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{
"id": "jvasp-116734",
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"structure_string": "Zn4 Cr4 N8\n1.0\n5.529221 -0.000000 0.000000\n0.000000 6.354600 0.000000\n-0.000000 -0.000000 5.212939\nZn Cr N\n4 4 8\ndirect\n0.588752 0.877983 0.001320 Zn\n0.411248 0.122017 0.501320 Zn\n0.911248 0.377983 0.501320 Zn\n0.088752 0.622017 0.001320 Zn\n0.575184 0.373311 0.998447 Cr\n0.424816 0.626689 0.498447 Cr\n0.924815 0.873311 0.498447 Cr\n0.075184 0.126689 0.998447 Cr\n0.566195 0.389219 0.355642 N\n0.433805 0.610781 0.855643 N\n0.933805 0.889219 0.855643 N\n0.066195 0.110781 0.355642 N\n0.602312 0.860126 0.394591 N\n0.397688 0.139874 0.894591 N\n0.897688 0.360126 0.894591 N\n0.102312 0.639874 0.394591 N\n",
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{
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"structure_string": "In2 I1\n1.0\n6.589651 0.000000 1.376648\n0.000000 3.742955 0.000000\n1.454441 0.000000 5.752149\nIn I\n2 1\ndirect\n-0.056849 0.000000 -0.047132 In\n-0.009605 0.000000 0.429349 In\n0.466453 0.000000 0.017783 I\n",
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{
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"structure_string": "Pd1 F3\n1.0\n4.912772 0.758892 -0.880808\n-2.469913 -3.881112 0.011285\n0.293209 1.169233 -2.984520\nPd F\n1 3\ndirect\n0.804612 0.219175 0.598482 Pd\n0.930865 0.036512 0.945026 F\n0.678363 0.401846 0.251947 F\n0.304596 0.719197 0.598523 F\n",
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{
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"updated_at": "2022-09-04T14:38:44.885444Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n5.960996 0.000000 0.000000\n-2.980498 5.162374 0.000000\n-0.000000 -0.000000 15.671561\nK Mo Br O\n6 4 2 14\ndirect\n0.666667 0.333333 0.457975 K\n0.333333 0.666666 0.542025 K\n0.333333 0.666666 0.957975 K\n0.666667 0.333333 0.750000 K\n0.666667 0.333333 0.042025 K\n0.333333 0.666666 0.250000 K\n0.000000 0.000000 0.870219 Mo\n0.000000 0.000000 0.629781 Mo\n0.000000 0.000000 0.370219 Mo\n0.000000 0.000000 0.129781 Mo\n0.666667 0.333333 0.250000 Br\n0.333333 0.666666 0.750000 Br\n0.317280 0.158641 0.908962 O\n0.841359 0.682719 0.591037 O\n0.158641 0.317280 0.091038 O\n0.000000 0.000000 0.750000 O\n0.682720 0.841359 0.091038 O\n0.682720 0.841359 0.408962 O\n0.841360 0.158641 0.591037 O\n0.158640 0.841359 0.091038 O\n0.158641 0.317280 0.408962 O\n0.841359 0.682719 0.908962 O\n0.158640 0.841359 0.408962 O\n0.000000 0.000000 0.250000 O\n0.317280 0.158641 0.591037 O\n0.841360 0.158641 0.908962 O\n",
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{
"id": "jvasp-116748",
"created_at": "2022-09-04T14:38:44.884794Z",
"updated_at": "2022-09-04T14:38:44.884810Z",
"structure_string": "La1 Mg2 Cr3 S8\n1.0\n6.419141 0.001875 3.965031\n2.215232 6.023481 3.968186\n0.006548 0.001890 7.545143\nLa Mg Cr S\n1 2 3 8\ndirect\n0.500004 0.500014 0.499987 La\n0.875883 0.875894 0.875896 Mg\n0.124112 0.124107 0.124101 Mg\n0.499999 0.499993 0.000002 Cr\n0.000001 0.499997 0.500003 Cr\n0.500000 0.999995 0.500007 Cr\n0.737695 0.737639 0.737703 S\n0.237412 0.237362 0.723475 S\n0.237370 0.723473 0.237360 S\n0.723476 0.237363 0.237409 S\n0.762627 0.276527 0.762633 S\n0.276521 0.762633 0.762596 S\n0.262304 0.262347 0.262309 S\n0.762600 0.762646 0.276524 S\n",
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{
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"created_at": "2022-09-04T14:38:44.884480Z",
"updated_at": "2022-09-04T14:38:44.884506Z",
"structure_string": "Fe3 Co3 Sb2 O16\n1.0\n5.668147 -0.000688 0.094492\n2.850173 4.899428 0.094492\n-0.154641 -0.088931 9.177853\nFe Co Sb O\n3 3 2 16\ndirect\n0.167813 0.167813 0.214082 Fe\n0.336665 0.831338 0.714045 Fe\n0.831338 0.336665 0.714045 Fe\n0.169136 0.662818 0.213751 Co\n0.662819 0.169136 0.213751 Co\n0.831275 0.831275 0.714134 Co\n0.336210 0.336210 0.490168 Sb\n0.670476 0.670476 0.993926 Sb\n0.319238 0.843191 0.102571 O\n0.666235 0.666235 0.610269 O\n0.969188 0.514238 0.832570 O\n0.514238 0.969188 0.832570 O\n0.162125 0.162125 0.602908 O\n0.846306 0.846305 0.098244 O\n0.485702 0.029710 0.332999 O\n0.001882 0.001882 0.311306 O\n0.685356 0.160519 0.601824 O\n0.000671 0.000671 0.812118 O\n0.516087 0.516087 0.834962 O\n0.331390 0.331390 0.110809 O\n0.485371 0.485371 0.331549 O\n0.160519 0.685356 0.601824 O\n0.029709 0.485702 0.332999 O\n0.843191 0.319238 0.102571 O\n",
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{
"id": "jvasp-106880",
"created_at": "2022-09-04T14:38:44.883865Z",
"updated_at": "2022-09-04T14:38:44.883893Z",
"structure_string": "Ca1 V2 O6\n1.0\n3.647205 -0.000000 -0.000000\n-1.823602 4.723009 -1.237562\n-0.000000 -0.129535 7.193991\nCa V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.221429 0.442858 0.664378 V\n0.778571 0.557143 0.335622 V\n0.734422 0.468846 0.594134 O\n0.265578 0.531155 0.405865 O\n0.349358 0.698716 0.878011 O\n0.065491 0.130982 0.713687 O\n0.650642 0.301285 0.121988 O\n0.934509 0.869019 0.286313 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-112111",
"created_at": "2022-09-04T14:38:44.881469Z",
"updated_at": "2022-09-04T14:38:44.881493Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n3.881581 -0.258476 -0.332909\n-1.450868 4.498845 -0.149969\n-0.396934 0.036899 8.252537\nZn H C O\n1 6 5 4\ndirect\n0.346420 0.918027 0.264549 Zn\n0.334931 0.537337 0.650463 H\n0.884621 0.523288 0.573829 H\n0.040895 0.083952 0.819466 H\n0.243745 0.624990 0.938874 H\n0.597290 0.087643 0.743864 H\n0.805756 0.628713 0.866918 H\n0.004043 0.161771 0.482120 C\n0.042497 0.383270 0.622742 C\n0.892889 0.232511 0.775004 C\n0.949449 0.475214 0.909947 C\n0.809396 0.365927 0.068539 C\n0.260105 0.235280 0.392572 O\n0.715821 0.914355 0.455749 O\n0.580404 0.091228 0.069359 O\n0.906223 0.550870 0.194809 O\n",
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{
"id": "jvasp-111951",
"created_at": "2022-09-04T14:38:44.876342Z",
"updated_at": "2022-09-04T14:38:44.876361Z",
"structure_string": "Li3 Fe4 O8\n1.0\n5.617249 -0.000271 0.003688\n-2.810146 3.978083 2.798470\n-0.002893 -0.087237 5.757201\nLi Fe O\n3 4 8\ndirect\n-0.000000 0.499999 0.500000 Li\n0.500000 0.499999 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n-0.000001 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.242538 0.979407 0.783658 O\n0.263064 0.526195 0.216343 O\n0.241242 0.482413 0.776346 O\n0.263062 0.020600 0.216338 O\n0.736937 0.979398 0.783663 O\n0.758758 0.517586 0.223655 O\n0.736935 0.473803 0.783658 O\n0.757462 0.020592 0.216343 O\n",
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"created_at": "2022-09-04T14:38:44.875682Z",
"updated_at": "2022-09-04T14:38:44.875699Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729872 0.081246 0.214557\n0.671894 4.112983 0.465256\n0.130049 0.031588 6.480625\nCd H C O\n1 2 3 4\ndirect\n0.367168 0.723718 0.508949 Cd\n0.748006 0.937973 0.959621 H\n0.185389 0.919244 0.033329 H\n-0.005302 0.314402 0.805349 C\n0.766112 0.225301 0.200238 C\n0.934072 0.093641 0.000680 C\n0.545604 0.493984 0.200651 O\n0.839744 0.032462 0.368421 O\n0.797180 0.592829 0.764000 O\n0.263003 0.209926 0.679741 O\n",
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{
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"updated_at": "2022-09-04T14:38:44.874591Z",
"structure_string": "Pm2 S2\n1.0\n3.217727 -0.701066 -6.604059\n-0.807798 3.192604 -6.604059\n0.678102 0.701066 7.314885\nPm S\n2 2\ndirect\n0.344430 0.344430 -0.000001 Pm\n0.655570 0.655568 -0.000001 Pm\n0.136820 0.136820 -0.000000 S\n0.863180 0.863178 -0.000002 S\n",
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},
{
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"created_at": "2022-09-04T14:38:44.873635Z",
"updated_at": "2022-09-04T14:38:44.873661Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.812650 0.045363 0.216469\n-2.747493 5.132120 -0.014689\n-0.050221 -0.001415 9.688529\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.341239 0.681674 0.904635 Li\n0.980218 0.992914 0.993731 Li\n0.995097 0.991059 0.485354 Li\n0.680833 0.327257 0.404117 Li\n0.655408 0.832701 0.221632 Mn\n0.830899 0.661910 0.714369 Mn\n0.826368 0.161778 0.716864 Mn\n0.317658 0.637705 0.488142 Nb\n0.657101 0.343862 0.994873 Nb\n0.337928 0.166155 0.714349 Cu\n0.164424 0.831074 0.212582 Cu\n0.162138 0.336931 0.207674 Cu\n0.315226 0.193395 0.066749 O\n0.823717 0.667576 0.098734 O\n0.685800 0.346337 0.615174 O\n0.532549 0.046306 0.834620 O\n0.557206 0.532198 0.841271 O\n0.680984 0.845821 0.608335 O\n0.551864 0.566469 0.355807 O\n0.044174 0.483939 0.359405 O\n0.159146 0.313143 0.599569 O\n0.987821 0.986696 0.805527 O\n0.988361 0.003373 0.296591 O\n0.348139 0.672361 0.120024 O\n0.967059 0.476286 0.828853 O\n0.140548 0.804983 0.587553 O\n0.489614 0.966093 0.342616 O\n0.778493 0.130307 0.088690 O\n",
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}
]
}