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{
"id": "jvasp-25794",
"created_at": "2022-09-04T14:37:39.128261Z",
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"structure_string": "Re4 S2 Cl24\n1.0\n0.000000 8.274335 -0.020070\n10.729669 0.000000 0.000000\n0.000000 -0.735802 -8.410948\nRe S Cl\n4 2 24\ndirect\n0.145954 0.250000 0.386612 Re\n0.645393 0.750000 0.395746 Re\n0.854046 0.750000 0.613389 Re\n0.354607 0.250000 0.604254 Re\n0.821252 0.250000 0.066226 S\n0.178748 0.750000 0.933774 S\n0.409372 0.750000 0.869753 Cl\n0.948215 0.404989 0.337431 Cl\n0.336895 0.075801 0.405403 Cl\n0.806167 0.750000 0.885184 Cl\n0.181773 0.898949 0.085233 Cl\n0.051784 0.595011 0.662569 Cl\n0.378058 0.406108 0.790580 Cl\n0.939110 0.750000 0.343475 Cl\n0.663105 0.575801 0.594597 Cl\n0.060890 0.250000 0.656525 Cl\n0.663105 0.924199 0.594597 Cl\n0.818227 0.398949 0.914767 Cl\n0.590628 0.250000 0.130247 Cl\n0.621941 0.593892 0.209420 Cl\n0.818227 0.101051 0.914767 Cl\n0.336895 0.424199 0.405403 Cl\n0.375805 0.750000 0.438039 Cl\n0.948215 0.095011 0.337431 Cl\n0.378058 0.093892 0.790580 Cl\n0.624195 0.250000 0.561961 Cl\n0.181773 0.601051 0.085233 Cl\n0.621941 0.906108 0.209420 Cl\n0.193833 0.250000 0.114816 Cl\n0.051784 0.904989 0.662569 Cl\n",
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{
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"structure_string": "Ga8 Bi4 O18\n1.0\n5.980379 0.000000 0.000000\n0.000000 7.963963 0.000000\n0.000000 -0.000000 8.435411\nGa Bi O\n8 4 18\ndirect\n0.500000 0.148006 0.664763 Ga\n0.500000 0.851994 0.335237 Ga\n0.500000 0.648006 0.835237 Ga\n0.500000 0.351994 0.164763 Ga\n0.257514 0.500000 0.500000 Ga\n0.742486 0.000000 0.000000 Ga\n0.742486 0.500000 0.500000 Ga\n0.257514 0.000000 0.000000 Ga\n0.000000 0.170121 0.328428 Bi\n0.000000 0.829879 0.671572 Bi\n0.000000 0.670121 0.171572 Bi\n0.000000 0.329879 0.828428 Bi\n0.000000 0.349052 0.565764 O\n0.000000 0.650947 0.434236 O\n0.000000 0.849052 0.934236 O\n0.000000 0.150948 0.065764 O\n0.500000 0.632090 0.407506 O\n0.500000 0.367909 0.592494 O\n0.241505 0.372840 0.291396 O\n0.241505 0.627159 0.708604 O\n0.241505 0.872840 0.208604 O\n0.758496 0.127160 0.791396 O\n0.758496 0.627159 0.708604 O\n0.758496 0.372840 0.291396 O\n0.241505 0.127160 0.791396 O\n0.500000 0.132090 0.092494 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.758496 0.872840 0.208604 O\n0.500000 0.867909 0.907506 O\n",
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{
"id": "jvasp-32178",
"created_at": "2022-09-04T14:37:36.904551Z",
"updated_at": "2022-09-04T14:37:36.904577Z",
"structure_string": "H16 Pt2 N4 Cl4 O4\n1.0\n5.750514 0.000000 -1.674774\n0.000000 6.765941 0.000000\n0.027520 0.000000 8.222376\nH Pt N Cl O\n16 2 4 4 4\ndirect\n0.646873 0.258430 0.441552 H\n0.812276 0.616784 0.718650 H\n0.812276 0.883215 0.218650 H\n0.187723 0.383215 0.281351 H\n0.877332 0.347550 0.080847 H\n0.122667 0.847550 0.419153 H\n0.122667 0.652450 0.919154 H\n0.877332 0.152450 0.580848 H\n0.187723 0.116785 0.781351 H\n0.141290 0.846531 0.630135 H\n0.141290 0.653469 0.130134 H\n0.858710 0.153469 0.369866 H\n0.646873 0.241570 0.941552 H\n0.353126 0.741570 0.558449 H\n0.858710 0.346531 0.869866 H\n0.353126 0.758429 0.058449 H\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.177099 0.733986 0.031523 N\n0.177099 0.766014 0.531523 N\n0.822900 0.233986 0.468477 N\n0.822900 0.266014 0.968478 N\n0.349749 0.334455 0.621287 Cl\n0.650250 0.834455 0.878714 Cl\n0.650250 0.665544 0.378714 Cl\n0.349749 0.165545 0.121287 Cl\n0.055368 0.473937 0.267872 O\n0.944632 0.973937 0.232129 O\n0.944632 0.526062 0.732129 O\n0.055368 0.026062 0.767872 O\n",
"nsites": 30,
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"formula_full": "H16 Pt2 N4 Cl4 O4",
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{
"id": "jvasp-23961",
"created_at": "2022-09-04T14:37:41.485986Z",
"updated_at": "2022-09-04T14:37:41.486008Z",
"structure_string": "Rb6 Mg6 H18\n1.0\n2.945506 -5.101767 -0.000000\n2.945506 5.101767 0.000000\n0.000000 -0.000000 14.293744\nRb Mg H\n6 6 18\ndirect\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666668 0.333333 0.596035 Rb\n0.333333 0.666668 0.096036 Rb\n0.333333 0.666668 0.403964 Rb\n0.666668 0.333333 0.903964 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.346166 Mg\n0.333333 0.666668 0.653834 Mg\n0.666668 0.333333 0.153834 Mg\n0.333333 0.666668 0.846166 Mg\n0.166069 0.833932 0.579846 H\n0.833932 0.166069 0.420154 H\n0.166069 0.833932 0.920154 H\n0.667862 0.833932 0.920154 H\n0.833932 0.667862 0.420154 H\n0.667862 0.833932 0.579846 H\n0.166069 0.332139 0.920154 H\n0.833932 0.166069 0.079846 H\n0.477255 0.522746 0.750000 H\n0.332139 0.166069 0.079846 H\n0.477255 0.954511 0.750000 H\n0.954511 0.477255 0.250000 H\n0.522746 0.477255 0.250000 H\n0.332139 0.166069 0.420154 H\n0.045490 0.522746 0.750000 H\n0.522746 0.045490 0.250000 H\n0.833932 0.667862 0.079846 H\n0.166069 0.332139 0.579846 H\n",
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{
"id": "jvasp-119367",
"created_at": "2022-09-04T14:38:48.235888Z",
"updated_at": "2022-09-04T14:38:48.235912Z",
"structure_string": "Li6 Co6 Sb2 O16\n1.0\n5.898931 0.018508 0.045183\n-0.002951 5.846345 -0.007123\n0.033449 0.002313 8.313443\nLi Co Sb O\n6 6 2 16\ndirect\n0.500003 0.999988 -0.000002 Li\n-0.000002 0.500012 0.500002 Li\n0.750088 0.250018 0.749966 Li\n0.249912 0.749983 0.250034 Li\n0.250095 0.249992 0.249946 Li\n0.749905 0.750009 0.750053 Li\n0.749997 0.750011 0.249997 Co\n0.249981 0.749986 0.749993 Co\n0.250003 0.249990 0.750002 Co\n0.500000 -0.000002 0.500002 Co\n-0.000000 0.500002 -0.000002 Co\n0.750019 0.250015 0.250007 Co\n0.000002 0.000001 -0.000001 Sb\n0.499998 0.499999 0.500000 Sb\n0.267542 0.250451 0.507815 O\n0.266700 0.749928 0.508302 O\n0.766723 0.249962 0.008317 O\n0.732457 0.749537 0.492218 O\n0.232473 0.249533 0.992189 O\n0.767530 0.750480 0.007778 O\n0.483583 0.500740 0.741073 O\n0.531742 0.000202 0.265912 O\n0.016398 0.999256 0.758930 O\n0.516390 0.499213 0.258931 O\n0.968281 0.499841 0.234090 O\n0.468266 0.999788 0.734094 O\n0.031712 0.500170 0.765904 O\n0.733303 0.250065 0.491693 O\n0.983631 0.000792 0.241066 O\n0.233275 0.750046 0.991687 O\n",
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"formula_full": "Li6 Co6 Sb2 O16",
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{
"id": "jvasp-120547",
"created_at": "2022-09-04T14:38:45.229895Z",
"updated_at": "2022-09-04T14:38:45.229921Z",
"structure_string": "Ba6 Ti3 Fe3 O18\n1.0\n5.681641 -0.000000 0.000000\n-2.840820 4.920446 0.000000\n-0.000000 -0.000000 13.850197\nBa Ti Fe O\n6 3 3 18\ndirect\n0.666667 0.333334 0.589891 Ba\n0.333334 0.666667 0.407680 Ba\n0.333334 0.666667 0.090316 Ba\n0.666667 0.333334 0.903997 Ba\n0.000000 0.000000 0.746983 Ba\n0.000000 0.000000 0.251151 Ba\n0.666667 0.333334 0.154107 Ti\n0.000000 0.000000 0.495715 Ti\n0.000000 0.000000 0.994052 Ti\n0.333334 0.666667 0.840077 Fe\n0.666667 0.333334 0.343082 Fe\n0.333334 0.666667 0.656506 Fe\n0.168492 0.336985 0.917310 O\n0.518508 0.037016 0.255020 O\n0.044133 0.522067 0.750386 O\n0.477934 0.522067 0.750386 O\n0.477934 0.955867 0.750386 O\n0.663016 0.831509 0.917310 O\n0.168492 0.831509 0.917310 O\n0.331067 0.165534 0.080625 O\n0.659349 0.829675 0.584411 O\n0.834467 0.668934 0.080625 O\n0.334053 0.167027 0.421446 O\n0.832973 0.167027 0.421446 O\n0.832973 0.665948 0.421446 O\n0.518508 0.481493 0.255020 O\n0.170326 0.829675 0.584411 O\n0.170326 0.340652 0.584411 O\n0.834466 0.165534 0.080625 O\n0.962984 0.481493 0.255020 O\n",
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{
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"created_at": "2022-09-04T14:38:44.730266Z",
"updated_at": "2022-09-04T14:38:44.730289Z",
"structure_string": "Ce6 Mg23 P1\n1.0\n8.804424 0.000000 5.083237\n2.934808 8.300891 5.083237\n-0.000000 -0.000000 10.166473\nCe Mg P\n6 23 1\ndirect\n0.800538 0.800538 0.199462 Ce\n0.199462 0.800538 0.199462 Ce\n0.800538 0.199462 0.199462 Ce\n0.199462 0.199462 0.800538 Ce\n0.800538 0.199462 0.800539 Ce\n0.199462 0.800538 0.800538 Ce\n0.378992 0.863023 0.378993 Mg\n0.863022 0.378992 0.378993 Mg\n0.378992 0.378992 0.378993 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.378992 0.378992 0.863023 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.621007 0.621008 0.621008 Mg\n0.621007 0.621008 0.136978 Mg\n0.621007 0.136977 0.621008 Mg\n0.500000 0.500000 0.500000 Mg\n0.169878 0.169878 0.169878 Mg\n0.490366 0.169878 0.169879 Mg\n0.169878 0.490366 0.169878 Mg\n0.169878 0.169878 0.490366 Mg\n0.830122 0.830122 0.830122 Mg\n0.509634 0.830122 0.830122 Mg\n0.830121 0.509634 0.830122 Mg\n0.830122 0.830122 0.509634 Mg\n0.136977 0.621008 0.621008 Mg\n0.000000 0.000000 0.000000 P\n",
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{
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"structure_string": "Y2 Ni6 Se4 Cl2 O16\n1.0\n0.000000 6.842299 -0.000185\n6.289698 0.000000 0.000000\n0.000000 -0.000511 -9.436107\nY Ni Se Cl O\n2 6 4 2 16\ndirect\n0.261962 0.750000 0.750000 Y\n0.738038 0.250000 0.250000 Y\n0.000000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.208590 0.250000 0.250000 Ni\n0.791410 0.750000 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.592412 0.750000 0.437450 Se\n0.407588 0.250000 0.562550 Se\n0.407585 0.250000 0.937451 Se\n0.592415 0.750000 0.062549 Se\n0.173116 0.750000 0.250002 Cl\n0.826885 0.250000 0.749998 Cl\n0.250551 0.034687 0.588106 O\n0.250551 0.465313 0.588106 O\n0.749450 0.534687 0.088105 O\n0.015270 0.250000 0.389916 O\n0.984730 0.750000 0.610084 O\n0.749450 0.965314 0.088105 O\n0.250550 0.034687 0.911895 O\n0.984730 0.750000 0.889915 O\n0.749449 0.965313 0.411894 O\n0.749449 0.534687 0.411894 O\n0.250550 0.465314 0.911895 O\n0.425976 0.250000 0.378875 O\n0.574024 0.750000 0.878876 O\n0.425976 0.250000 0.121123 O\n0.015271 0.250000 0.110085 O\n0.574024 0.750000 0.621125 O\n",
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{
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"structure_string": "Fe4 P6 O20\n1.0\n8.388048 -0.000000 0.000000\n0.000000 4.668585 0.623421\n-0.000000 -0.021032 8.932542\nFe P O\n4 6 20\ndirect\n0.429344 0.044618 0.672538 Fe\n0.929344 0.955382 0.327462 Fe\n0.570656 0.955382 0.327462 Fe\n0.070656 0.044618 0.672538 Fe\n0.750000 0.387099 0.537270 P\n0.250000 0.467250 0.853419 P\n0.250000 0.337023 0.185857 P\n0.250000 0.612901 0.462730 P\n0.750000 0.662977 0.814143 P\n0.750000 0.532750 0.146581 P\n0.902220 0.694894 0.175102 O\n0.597020 0.220971 0.508205 O\n0.750000 0.694551 0.455172 O\n0.097780 0.305105 0.824897 O\n0.597781 0.694894 0.175102 O\n0.402598 0.172811 0.209453 O\n0.097020 0.779028 0.491794 O\n0.750000 0.225739 0.233932 O\n0.097403 0.172811 0.209453 O\n0.402220 0.305105 0.824897 O\n0.902981 0.220971 0.508205 O\n0.902598 0.827188 0.790547 O\n0.250000 0.529546 0.025723 O\n0.402980 0.779028 0.491794 O\n0.597403 0.827188 0.790547 O\n0.250000 0.305448 0.544828 O\n0.750000 0.470454 0.974276 O\n0.250000 0.597792 0.285214 O\n0.750000 0.402208 0.714786 O\n0.250000 0.774261 0.766068 O\n",
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{
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{
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}