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{
"id": "jvasp-114440",
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"updated_at": "2022-09-04T14:38:41.934250Z",
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{
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{
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"structure_string": "Ba1 Cl1\n1.0\n4.427708 0.000000 -0.000000\n0.000000 4.427708 0.000000\n-0.000000 -0.000000 4.277589\nBa Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:41.943846Z",
"updated_at": "2022-09-04T14:38:41.943863Z",
"structure_string": "Ag1 Cl1 O2\n1.0\n3.050325 0.000000 0.000000\n-0.000000 3.050325 0.000000\n-0.000000 -0.000000 6.326664\nAg Cl O\n1 1 2\ndirect\n0.000000 0.000000 0.249243 Ag\n0.500002 0.500002 0.750046 Cl\n0.000000 0.000000 0.750532 O\n0.500002 0.500002 0.250178 O\n",
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{
"id": "jvasp-116229",
"created_at": "2022-09-04T14:38:41.944334Z",
"updated_at": "2022-09-04T14:38:41.944366Z",
"structure_string": "Na1 La1 Se2\n1.0\n2.182567 1.260106 6.878113\n-2.182567 1.260106 6.878113\n0.000000 -2.520212 6.878113\nNa La Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 La\n0.752633 0.752633 0.752633 Se\n0.247366 0.247366 0.247366 Se\n",
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{
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"created_at": "2022-09-04T14:38:41.946457Z",
"updated_at": "2022-09-04T14:38:41.946472Z",
"structure_string": "Nb2 Cr6 Ag4 S16\n1.0\n7.252413 -0.000000 0.000000\n0.000000 7.300614 0.000000\n-0.000000 -0.000000 10.194029\nNb Cr Ag S\n2 6 4 16\ndirect\n-0.000000 0.461061 0.500000 Nb\n0.500000 0.538939 0.500000 Nb\n0.254554 0.752859 0.247152 Cr\n0.745446 0.752859 0.752848 Cr\n0.245446 0.247140 0.247152 Cr\n0.754554 0.247140 0.752848 Cr\n-0.000000 0.997761 -0.000000 Cr\n0.500000 0.002238 -0.000000 Cr\n0.250000 0.500000 0.883846 Ag\n0.250000 0.000000 0.642000 Ag\n0.750000 0.500000 0.116155 Ag\n0.750000 0.000000 0.358000 Ag\n0.465201 0.002976 0.233710 S\n0.527727 0.495132 0.739787 S\n0.761977 0.736280 0.510677 S\n0.252126 0.782003 0.014677 S\n0.752126 0.217997 0.985323 S\n0.261977 0.263720 0.489324 S\n0.472273 0.495132 0.260213 S\n0.238023 0.736280 0.489324 S\n0.972273 0.504868 0.739787 S\n0.034799 0.997023 0.233710 S\n0.247874 0.217997 0.014677 S\n0.738022 0.263720 0.510677 S\n0.027727 0.504868 0.260213 S\n0.747874 0.782003 0.985323 S\n0.534799 0.002976 0.766290 S\n0.965201 0.997023 0.766290 S\n",
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{
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"created_at": "2022-09-04T14:38:41.946661Z",
"updated_at": "2022-09-04T14:38:41.946684Z",
"structure_string": "Mn8 Ir2 N8\n1.0\n5.196009 -0.026889 2.120587\n2.214870 4.378905 2.938358\n0.009296 0.024164 7.752843\nMn Ir N\n8 2 8\ndirect\n0.737786 0.582830 0.224801 Mn\n0.262216 0.417168 0.775200 Mn\n0.694349 0.204073 0.018428 Mn\n0.305653 0.795925 0.981572 Mn\n0.754655 0.515222 0.579730 Mn\n0.245347 0.484776 0.420270 Mn\n0.287381 0.950865 0.591507 Mn\n0.712621 0.049133 0.408494 Mn\n0.208387 0.060305 0.220789 Ir\n0.791615 0.939693 0.779212 Ir\n0.953334 0.665757 0.609582 N\n0.046668 0.334241 0.390419 N\n0.940058 0.800338 0.024255 N\n0.059944 0.199659 0.975746 N\n0.471192 0.559914 0.807323 N\n0.528810 0.440084 0.192678 N\n0.560282 0.866832 0.361425 N\n0.439720 0.133166 0.638575 N\n",
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"density": 8.805040396317537,
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"volume": 176.51835149484685,
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"formula_full": "Mn8 Ir2 N8",
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{
"id": "jvasp-111881",
"created_at": "2022-09-04T14:38:41.947076Z",
"updated_at": "2022-09-04T14:38:41.947103Z",
"structure_string": "Sr3 Nb1 Co1 O7\n1.0\n3.909865 -0.004686 0.703412\n-0.124722 3.904911 0.719673\n0.109918 0.069515 10.607183\nSr Nb Co O\n3 1 1 7\ndirect\n0.308139 0.308086 0.383838 Sr\n0.678495 0.678530 0.642928 Sr\n0.515588 0.515632 0.968722 Sr\n0.905542 0.905485 0.189039 Nb\n0.100046 0.100081 0.799822 Co\n0.595146 0.095181 0.809624 O\n0.095126 0.595179 0.809624 O\n0.401555 0.901512 0.197000 O\n0.901604 0.401507 0.196998 O\n0.000790 0.000794 -0.001588 O\n0.193605 0.193642 0.612694 O\n0.804376 0.804356 0.391294 O\n",
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{
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"updated_at": "2022-09-04T14:38:41.947424Z",
"structure_string": "Li3 V3 C6 O18\n1.0\n7.929862 0.000000 0.000000\n-3.964931 6.867462 0.000000\n-0.000000 -0.000000 5.218913\nLi V C O\n3 3 6 18\ndirect\n0.000000 0.333298 -0.000000 Li\n0.666702 0.666702 -0.000000 Li\n0.333298 -0.000000 -0.000000 Li\n0.000000 0.666647 0.500000 V\n0.333353 0.333353 0.500000 V\n0.666647 -0.000000 0.500000 V\n0.666667 0.333333 0.739657 C\n0.666667 0.333333 0.260275 C\n0.000000 0.000000 0.260323 C\n0.333333 0.666666 0.260342 C\n0.333333 0.666666 0.739724 C\n0.000000 0.000000 0.739677 C\n0.477679 0.244411 0.261827 O\n0.755589 0.233268 0.261827 O\n0.766732 0.522321 0.261827 O\n0.577759 0.144352 0.738116 O\n0.911093 0.811017 0.738130 O\n0.811017 0.911093 0.261869 O\n0.566593 0.422241 0.738116 O\n0.422241 0.566593 0.261884 O\n0.144352 0.577759 0.261884 O\n0.522321 0.766732 0.738172 O\n0.244411 0.477679 0.738172 O\n0.433407 0.855648 0.261884 O\n0.100076 0.188983 0.261869 O\n0.855648 0.433407 0.738116 O\n0.233268 0.755589 0.738172 O\n0.088907 0.899924 0.261869 O\n0.188983 0.100076 0.738130 O\n0.899924 0.088907 0.738130 O\n",
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"structure_string": "Cd1 H14 C9 O4\n1.0\n4.225863 0.138091 0.360918\n0.881066 4.121010 0.202062\n0.203288 0.216112 12.927102\nCd H C O\n1 14 9 4\ndirect\n0.063111 0.991661 0.829569 Cd\n0.266786 0.029633 0.429324 H\n0.810611 0.390157 0.162751 H\n0.823044 0.050575 0.089160 H\n0.793041 0.130000 0.337473 H\n0.865514 0.749733 0.279835 H\n0.359928 0.639621 0.377248 H\n0.776427 0.880980 0.521675 H\n0.581152 0.659203 0.018593 H\n0.220552 0.624549 0.093527 H\n0.269626 0.322700 0.255315 H\n0.331496 0.947583 0.195816 H\n0.239483 0.769304 0.604027 H\n0.376843 0.360501 0.563806 H\n0.876216 0.486516 0.471080 H\n0.355047 0.333717 0.961977 C\n0.446757 0.481686 0.053908 C\n0.655887 0.252296 0.131181 C\n0.461011 0.118294 0.222826 C\n0.670390 0.690469 0.495042 C\n0.471900 0.827729 0.402749 C\n0.457289 0.573460 0.585896 C\n0.634629 0.477779 0.683463 C\n0.669443 0.953515 0.310334 C\n0.533343 0.072176 0.924087 O\n0.549563 0.650058 0.763121 O\n0.872955 0.222033 0.680740 O\n0.087271 0.474970 0.921898 O\n",
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"structure_string": "Na1 La1 Se1\n1.0\n3.454241 -0.000000 0.000000\n-0.000000 3.454241 0.000000\n-0.000000 -0.000000 9.117864\nNa La Se\n1 1 1\ndirect\n0.000000 0.000000 0.049409 Na\n0.000000 0.000000 0.446365 La\n0.000000 0.000000 0.747412 Se\n",
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{
"id": "jvasp-114768",
"created_at": "2022-09-04T14:38:41.959738Z",
"updated_at": "2022-09-04T14:38:41.959773Z",
"structure_string": "Cd1 Te2\n1.0\n6.424627 0.255181 0.353313\n-2.350188 -2.102125 0.129194\n0.289182 -0.689679 -7.715694\nCd Te\n1 2\ndirect\n0.053061 0.079219 0.970953 Cd\n0.533679 0.312048 0.198216 Te\n0.113321 0.132276 0.618065 Te\n",
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]
}