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{
"id": "jvasp-85707",
"created_at": "2022-09-04T14:35:53.391288Z",
"updated_at": "2022-09-04T14:35:53.391325Z",
"structure_string": "Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n",
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{
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"structure_string": "K2 Co1 H4 Se2 O10\n1.0\n6.261451 0.017278 -1.757193\n-3.018478 6.748693 -0.859881\n0.061568 -0.002146 5.590242\nK Co H Se O\n2 1 4 2 10\ndirect\n0.678845 0.261918 0.272684 K\n0.321155 0.738081 0.727316 K\n0.000000 0.000000 0.000000 Co\n0.845840 0.607985 0.851348 H\n0.154160 0.392015 0.148652 H\n0.991526 0.689086 0.140624 H\n0.008473 0.310913 0.859376 H\n0.697404 0.774652 0.366992 Se\n0.302596 0.225348 0.633008 Se\n0.577648 0.388518 0.732082 O\n0.422352 0.611482 0.267918 O\n0.116359 0.335239 0.600187 O\n0.883640 0.664760 0.399813 O\n0.729053 0.913590 0.147347 O\n0.746183 0.927102 0.644911 O\n0.270946 0.086409 0.852653 O\n-0.004714 0.711613 0.969130 O\n0.253816 0.072897 0.355089 O\n0.004713 0.288386 0.030869 O\n",
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{
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"updated_at": "2022-09-04T14:36:05.645092Z",
"structure_string": "Ba2 Bi2 O6\n1.0\n7.991195 3.882246 9.522328\n-1.240489 2.819767 2.759150\n-4.992067 -5.586908 -2.491301\nBa Bi O\n2 2 6\ndirect\n0.313929 0.903852 0.029170 Ba\n0.645228 -0.030236 0.960429 Ba\n0.100644 0.624036 0.257690 Bi\n0.812900 0.921599 0.628135 Bi\n0.608556 0.718163 0.156670 O\n0.558196 0.430481 0.473625 O\n0.160195 0.198693 0.578107 O\n0.280072 0.304010 0.623220 O\n0.577187 0.240985 0.621584 O\n0.943093 0.188418 0.671369 O\n",
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"formula_full": "Ba2 Bi2 O6",
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"spacegroup": 1
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{
"id": "jvasp-8571",
"created_at": "2022-09-04T14:37:05.652076Z",
"updated_at": "2022-09-04T14:37:05.652095Z",
"structure_string": "Ag3 S1 I1\n1.0\n4.900979 0.011501 0.011500\n0.011500 4.900979 0.011501\n0.011501 0.011500 4.900979\nAg S I\n3 1 1\ndirect\n0.036413 0.517206 0.381365 Ag\n0.381365 0.036413 0.517206 Ag\n0.517206 0.381365 0.036413 Ag\n0.541054 0.541054 0.541054 S\n0.987961 0.987961 0.987961 I\n",
"nsites": 5,
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{
"id": "jvasp-85710",
"created_at": "2022-09-04T14:36:12.225171Z",
"updated_at": "2022-09-04T14:36:12.225189Z",
"structure_string": "Li2 H2 Pd1\n1.0\n-1.553122 1.553122 5.121365\n1.553122 -1.553122 5.121365\n1.553122 1.553122 -5.121365\nLi H Pd\n2 2 1\ndirect\n0.645960 0.645960 0.000000 Li\n0.354041 0.354041 0.000000 Li\n0.835047 0.835047 0.000000 H\n0.164954 0.164954 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Li2 H2 Pd1",
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{
"id": "jvasp-85711",
"created_at": "2022-09-04T14:36:21.883402Z",
"updated_at": "2022-09-04T14:36:21.883420Z",
"structure_string": "Li2 Al2 P2 H2 O10\n1.0\n2.787375 3.864974 -1.674099\n-3.171860 3.878085 1.491344\n0.003325 -0.004612 7.072909\nLi Al P H O\n2 2 2 2 10\ndirect\n0.249410 0.389907 0.683452 Li\n0.750589 0.610092 0.316547 Li\n0.000000 0.000000 0.000000 Al\n-0.000000 0.000001 0.500000 Al\n0.674373 0.639966 0.732032 P\n0.325626 0.360033 0.267967 P\n0.652172 0.072026 0.150927 H\n0.347827 0.927974 0.849072 H\n0.261740 0.211399 0.104464 O\n0.738259 0.788601 0.895536 O\n0.881400 0.670942 0.610558 O\n0.118599 0.329057 0.389442 O\n0.305646 0.668569 0.162371 O\n0.643506 0.238560 0.430106 O\n0.694353 0.331431 0.837628 O\n0.856914 0.960925 0.224124 O\n0.356493 0.761439 0.569893 O\n0.143085 0.039075 0.775875 O\n",
"nsites": 18,
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"density": 2.9690674607781733,
"density_atomic": 0.11029466162626202,
"volume": 163.1991950888225,
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"formula_full": "Li2 Al2 P2 H2 O10",
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"formula_anonymous": "ABCDE5",
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{
"id": "jvasp-85712",
"created_at": "2022-09-04T14:35:47.487165Z",
"updated_at": "2022-09-04T14:35:47.487188Z",
"structure_string": "Ca2 H4 C2 Cl2 O6\n1.0\n-3.426670 3.668058 3.949487\n3.479022 -3.668058 3.481189\n3.426670 3.668058 -3.949487\nCa H C Cl O\n2 4 2 2 6\ndirect\n0.863983 0.113907 0.249926 Ca\n0.136018 0.886093 0.750074 Ca\n0.816127 0.154236 0.786693 H\n0.632456 0.845764 0.661891 H\n0.183873 0.845764 0.213307 H\n0.367544 0.154236 0.338110 H\n0.394176 0.500000 0.894176 C\n0.605824 0.500000 0.105824 C\n0.237454 0.592152 0.354698 Cl\n0.762547 0.407848 0.645302 Cl\n0.428029 0.730279 0.935670 O\n0.205390 0.269721 0.697749 O\n0.571972 0.269721 0.064330 O\n0.794610 0.730279 0.302251 O\n0.807833 -0.000000 0.807833 O\n0.192168 -0.000000 0.192168 O\n",
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"formula_full": "Ca2 H4 C2 Cl2 O6",
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{
"id": "jvasp-85713",
"created_at": "2022-09-04T14:35:46.022022Z",
"updated_at": "2022-09-04T14:35:46.022047Z",
"structure_string": "Li4 H4 S4\n1.0\n6.077482 0.000000 0.000000\n0.000000 3.903616 0.000000\n0.000000 0.000000 7.803721\nLi H S\n4 4 4\ndirect\n0.250048 0.505375 0.246923 Li\n0.749952 0.505375 0.246923 Li\n0.749952 0.494626 0.746923 Li\n0.250048 0.494626 0.746923 Li\n0.000000 -0.002004 0.935650 H\n0.000000 0.002004 0.435650 H\n0.500000 0.882463 0.502325 H\n0.500000 0.117538 0.002325 H\n0.000000 -0.005963 0.762512 S\n0.000000 0.005963 0.262512 S\n0.500000 0.536456 0.498275 S\n0.500000 0.463545 0.998275 S\n",
"nsites": 12,
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"volume": 185.13669418869625,
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"formula_full": "Li4 H4 S4",
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"spacegroup": 26
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{
"id": "jvasp-85714",
"created_at": "2022-09-04T14:35:55.644104Z",
"updated_at": "2022-09-04T14:35:55.644120Z",
"structure_string": "Sr2 Co1 O3\n1.0\n2.469148 2.517180 -0.487495\n-2.469148 2.517180 0.487495\n-1.085084 0.000000 7.489728\nSr Co O\n2 1 3\ndirect\n0.657983 0.342017 0.816122 Sr\n0.342018 0.657982 0.183878 Sr\n0.000000 -0.000000 0.500000 Co\n0.500000 0.500000 0.500000 O\n0.146313 0.853687 0.792823 O\n0.853688 0.146312 0.207177 O\n",
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"spacegroup": 139
},
{
"id": "jvasp-85715",
"created_at": "2022-09-04T14:38:08.597317Z",
"updated_at": "2022-09-04T14:38:08.597335Z",
"structure_string": "Cd4 P6 Cl2\n1.0\n3.958292 4.547958 -0.768893\n-3.958292 4.547958 0.768893\n-0.011748 0.000000 7.622518\nCd P Cl\n4 6 2\ndirect\n0.897844 0.404907 0.795600 Cd\n0.404907 0.897844 0.704400 Cd\n0.102156 0.595094 0.204400 Cd\n0.595094 0.102156 0.295600 Cd\n0.335292 0.570187 0.530929 P\n0.570187 0.335292 0.969071 P\n0.664708 0.429813 0.469071 P\n0.429813 0.664708 0.030929 P\n0.303324 0.303324 0.750000 P\n0.696676 0.696676 0.250000 P\n0.866340 0.866340 0.750000 Cl\n0.133661 0.133661 0.250000 Cl\n",
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{
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"structure_string": "K2 Al2 H8\n1.0\n-2.672432 2.672432 6.278286\n2.672432 -2.672432 6.278286\n2.672432 2.672432 -6.278286\nK Al H\n2 2 8\ndirect\n0.375000 0.125000 0.250000 K\n0.625000 0.875000 0.749999 K\n0.875000 0.625000 0.250000 Al\n0.125000 0.374999 0.749999 Al\n0.182177 0.599866 0.385827 H\n0.714041 0.796351 0.114172 H\n0.296351 0.682177 0.082310 H\n0.099867 0.214040 0.417689 H\n0.817823 0.400133 0.614172 H\n0.285959 0.203649 0.885827 H\n0.703649 0.317823 0.917689 H\n0.900133 0.785960 0.582310 H\n",
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{
"id": "jvasp-85717",
"created_at": "2022-09-04T14:36:00.997513Z",
"updated_at": "2022-09-04T14:36:00.997523Z",
"structure_string": "Lu2 Nb2 O8\n1.0\n-2.595516 5.415653 2.733565\n2.615620 -5.415653 2.351476\n2.595516 5.415653 -2.733565\nLu Nb O\n2 2 8\ndirect\n0.878195 0.750000 0.628194 Lu\n0.121806 0.250001 0.371805 Lu\n0.359591 0.750000 0.109591 Nb\n0.640410 0.250001 0.890409 Nb\n0.492729 0.708756 0.778557 O\n0.069804 0.791247 0.283974 O\n0.507271 0.291245 0.221443 O\n0.930197 0.208754 0.716025 O\n0.790774 0.672619 0.953914 O\n0.281297 0.827384 0.618156 O\n0.209227 0.327382 0.046086 O\n0.718703 0.172617 0.381844 O\n",
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]
}