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{
"id": "jvasp-38596",
"created_at": "2022-09-04T14:37:52.308948Z",
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"structure_string": "Hf2 Sb6\n1.0\n3.273176 -5.669307 -0.000000\n3.273176 5.669307 -0.000000\n-0.000000 0.000000 5.500161\nHf Sb\n2 6\ndirect\n0.333334 0.666668 0.250000 Hf\n0.666668 0.333334 0.750000 Hf\n0.178408 0.821594 0.750000 Sb\n0.643187 0.821594 0.750000 Sb\n0.178408 0.356814 0.750000 Sb\n0.821594 0.178408 0.250000 Sb\n0.356814 0.178408 0.250000 Sb\n0.821594 0.643187 0.250000 Sb\n",
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{
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{
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{
"id": "jvasp-57317",
"created_at": "2022-09-04T14:38:12.783811Z",
"updated_at": "2022-09-04T14:38:12.783837Z",
"structure_string": "Ba2 Tb4 Mn4 O14\n1.0\n5.516159 0.002468 0.000015\n0.003124 5.601981 -0.000163\n0.001696 2.800567 9.906744\nTb Ba Mn O\n4 2 4 14\ndirect\n0.734436 0.541741 0.365659 Tb\n0.265565 0.458259 0.634341 Tb\n0.265574 0.092600 0.365659 Tb\n0.734426 0.907401 0.634341 Tb\n0.747020 0.742450 0.000003 Ba\n0.252980 0.257550 -0.000003 Ba\n0.753613 0.349200 0.793458 Mn\n0.246384 0.857349 0.793459 Mn\n0.246388 0.650801 0.206543 Mn\n0.753616 0.142652 0.206542 Mn\n0.000000 0.393512 0.212968 O\n-0.000000 0.606488 0.787032 O\n0.726978 0.530367 0.580492 O\n0.759587 0.222846 -0.000004 O\n0.273023 0.469634 0.419509 O\n0.500003 0.399186 0.201625 O\n0.499998 0.600815 0.798376 O\n0.000000 0.875672 0.248649 O\n0.273026 0.889139 0.580489 O\n0.726974 0.110861 0.419512 O\n0.240413 0.777153 0.000005 O\n0.500005 0.882370 0.235251 O\n-0.000000 0.124328 0.751351 O\n0.499996 0.117630 0.764750 O\n",
"nsites": 24,
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"elements": [
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"formula_full": "Ba2 Tb4 Mn4 O14",
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{
"id": "jvasp-17476",
"created_at": "2022-09-04T14:38:19.021534Z",
"updated_at": "2022-09-04T14:38:19.021567Z",
"structure_string": "Er1 Fe2 O4\n1.0\n3.408537 -0.000306 7.815567\n1.629881 2.993595 7.815567\n-0.000514 -0.000306 8.526500\nEr Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.786997 0.786994 0.786995 Fe\n0.213006 0.213005 0.213005 Fe\n0.873344 0.873340 0.873341 O\n0.126659 0.126659 0.126659 O\n0.708077 0.708075 0.708075 O\n0.291925 0.291924 0.291924 O\n",
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{
"id": "jvasp-107092",
"created_at": "2022-09-04T14:36:57.883023Z",
"updated_at": "2022-09-04T14:36:57.883043Z",
"structure_string": "Ba1 Pr1 Mn2 O5\n1.0\n3.976010 -0.000000 0.000000\n0.000000 3.976010 0.000000\n-0.000000 -0.000000 7.669921\nBa Pr Mn O\n1 1 2 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.763145 Mn\n0.500000 0.500000 0.236855 Mn\n0.500000 0.000000 0.202569 O\n-0.000000 0.500000 0.797431 O\n0.500000 0.000000 0.797431 O\n-0.000000 0.500000 0.202569 O\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "Ba1 Pr1 Mn2 O5",
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{
"id": "jvasp-63178",
"created_at": "2022-09-04T14:36:00.762985Z",
"updated_at": "2022-09-04T14:36:00.763007Z",
"structure_string": "Co6 As3\n1.0\n2.999725 -5.195676 0.000000\n2.999790 5.195713 0.000000\n0.000000 0.000000 3.530931\nCo As\n6 3\ndirect\n0.000000 0.743044 0.000000 Co\n0.256956 0.256956 0.000000 Co\n0.743047 -0.000001 0.000000 Co\n0.000012 0.400642 0.500000 Co\n0.599369 0.599357 0.500000 Co\n0.400621 -0.000000 0.500000 Co\n0.666667 0.333331 0.000000 As\n0.333335 0.666667 0.000000 As\n-0.000006 0.000000 0.500000 As\n",
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"formula_full": "Co6 As3",
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{
"id": "jvasp-62492",
"created_at": "2022-09-04T14:36:16.890692Z",
"updated_at": "2022-09-04T14:36:16.890711Z",
"structure_string": "Co6 As3\n1.0\n2.999069 -5.195681 0.000000\n3.000057 5.196251 0.000000\n0.000000 0.000000 3.531081\nCo As\n6 3\ndirect\n0.743050 0.743092 0.000000 Co\n0.256951 0.000043 0.000000 Co\n0.000000 0.256996 0.000000 Co\n0.401001 0.400534 0.500000 Co\n0.599000 0.999534 0.500000 Co\n0.000000 0.599626 0.500000 Co\n0.333269 0.666653 0.000000 As\n0.666732 0.333384 0.000000 As\n0.000000 0.000142 0.500000 As\n",
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},
{
"id": "jvasp-18389",
"created_at": "2022-09-04T14:38:03.413591Z",
"updated_at": "2022-09-04T14:38:03.413619Z",
"structure_string": "Zr1 H2\n1.0\n2.953260 -0.000000 1.705065\n0.984420 2.784360 1.705065\n-0.000000 -0.000000 3.410131\nZr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.749998 H\n0.250000 0.250000 0.249999 H\n",
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{
"id": "jvasp-110937",
"created_at": "2022-09-04T14:38:37.314631Z",
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"structure_string": "Tb2 Fe2 Si4\n1.0\n3.979487 0.000000 0.000000\n-0.000000 4.154103 0.988754\n0.000000 0.030700 7.967167\nTb Fe Si\n2 2 4\ndirect\n0.250000 0.605317 0.793839 Tb\n0.750001 0.394683 0.206161 Tb\n0.250000 0.884454 0.389707 Fe\n0.750001 0.115545 0.610293 Fe\n0.250000 0.953465 0.098076 Si\n0.750001 0.046535 0.901924 Si\n0.250000 0.325738 0.495411 Si\n0.750001 0.674261 0.504589 Si\n",
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"spacegroup": 11
},
{
"id": "jvasp-43057",
"created_at": "2022-09-04T14:38:10.420861Z",
"updated_at": "2022-09-04T14:38:10.420882Z",
"structure_string": "Li1 Co2 Ni1 O6\n1.0\n-2.822841 0.037408 -0.021126\n-0.078253 -5.773354 0.118621\n1.388443 1.525823 5.885003\nLi Co Ni O\n1 2 1 6\ndirect\n0.666650 0.833325 0.333329 Li\n0.338916 0.655460 0.677793 Co\n0.994419 0.011206 0.988874 Co\n0.666669 0.333336 0.333331 Ni\n0.178409 0.560130 0.356884 O\n0.154934 0.106542 0.309783 O\n0.837553 0.876805 0.675215 O\n0.828064 0.439559 0.655968 O\n0.495777 0.789861 0.991453 O\n0.505272 0.227106 0.010697 O\n",
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{
"id": "jvasp-97563",
"created_at": "2022-09-04T14:36:19.845849Z",
"updated_at": "2022-09-04T14:36:19.845870Z",
"structure_string": "Li12 H24 Ir4\n1.0\n8.490002 -0.000000 0.000000\n-0.000000 4.751497 0.000000\n0.000000 0.000000 8.469586\nLi H Ir\n12 24 4\ndirect\n0.541478 0.250000 0.869924 Li\n0.771424 0.750000 0.758371 Li\n0.271424 0.750000 0.741630 Li\n0.228576 0.250000 0.241629 Li\n0.602642 0.750000 0.478232 Li\n0.102642 0.750000 0.021768 Li\n0.728576 0.250000 0.258371 Li\n0.897358 0.250000 0.978233 Li\n0.958521 0.750000 0.369923 Li\n0.458522 0.750000 0.130077 Li\n0.041478 0.250000 0.630077 Li\n0.397358 0.250000 0.521768 Li\n0.387414 0.750000 0.559347 H\n0.105140 0.495566 0.820801 H\n0.612586 0.250000 0.440654 H\n0.112586 0.250000 0.059347 H\n0.887414 0.750000 0.940654 H\n0.225879 0.250000 0.896994 H\n0.334526 0.250000 0.733940 H\n0.165473 0.750000 0.233940 H\n0.665473 0.750000 0.266060 H\n0.725879 0.250000 0.603007 H\n0.605140 0.004434 0.679200 H\n0.834526 0.250000 0.766061 H\n0.894859 0.995566 0.179199 H\n0.346030 0.498634 0.971173 H\n0.894859 0.504434 0.179199 H\n0.394860 0.995566 0.320801 H\n0.105140 0.004434 0.820801 H\n0.605140 0.495566 0.679200 H\n0.274121 0.750000 0.396994 H\n0.846030 0.001366 0.528828 H\n0.653969 -0.001366 0.028827 H\n0.153970 0.501367 0.471173 H\n0.653969 0.501367 0.028827 H\n0.153970 -0.001366 0.471173 H\n0.346030 0.001366 0.971173 Ir\n0.846030 0.498634 0.528828 Ir\n0.394860 0.504434 0.320801 Ir\n0.774121 0.750000 0.103007 Ir\n",
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}