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"results": [
{
"id": "jvasp-112516",
"created_at": "2022-09-04T14:38:40.849089Z",
"updated_at": "2022-09-04T14:38:40.849111Z",
"structure_string": "Dy2 Br6 O12\n1.0\n6.238788 -0.000000 0.000000\n-0.000000 4.965534 1.303851\n0.000000 -1.304994 11.409840\nDy Br O\n2 6 12\ndirect\n0.613568 0.500000 0.750000 Dy\n0.386433 0.500000 0.250000 Dy\n0.044525 0.000001 0.750000 Br\n0.955475 0.000000 0.250000 Br\n0.200366 0.706601 0.527473 Br\n0.799634 0.293399 0.472527 Br\n0.200366 0.293400 0.972527 Br\n0.799634 0.706600 0.027473 Br\n0.646109 0.244684 0.347166 O\n0.353891 0.755316 0.652833 O\n0.380531 0.306919 0.087637 O\n0.619469 0.693081 0.912363 O\n0.380531 0.693081 0.412363 O\n0.126456 0.209986 0.319192 O\n0.126456 0.790014 0.180807 O\n0.873544 0.209986 0.819192 O\n0.353891 0.244684 0.847166 O\n0.873544 0.790014 0.680807 O\n0.619469 0.306919 0.587637 O\n0.646109 0.755316 0.152834 O\n",
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{
"id": "jvasp-112900",
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"updated_at": "2022-09-04T14:38:43.035434Z",
"structure_string": "Mn4 Pb4 O12\n1.0\n5.641931 -0.000000 0.000000\n0.000000 4.918855 0.498944\n-0.000000 0.214863 10.156570\nMn Pb O\n4 4 12\ndirect\n0.874561 0.250000 -0.000000 Mn\n0.125439 0.749999 -0.000000 Mn\n0.375421 0.250000 -0.000000 Mn\n0.624579 0.749999 -0.000000 Mn\n0.224798 0.531737 0.365740 Pb\n0.224798 0.968261 0.634259 Pb\n0.775201 0.468261 0.634260 Pb\n0.775201 0.031738 0.365740 Pb\n0.193777 0.027008 0.404009 O\n0.193777 0.472991 0.595991 O\n0.875781 0.893224 0.099058 O\n0.875781 0.606774 0.900942 O\n0.124219 0.106774 0.900942 O\n0.375477 0.892371 0.098525 O\n0.624523 0.107627 0.901475 O\n0.624523 0.392372 0.098525 O\n0.806223 0.527008 0.404009 O\n0.375477 0.607627 0.901474 O\n0.124219 0.393225 0.099058 O\n0.806223 0.972990 0.595991 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.0711089191167727,
"volume": 281.25866977610315,
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"formula_full": "Mn4 Pb4 O12",
"formula_reduced": "MnPbO3",
"formula_anonymous": "ABC3",
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"spacegroup": 13
},
{
"id": "jvasp-112904",
"created_at": "2022-09-04T14:38:44.577805Z",
"updated_at": "2022-09-04T14:38:44.577835Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.658455 0.000171 -1.621070\n-0.000225 5.808450 0.000013\n0.037539 -0.000016 5.090560\nLi Mn Co O\n4 2 2 8\ndirect\n0.500004 0.004591 0.500003 Li\n-0.000004 0.245415 0.499998 Li\n0.500001 0.498299 0.500003 Li\n0.000002 0.751697 0.499998 Li\n-0.000001 0.498107 -0.000001 Mn\n0.500001 0.751890 0.000002 Mn\n0.499994 0.233852 -0.000000 Co\n0.000006 0.016148 -0.000000 Co\n0.735980 0.979677 0.242585 O\n0.235979 0.270322 0.242588 O\n0.264025 0.979675 0.757412 O\n0.764022 0.270320 0.757418 O\n0.750149 0.512225 0.221148 O\n0.250158 0.737776 0.221150 O\n0.249853 0.512226 0.778851 O\n0.749848 0.737776 0.778851 O\n",
"nsites": 16,
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"elements": [
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"Co",
"O"
],
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"density": 4.6114300233089365,
"density_atomic": 0.1158615241105737,
"volume": 138.0958875073163,
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"formula_full": "Li4 Mn2 Co2 O8",
"formula_reduced": "Li2MnCoO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 13
},
{
"id": "jvasp-120564",
"created_at": "2022-09-04T14:38:45.916433Z",
"updated_at": "2022-09-04T14:38:45.916461Z",
"structure_string": "Ti2 Al2 W4 O16\n1.0\n5.563548 -0.000000 0.000000\n-0.000000 4.383942 2.254647\n0.000000 -0.216014 10.236605\nTi Al W O\n2 2 4 16\ndirect\n0.374152 0.500000 0.750000 Ti\n0.625848 0.500000 0.250000 Ti\n0.648208 0.000001 0.750000 Al\n0.351792 0.000000 0.250000 Al\n0.134127 0.222537 0.505699 W\n0.134127 0.777463 0.994301 W\n0.865873 0.777463 0.494301 W\n0.865873 0.222537 0.005699 W\n0.123182 0.295845 0.115919 O\n0.876818 0.704156 0.884082 O\n0.354735 0.212278 0.362655 O\n0.354735 0.787722 0.137346 O\n0.645266 0.787723 0.637346 O\n0.645266 0.212278 0.862655 O\n0.141734 0.220543 0.871444 O\n0.609982 0.731260 0.365267 O\n0.858266 0.779458 0.128557 O\n0.858266 0.220542 0.371444 O\n0.876818 0.295845 0.615919 O\n0.609982 0.268740 0.134734 O\n0.390019 0.268741 0.634734 O\n0.390019 0.731260 0.865267 O\n0.141734 0.779458 0.628557 O\n0.123182 0.704155 0.384082 O\n",
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],
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"density_atomic": 0.09509348443564608,
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"formula_full": "Ti2 Al2 W4 O16",
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"formula_anonymous": "ABC2D8",
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{
"id": "jvasp-120616",
"created_at": "2022-09-04T14:38:47.861111Z",
"updated_at": "2022-09-04T14:38:47.861137Z",
"structure_string": "Li2 Yb2 W4 O16\n1.0\n5.965170 0.000000 0.000000\n-0.000000 4.519126 2.096212\n-0.000000 0.023245 10.989982\nYb Li W O\n2 2 4 16\ndirect\n0.667351 0.000001 0.750000 Yb\n0.332649 0.000000 0.250000 Yb\n0.274540 0.500001 0.750000 Li\n0.725460 0.500001 0.250000 Li\n0.179160 0.242368 0.510942 W\n0.820840 0.757634 0.489057 W\n0.179160 0.757634 0.989057 W\n0.820840 0.242368 0.010942 W\n0.107994 0.657947 0.402868 O\n0.892006 0.342055 0.597132 O\n0.909658 0.837631 0.108126 O\n0.090342 0.162371 0.891873 O\n0.909658 0.162371 0.391874 O\n0.090342 0.837631 0.608126 O\n0.643719 0.276312 0.135956 O\n0.375796 0.772122 0.110194 O\n0.643719 0.723689 0.364043 O\n0.356281 0.276313 0.635956 O\n0.892006 0.657948 0.902868 O\n0.624204 0.227880 0.889805 O\n0.375796 0.227880 0.389806 O\n0.624204 0.772122 0.610194 O\n0.356281 0.723690 0.864043 O\n0.107994 0.342054 0.097132 O\n",
"nsites": 24,
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],
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"density": 7.581530710870839,
"density_atomic": 0.08108924947256635,
"volume": 295.97018292936036,
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"formula_full": "Li2 Yb2 W4 O16",
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"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-117101",
"created_at": "2022-09-04T14:38:48.255679Z",
"updated_at": "2022-09-04T14:38:48.255695Z",
"structure_string": "Li2 Fe2 F8\n1.0\n4.958960 0.070050 -0.470879\n-0.123305 4.651986 -0.041033\n0.410041 0.048525 5.508742\nLi Fe F\n2 2 8\ndirect\n0.750049 0.000178 0.651726 Li\n0.249951 -0.000179 0.348274 Li\n0.751874 0.496541 0.174780 Fe\n0.248125 0.503459 0.825220 Fe\n0.585920 0.237346 0.382550 F\n0.077250 0.274142 0.110697 F\n0.084270 0.237646 0.615848 F\n0.574803 0.274465 0.888261 F\n0.425195 0.725534 0.111738 F\n0.915729 0.762354 0.384152 F\n0.922749 0.725858 0.889303 F\n0.414079 0.762654 0.617450 F\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.09372178339605897,
"volume": 128.03853666856924,
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"formula_full": "Li2 Fe2 F8",
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{
"id": "jvasp-119288",
"created_at": "2022-09-04T14:38:50.310579Z",
"updated_at": "2022-09-04T14:38:50.310606Z",
"structure_string": "Li2 Ga2 W4 O16\n1.0\n5.700089 -0.000000 0.000000\n0.000000 4.934866 0.060166\n-0.000000 -0.059608 9.320844\nLi Ga W O\n2 2 4 16\ndirect\n0.341075 0.250000 0.500000 Li\n0.658925 0.750000 0.500000 Li\n0.331656 0.250000 0.000000 Ga\n0.668344 0.750001 0.000000 Ga\n0.181913 0.755090 0.748375 W\n0.181913 0.744911 0.251626 W\n0.818088 0.255090 0.748374 W\n0.818088 0.244910 0.251625 W\n0.380125 0.899963 0.626309 O\n0.380125 0.600038 0.373691 O\n0.898478 0.563117 0.350603 O\n0.619875 0.100038 0.373691 O\n0.617912 0.089845 0.885543 O\n0.617912 0.410154 0.114456 O\n0.382089 0.910155 0.114457 O\n0.882463 0.926088 0.131038 O\n0.101522 0.436884 0.649397 O\n0.882463 0.573912 0.868963 O\n0.898478 0.936884 0.649397 O\n0.117537 0.426088 0.131037 O\n0.117537 0.073912 0.868962 O\n0.382089 0.589846 0.885543 O\n0.619875 0.399962 0.626309 O\n0.101522 0.063116 0.350603 O\n",
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"formula_full": "Li2 Ga2 W4 O16",
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{
"id": "jvasp-111744",
"created_at": "2022-09-04T14:38:52.691406Z",
"updated_at": "2022-09-04T14:38:52.691422Z",
"structure_string": "Li2 Eu2 W4 O16\n1.0\n5.879689 0.000000 0.000000\n0.000000 4.643190 1.938515\n0.000000 -0.068430 10.958898\nLi Eu W O\n2 2 4 16\ndirect\n0.756680 -0.000000 0.750000 Li\n0.243320 -0.000000 0.250000 Li\n0.298548 0.500000 0.750000 Eu\n0.701452 0.500000 0.250000 Eu\n0.818623 0.733972 0.520000 W\n0.181377 0.266028 0.480001 W\n0.818623 0.266028 0.980001 W\n0.181377 0.733972 0.020000 W\n0.367924 0.222761 0.359042 O\n0.632076 0.777239 0.640959 O\n0.075688 0.640514 0.383981 O\n0.924312 0.359486 0.616020 O\n0.075688 0.359486 0.116020 O\n0.924312 0.640514 0.883981 O\n0.622130 0.707010 0.398944 O\n0.110491 0.862043 0.593056 O\n0.622130 0.292990 0.101057 O\n0.377870 0.707010 0.898944 O\n0.632076 0.222761 0.859042 O\n0.889509 0.137957 0.406945 O\n0.110491 0.137957 0.906945 O\n0.889509 0.862043 0.093056 O\n0.377870 0.292990 0.601057 O\n0.367924 0.777239 0.140959 O\n",
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],
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{
"id": "jvasp-121202",
"created_at": "2022-09-04T14:38:55.388163Z",
"updated_at": "2022-09-04T14:38:55.388190Z",
"structure_string": "Li2 Te1\n1.0\n5.153716 0.919103 -0.362168\n-1.782297 -3.108158 -0.211554\n-1.363123 -5.154806 -4.604366\nLi Te\n2 1\ndirect\n0.782202 0.739286 0.727922 Li\n0.457733 0.459219 0.354602 Li\n0.120049 0.099374 0.041261 Te\n",
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"spacegroup": 12
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{
"id": "jvasp-122112",
"created_at": "2022-09-04T14:38:55.382927Z",
"updated_at": "2022-09-04T14:38:55.382954Z",
"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n",
"nsites": 13,
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],
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"volume": 339.181381305483,
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},
{
"id": "jvasp-123726",
"created_at": "2022-09-04T14:38:55.342001Z",
"updated_at": "2022-09-04T14:38:55.342024Z",
"structure_string": "Zn1 Se2\n1.0\n2.181022 -3.468351 -0.668408\n1.913170 3.313707 -0.000000\n-0.840306 0.485151 5.195433\nZn Se\n1 2\ndirect\n-0.000000 0.333274 0.166667 Zn\n0.786012 0.726369 0.426765 Se\n0.213986 -0.059645 0.906567 Se\n",
"nsites": 3,
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"elements": [
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],
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"volume": 69.54171468200565,
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"spacegroup": 12
},
{
"id": "jvasp-121296",
"created_at": "2022-09-04T14:38:55.374747Z",
"updated_at": "2022-09-04T14:38:55.374764Z",
"structure_string": "Li1 Au1 F4\n1.0\n3.838980 0.046342 -0.215435\n0.056449 3.847567 -0.207505\n0.185282 0.165671 4.918281\nLi Au F\n1 1 4\ndirect\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.377185 0.884488 0.259065 F\n0.883906 0.378118 0.258085 F\n0.622815 0.115514 0.740936 F\n0.116094 0.621883 0.741916 F\n",
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],
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"formula_anonymous": "ABC4",
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"spacegroup": 12
}
]
}