400 0.286823 Co\n0.427616 0.715902 0.144886 Co\n0.713387 0.849690 0.572943 Co\n0.285509 0.141962 0.428860 Co\n0.789562 0.371606 0.421217 O\n0.496350 0.766513 0.006991 O\n0.066644 0.047808 0.866436 O\n0.636840 0.311655 0.726492 O\n0.924941 0.488665 0.149741 O\n0.354068 0.199672 0.291381 O\n0.782933 0.913365 0.433518 O\n0.215073 0.628199 0.569067 O\n0.500643 0.231454 0.999314 O\n0.070585 0.510883 0.859573 O\n0.648469 0.824472 0.702946 O\n0.930827 0.950456 0.138949 O\n0.360327 0.660316 0.279795 O\n0.218789 0.085880 0.562689 O\n",
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{
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"updated_at": "2022-09-04T14:38:44.932868Z",
"structure_string": "La2 Fe4 Pb2 O12\n1.0\n5.486014 -0.000000 0.000000\n0.000000 5.453506 0.000000\n-0.000000 -0.000000 7.687373\nLa Fe Pb O\n2 4 2 12\ndirect\n0.998925 0.749961 0.500000 La\n0.498925 0.250040 -0.000000 La\n0.000049 0.250010 0.749921 Fe\n0.500049 0.749991 0.249921 Fe\n0.000049 0.250010 0.250079 Fe\n0.500049 0.749991 0.750079 Fe\n0.501086 0.249938 0.500000 Pb\n0.001086 0.750062 -0.000000 Pb\n0.031345 0.250002 0.500000 O\n0.457562 0.750003 0.500000 O\n0.252655 0.497315 0.769058 O\n0.252836 0.002863 0.230919 O\n0.752836 -0.002863 0.269081 O\n0.252655 0.497315 0.230942 O\n0.752836 -0.002863 0.730919 O\n0.752654 0.502685 0.269058 O\n0.531345 0.749999 -0.000000 O\n0.252836 0.002863 0.769081 O\n0.752654 0.502685 0.730942 O\n0.957561 0.249998 -0.000000 O\n",
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}