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{
"id": "jvasp-44492",
"created_at": "2022-09-04T14:37:30.731247Z",
"updated_at": "2022-09-04T14:37:30.731267Z",
"structure_string": "Mn3 Cr2 Co3 O16\n1.0\n5.624928 -0.012678 -0.022173\n-2.823442 4.890179 0.000029\n-0.035792 -0.020590 8.652552\nMn Cr Co O\n3 2 3 16\ndirect\n0.662292 0.831154 0.213826 Mn\n0.831796 0.663108 0.713163 Mn\n0.831790 0.168701 0.713168 Mn\n0.326374 0.663198 0.493126 Cr\n0.659943 0.329982 0.997927 Cr\n0.168801 0.832671 0.208759 Co\n0.168801 0.336148 0.208760 Co\n0.336198 0.168105 0.708354 Co\n0.828208 0.656818 0.098414 O\n0.668955 0.334487 0.597125 O\n0.519766 0.043265 0.839267 O\n0.519768 0.476514 0.839263 O\n0.660598 0.830309 0.597110 O\n0.341250 0.170637 0.100421 O\n0.478455 0.519205 0.340032 O\n0.003701 0.001854 0.316923 O\n0.170588 0.340161 0.598749 O\n0.000976 0.000493 0.820477 O\n0.964117 0.482066 0.840758 O\n0.332308 0.666167 0.098108 O\n0.048067 0.524038 0.334803 O\n0.170590 0.830444 0.598747 O\n0.478459 0.959266 0.340027 O\n0.828210 0.171411 0.098415 O\n",
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{
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"structure_string": "La1 Nd1 Co10\n1.0\n3.932560 0.000000 0.000000\n0.000000 4.999845 -0.000000\n-0.000000 0.000000 8.679056\nLa Nd Co\n1 1 10\ndirect\n0.000000 -0.000020 -0.000000 La\n-0.000000 0.499985 0.500000 Nd\n-0.000000 0.999981 0.331306 Co\n-0.000000 0.499988 0.833915 Co\n-0.000000 0.499988 0.166086 Co\n-0.000000 0.999981 0.668694 Co\n0.500000 -0.000017 0.500000 Co\n0.500000 0.499985 0.000000 Co\n0.500000 0.254426 0.254383 Co\n0.500000 0.745542 0.745617 Co\n0.500000 0.745542 0.254383 Co\n0.500000 0.254426 0.745617 Co\n",
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"volume": 170.64925202598815,
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"spacegroup": 47
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{
"id": "jvasp-80162",
"created_at": "2022-09-04T14:37:05.553673Z",
"updated_at": "2022-09-04T14:37:05.553700Z",
"structure_string": "Zr2 Co1 Pt1\n1.0\n-8.716592 -0.000000 -5.032526\n-5.661342 -1.156274 -0.259322\n-4.247572 2.842470 -2.708043\nZr Co Pt\n2 1 1\ndirect\n0.765151 -0.000001 -0.000000 Zr\n0.234850 -0.000000 -0.000000 Zr\n0.000000 0.000000 0.000000 Co\n0.500001 -0.000001 -0.000000 Pt\n",
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{
"id": "jvasp-51177",
"created_at": "2022-09-04T14:37:04.276373Z",
"updated_at": "2022-09-04T14:37:04.276396Z",
"structure_string": "K1 Fe1 Tc2\n1.0\n0.000000 3.151721 3.151721\n3.151721 -0.000000 3.151721\n3.151721 3.151721 0.000000\nK Fe Tc\n1 1 2\ndirect\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
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{
"id": "jvasp-28467",
"created_at": "2022-09-04T14:37:07.919061Z",
"updated_at": "2022-09-04T14:37:07.919079Z",
"structure_string": "Te4 Mo1 W2 Se2\n1.0\n3.482929 -0.000002 0.000011\n-1.741474 3.016280 -0.000753\n0.004074 0.016359 21.543441\nTe Mo W Se\n4 1 2 2\ndirect\n0.332870 0.665584 0.426619 Te\n0.666609 0.333407 0.590743 Te\n0.666080 0.332773 0.762736 Te\n0.333381 0.666210 0.255435 Te\n0.666464 0.332573 0.341012 Mo\n0.333841 0.667633 0.023153 W\n0.333011 0.666421 0.676767 W\n0.667413 0.334602 -0.052459 Se\n0.666938 0.334002 0.098835 Se\n",
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{
"id": "jvasp-23478",
"created_at": "2022-09-04T14:37:31.672969Z",
"updated_at": "2022-09-04T14:37:31.672988Z",
"structure_string": "Ta6 Pb2 S12\n1.0\n2.908751 -5.038103 -0.000000\n2.908751 5.038103 -0.000000\n-0.000000 -0.000000 14.965326\nTa Pb S\n6 2 12\ndirect\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.666667 0.333333 0.750000 Ta\n0.333333 0.666667 0.250000 Ta\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.662701 0.662701 0.854396 S\n0.662701 0.000000 0.354396 S\n0.337299 0.337299 0.354396 S\n0.337299 0.337299 0.145605 S\n0.000000 0.662701 0.145605 S\n0.662701 0.662701 0.645605 S\n0.662701 0.000000 0.145605 S\n0.337299 0.000000 0.645605 S\n0.000000 0.337299 0.854396 S\n0.000000 0.337299 0.645605 S\n0.337299 0.000000 0.854396 S\n0.000000 0.662701 0.354396 S\n",
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"formula_full": "Ta6 Pb2 S12",
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{
"id": "jvasp-100642",
"created_at": "2022-09-04T14:36:35.368607Z",
"updated_at": "2022-09-04T14:36:35.368631Z",
"structure_string": "Sm1 Er1 Mn4\n1.0\n4.437016 0.000000 2.561712\n1.479005 4.183258 2.561712\n-0.000000 -0.000000 5.123424\nSm Er Mn\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Er\n0.624730 0.624730 0.125808 Mn\n0.624731 0.125809 0.624729 Mn\n0.125808 0.624730 0.624730 Mn\n0.624730 0.624730 0.624729 Mn\n",
"nsites": 6,
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},
{
"id": "jvasp-51245",
"created_at": "2022-09-04T14:36:59.289037Z",
"updated_at": "2022-09-04T14:36:59.289057Z",
"structure_string": "Ba1 Si1 Tc2\n1.0\n0.000000 3.403740 3.403740\n3.403740 0.000000 3.403740\n3.403740 3.403740 -0.000000\nBa Si Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Si\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n",
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],
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},
{
"id": "jvasp-90041",
"created_at": "2022-09-04T14:35:50.060697Z",
"updated_at": "2022-09-04T14:35:50.060720Z",
"structure_string": "Zr6 Ga2 Fe1\n1.0\n0.000000 0.000000 -3.359429\n-3.911308 -6.774583 0.000000\n-3.911166 6.774502 0.000000\nZr Ga Fe\n6 2 1\ndirect\n0.000000 0.248486 0.000000 Zr\n0.000000 0.751502 0.751520 Zr\n0.000000 0.999983 0.248481 Zr\n0.500000 0.596099 0.000000 Zr\n0.500000 0.403872 0.403885 Zr\n0.500000 -0.000013 0.596115 Zr\n0.000000 0.333315 0.666658 Ga\n0.000000 0.666656 0.333343 Ga\n0.500000 0.000003 0.000000 Fe\n",
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{
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"created_at": "2022-09-04T14:35:41.150969Z",
"updated_at": "2022-09-04T14:35:41.150983Z",
"structure_string": "Zn2 H24 C4 N12 Cl8\n1.0\n6.849101 -0.168503 -1.610811\n1.248682 12.220507 -0.770913\n-0.018250 0.065668 6.968172\nZn H C N Cl\n2 24 4 12 8\ndirect\n0.828641 0.775511 0.929695 Zn\n0.171359 0.224489 0.070306 Zn\n0.964702 0.188182 0.628798 H\n0.054627 0.118474 0.435736 H\n0.945372 0.881527 0.564264 H\n0.830419 0.042113 0.165629 H\n0.169580 0.957887 0.834371 H\n0.587654 0.038288 0.181653 H\n0.412345 0.961712 0.818347 H\n0.475676 0.124267 0.440319 H\n0.524324 0.875734 0.559682 H\n0.640059 0.180917 0.640112 H\n0.359940 0.819084 0.359888 H\n0.035298 0.811819 0.371202 H\n0.845443 0.335224 0.346016 H\n0.974230 0.485285 0.252289 H\n0.025769 0.514716 0.747711 H\n0.175010 0.392576 0.800009 H\n0.490628 0.611092 0.186217 H\n0.824989 0.607424 0.199991 H\n0.394681 0.496609 0.258752 H\n0.605318 0.503392 0.741248 H\n0.597059 0.340168 0.350286 H\n0.402940 0.659832 0.649714 H\n0.509371 0.388909 0.813784 H\n0.154557 0.664777 0.653985 H\n0.688173 0.480052 0.266968 C\n0.311827 0.519949 0.733033 C\n0.240499 0.882644 0.586595 C\n0.759501 0.117356 0.413405 C\n0.726287 0.057089 0.245507 N\n0.273712 0.942912 0.754493 N\n0.939586 0.147347 0.494950 N\n0.610803 0.150941 0.498005 N\n0.060413 0.852654 0.505051 N\n0.389197 0.849060 0.501995 N\n0.160927 0.473505 0.771855 N\n0.714976 0.379316 0.338135 N\n0.488880 0.466057 0.762765 N\n0.511119 0.533943 0.237236 N\n0.839072 0.526496 0.228146 N\n0.285024 0.620684 0.661865 N\n0.623996 0.781021 0.138941 Cl\n0.768014 0.652656 0.667646 Cl\n0.231985 0.347345 0.332354 Cl\n0.132562 0.719583 0.105820 Cl\n0.867438 0.280417 0.894180 Cl\n0.786249 0.948049 0.804259 Cl\n0.213750 0.051951 0.195742 Cl\n0.376004 0.218980 0.861060 Cl\n",
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{
"id": "jvasp-10472",
"created_at": "2022-09-04T14:37:06.265243Z",
"updated_at": "2022-09-04T14:37:06.265270Z",
"structure_string": "Na2 Si4 N6\n1.0\n4.912568 -0.000000 0.000000\n-0.000000 4.783947 -2.730841\n0.000000 -0.004063 5.508504\nNa Si N\n2 4 6\ndirect\n0.485371 0.663156 0.663155 Na\n0.985371 0.336846 0.336845 Na\n0.011949 0.016159 0.675210 Si\n0.511949 0.983843 0.324790 Si\n0.511949 0.324791 0.983841 Si\n0.011949 0.675211 0.016159 Si\n0.967682 0.771040 0.771039 N\n0.467682 0.228961 0.228961 N\n0.360025 0.655888 0.092549 N\n0.360025 0.092549 0.655887 N\n0.860025 0.907452 0.344113 N\n0.860025 0.344113 0.907451 N\n",
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"volume": 129.40340671903627,
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},
{
"id": "jvasp-101367",
"created_at": "2022-09-04T14:37:46.921563Z",
"updated_at": "2022-09-04T14:37:46.921593Z",
"structure_string": "Sr4 C4 N8\n1.0\n3.949493 0.000000 0.000000\n0.000000 5.433069 0.000000\n0.000000 0.000000 12.451384\nSr C N\n4 4 8\ndirect\n0.250000 0.392061 0.631118 Sr\n0.749999 0.607939 0.368882 Sr\n0.749999 0.892062 0.868882 Sr\n0.250000 0.107939 0.131118 Sr\n0.749999 0.891081 0.622095 C\n0.250000 0.391081 0.877904 C\n0.749999 0.608919 0.122095 C\n0.250000 0.108919 0.377905 C\n0.250000 0.309653 0.424460 N\n0.250000 0.190347 0.924460 N\n0.749999 0.690347 0.575540 N\n0.749999 0.809653 0.075540 N\n0.250000 0.912032 0.327700 N\n0.749999 0.087968 0.672299 N\n0.749999 0.412032 0.172300 N\n0.250000 0.587968 0.827700 N\n",
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]
}