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{
"id": "jvasp-66355",
"created_at": "2022-09-04T14:36:12.559622Z",
"updated_at": "2022-09-04T14:36:12.559643Z",
"structure_string": "Ba4 Re1 Mo1\n1.0\n0.000000 4.760247 4.760247\n4.760247 -0.000000 4.760247\n4.760247 4.760247 -0.000000\nBa Re Mo\n4 1 1\ndirect\n0.123903 0.625366 0.625366 Ba\n0.625366 0.625366 0.625366 Ba\n0.625366 0.123903 0.625366 Ba\n0.625366 0.625366 0.123903 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Mo\n",
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{
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"structure_string": "Mo4 O12\n1.0\n5.303206 -0.097906 -0.018819\n0.101296 5.382209 -0.020876\n0.091385 0.028247 7.553659\nMo O\n4 12\ndirect\n0.472778 0.005007 0.974804 Mo\n0.957048 0.490427 0.990692 Mo\n0.972838 0.494812 0.474805 Mo\n0.457042 0.009480 0.490688 Mo\n0.299418 0.291975 0.544220 O\n0.800880 0.213249 0.467656 O\n0.224030 0.788853 0.968723 O\n0.719914 0.710581 0.043732 O\n0.724128 0.711272 0.468530 O\n0.219915 0.789477 0.543479 O\n0.799430 0.208043 0.043980 O\n0.300889 0.286803 0.967449 O\n0.938068 0.489410 0.757876 O\n0.438128 0.011080 0.257870 O\n0.087799 0.510947 0.252741 O\n0.587719 0.988579 0.752747 O\n",
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{
"id": "jvasp-4008",
"created_at": "2022-09-04T14:36:57.746462Z",
"updated_at": "2022-09-04T14:36:57.746492Z",
"structure_string": "K4 Br2 O1\n1.0\n4.906648 -0.000000 -1.458445\n-0.433506 4.887459 -1.458445\n0.002642 0.002885 8.991826\nK Br O\n4 2 1\ndirect\n0.155610 0.155610 0.311220 K\n-0.000000 0.500000 -0.000000 K\n0.844389 0.844391 0.688779 K\n0.500000 0.000000 -0.000000 K\n0.355835 0.355836 0.711670 Br\n0.644164 0.644165 0.288329 Br\n0.000000 0.000000 0.000000 O\n",
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"density_atomic": 0.032456294846025115,
"volume": 215.67464903829838,
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"formula_full": "K4 Br2 O1",
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"spacegroup": 139
},
{
"id": "jvasp-35265",
"created_at": "2022-09-04T14:38:01.270968Z",
"updated_at": "2022-09-04T14:38:01.270991Z",
"structure_string": "Fe4 Si2 S8\n1.0\n-0.000156 0.000089 -5.459850\n-3.353921 -5.862071 0.000000\n-6.753473 -0.026563 0.000027\nFe Si S\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.080103 0.333335 0.333330 Si\n0.919896 0.666664 0.666671 Si\n0.251198 0.167738 0.664523 S\n0.686556 0.333331 0.333339 S\n0.251203 0.167730 0.167746 S\n0.251203 0.664524 0.167746 S\n0.748796 0.832269 0.832255 S\n0.748796 0.335475 0.832255 S\n0.313444 0.666668 0.666662 S\n0.748801 0.832261 0.335478 S\n",
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{
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"created_at": "2022-09-04T14:38:30.231561Z",
"updated_at": "2022-09-04T14:38:30.231581Z",
"structure_string": "Ca6 Cr2 N6\n1.0\n5.028173 -0.000000 0.000000\n-0.000000 6.490470 -1.257701\n0.000000 -0.015668 6.611186\nCa Cr N\n6 2 6\ndirect\n0.250000 0.404595 0.169616 Ca\n0.750000 0.107689 0.892311 Ca\n0.750000 0.169616 0.404596 Ca\n0.250000 0.892310 0.107690 Ca\n0.750000 0.595404 0.830384 Ca\n0.250000 0.830384 0.595405 Ca\n0.750000 0.695766 0.304234 Cr\n0.250000 0.304234 0.695766 Cr\n0.750000 0.432922 0.180992 N\n0.250000 0.126763 0.873237 N\n0.750000 0.873236 0.126764 N\n0.250000 0.180992 0.432922 N\n0.250000 0.567078 0.819009 N\n0.750000 0.819008 0.567079 N\n",
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{
"id": "jvasp-66527",
"created_at": "2022-09-04T14:35:45.434011Z",
"updated_at": "2022-09-04T14:35:45.434036Z",
"structure_string": "Ba4 Zn1 Re1\n1.0\n-0.000000 4.759682 4.759682\n4.759682 0.000000 4.759682\n4.759682 4.759682 0.000000\nBa Zn Re\n4 1 1\ndirect\n0.127473 0.624175 0.624175 Ba\n0.624175 0.624175 0.624175 Ba\n0.624175 0.127473 0.624175 Ba\n0.624175 0.624175 0.127473 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Re\n",
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{
"id": "jvasp-43047",
"created_at": "2022-09-04T14:38:09.922341Z",
"updated_at": "2022-09-04T14:38:09.922361Z",
"structure_string": "Li5 Mn5 Ni2 O12\n1.0\n5.071262 0.125712 -0.080530\n2.326780 4.507725 0.080530\n-0.595247 0.950408 9.590300\nLi Mn Ni O\n5 5 2 12\ndirect\n0.175724 0.651652 0.508642 Li\n0.305976 0.866017 0.986085 Li\n0.651650 0.175725 0.991358 Li\n0.866015 0.305978 0.513915 Li\n0.921615 0.921617 0.750000 Li\n0.072914 0.072915 0.250000 Mn\n0.986832 0.526453 0.990983 Mn\n0.526452 0.986834 0.509017 Mn\n0.412723 0.412723 0.250000 Mn\n0.579842 0.579843 0.750000 Mn\n0.748614 0.748615 0.250000 Ni\n0.254239 0.254241 0.750000 Ni\n0.804198 0.022465 0.382853 O\n0.933387 0.255440 0.867374 O\n0.255439 0.933389 0.632626 O\n0.178525 0.323831 0.381801 O\n0.323830 0.178526 0.118199 O\n0.297207 0.552340 0.867827 O\n0.552339 0.297208 0.632173 O\n0.429002 0.718279 0.357475 O\n0.718278 0.429003 0.142525 O\n0.632911 0.849807 0.876237 O\n0.849805 0.632912 0.623763 O\n0.022465 0.804199 0.117147 O\n",
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"formula_full": "Li5 Mn5 Ni2 O12",
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{
"id": "jvasp-86978",
"created_at": "2022-09-04T14:35:56.643214Z",
"updated_at": "2022-09-04T14:35:56.643232Z",
"structure_string": "Nb5 As4 Pd4\n1.0\n3.710624 0.000000 0.951189\n1.855312 7.502725 0.475594\n-0.007715 -0.000000 7.743332\nNb As Pd\n5 4 4\ndirect\n0.382884 0.305705 0.928528 Nb\n0.617116 0.694294 0.071471 Nb\n0.000000 0.000000 0.000000 Nb\n0.688588 0.928528 0.694294 Nb\n0.311412 0.071471 0.305705 Nb\n0.932239 0.823932 0.311587 As\n0.067761 0.176067 0.688412 As\n0.243828 0.688412 0.823932 As\n0.756172 0.311587 0.176067 As\n0.596151 0.293354 0.514344 Pd\n0.110495 0.485655 0.293354 Pd\n0.403849 0.706646 0.485655 Pd\n0.889505 0.514344 0.706646 Pd\n",
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{
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"created_at": "2022-09-04T14:38:44.692227Z",
"updated_at": "2022-09-04T14:38:44.692244Z",
"structure_string": "Li6 V2 O2 F10\n1.0\n5.053421 -0.124686 -0.223730\n-1.726938 5.341254 0.396744\n-0.151829 0.353622 8.079555\nLi V O F\n6 2 2 10\ndirect\n0.059079 0.919020 0.652684 Li\n0.559082 0.419017 0.152687 Li\n-0.010258 0.389059 0.688208 Li\n0.489748 0.889060 0.188208 Li\n0.484986 0.745627 0.826939 Li\n-0.015013 0.245631 0.326939 Li\n0.522822 0.567041 0.499619 V\n0.022820 0.067037 -0.000381 V\n0.217409 0.072324 0.172574 O\n0.717400 0.572322 0.672575 O\n0.707380 0.751150 0.041950 F\n0.802413 0.054285 0.773581 F\n0.302414 0.554286 0.273579 F\n0.771066 0.214631 0.090579 F\n0.271055 0.714634 0.590577 F\n0.220921 0.905740 0.877110 F\n0.720922 0.405738 0.377112 F\n0.729785 0.896321 0.392547 F\n0.229785 0.396327 0.892545 F\n0.207378 0.251155 0.541951 F\n",
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{
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"created_at": "2022-09-04T14:38:29.632361Z",
"updated_at": "2022-09-04T14:38:29.632384Z",
"structure_string": "K1 As4 Cl1 O6\n1.0\n2.659766 -4.606850 0.000000\n2.659766 4.606850 0.000000\n0.000000 -0.000000 8.796992\nK As Cl O\n1 4 1 6\ndirect\n0.000000 0.000000 0.500000 K\n0.666668 0.333334 0.794331 As\n0.333334 0.666668 0.794331 As\n0.333334 0.666668 0.205669 As\n0.666668 0.333334 0.205669 As\n0.000000 0.000000 0.000000 Cl\n0.500001 0.500001 0.680968 O\n0.500001 0.500001 0.319032 O\n0.000000 0.500000 0.680968 O\n0.500000 0.000000 0.680968 O\n0.000000 0.500000 0.319032 O\n0.500000 0.000000 0.319032 O\n",
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{
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"created_at": "2022-09-04T14:38:39.373971Z",
"updated_at": "2022-09-04T14:38:39.373984Z",
"structure_string": "Dy2 B8 Ir4 Rh4\n1.0\n5.369623 -0.000000 0.000000\n0.000000 5.369623 0.000000\n0.000000 -0.000000 7.476848\nDy B Ir Rh\n2 8 4 4\ndirect\n0.500000 0.000000 0.247104 Dy\n-0.000000 0.500000 0.747104 Dy\n-0.000000 0.831659 0.100629 B\n0.831659 0.000000 0.600629 B\n0.168341 0.000000 0.600629 B\n-0.000000 0.168341 0.100629 B\n0.500000 0.328366 0.901977 B\n0.671633 0.500000 0.401977 B\n0.328366 0.500000 0.401977 B\n0.500000 0.671633 0.901977 B\n0.752038 0.500000 0.104105 Ir\n0.247962 0.500000 0.104105 Ir\n0.500000 0.752038 0.604105 Ir\n0.500000 0.247962 0.604105 Ir\n-0.000000 0.749500 0.394737 Rh\n0.749500 0.000000 0.894737 Rh\n0.250499 0.000000 0.894737 Rh\n-0.000000 0.250499 0.394737 Rh\n",
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{
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"created_at": "2022-09-04T14:38:02.072856Z",
"updated_at": "2022-09-04T14:38:02.072887Z",
"structure_string": "Rb3 Tl1\n1.0\n-3.033195 3.033195 5.857935\n3.033195 -3.033195 5.857935\n3.033195 3.033195 -5.857935\nRb Tl\n3 1\ndirect\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Tl\n",
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]
}