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{
"id": "jvasp-55332",
"created_at": "2022-09-04T14:36:53.437269Z",
"updated_at": "2022-09-04T14:36:53.437304Z",
"structure_string": "Nd1 Fe3 B4 O12\n1.0\n5.792410 -0.038878 -1.457876\n-1.861238 5.485373 -1.457876\n-0.028062 -0.038878 5.972991\nNd Fe B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n-0.000000 0.561135 0.438864 Fe\n0.438865 -0.000000 0.561135 Fe\n0.561135 0.438865 -0.000001 Fe\n0.063264 0.499999 0.936735 B\n0.500000 0.499999 0.499999 B\n0.936736 0.063264 0.499999 B\n0.500000 0.936735 0.063263 B\n0.774771 0.030361 0.624563 O\n0.624563 0.774770 0.030360 O\n0.030361 0.624563 0.774770 O\n0.352277 0.647722 0.499999 O\n0.647722 0.499999 0.352276 O\n0.085260 0.914739 0.499999 O\n0.500000 0.085260 0.914739 O\n0.914740 0.499999 0.085259 O\n0.969638 0.225229 0.375436 O\n0.375436 0.969638 0.225228 O\n0.225229 0.375436 0.969638 O\n0.500000 0.352277 0.647722 O\n",
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"structure_string": "Li1 Cu3 O3\n1.0\n4.042082 -0.000000 0.000000\n0.000000 4.042082 0.000000\n-0.000000 0.000000 4.042082\nLi Cu O\n1 3 3\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 -0.000000 O\n-0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:52.899538Z",
"updated_at": "2022-09-04T14:38:52.899568Z",
"structure_string": "Li4 Ti3 Fe3 O12\n1.0\n5.547596 0.059972 -1.054120\n-0.414056 5.826395 -1.442928\n0.215964 -0.110993 6.405046\nLi Ti Fe O\n4 3 3 12\ndirect\n0.500000 -0.000000 0.000000 Li\n0.203789 0.649800 0.642318 Li\n0.000000 0.000000 0.000000 Li\n0.796210 0.350200 0.357682 Li\n0.809371 0.834871 0.360904 Ti\n0.500000 0.499999 -0.000000 Ti\n0.190628 0.165128 0.639096 Ti\n0.331421 0.834409 0.334014 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.668578 0.165590 0.665986 Fe\n0.746677 0.264483 0.989786 O\n0.072119 0.608487 0.315972 O\n0.240285 0.266684 0.977663 O\n0.569102 0.593538 0.321797 O\n0.759715 0.733316 0.022337 O\n0.416928 0.929616 0.655641 O\n0.253322 0.735516 0.010214 O\n0.583071 0.070383 0.344359 O\n0.924122 0.943975 0.668412 O\n0.430897 0.406461 0.678203 O\n0.075877 0.056024 0.331588 O\n0.927880 0.391512 0.684028 O\n",
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"formula_full": "Li4 Ti3 Fe3 O12",
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{
"id": "jvasp-12910",
"created_at": "2022-09-04T14:36:50.952422Z",
"updated_at": "2022-09-04T14:36:50.952441Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.678510 0.000000 0.000000\n0.000000 6.161691 0.000000\n0.000000 0.000000 6.659407\nSr H O\n2 8 6\ndirect\n0.000000 0.629009 0.751980 Sr\n0.000000 0.370991 0.251979 Sr\n0.500000 0.293741 0.602601 H\n0.500000 0.706259 0.102601 H\n0.500000 0.968444 0.598045 H\n0.500000 0.031556 0.098044 H\n0.210816 0.121121 0.829529 H\n0.789184 0.878879 0.329528 H\n0.210816 0.878879 0.329528 H\n0.789184 0.121121 0.829529 H\n0.000000 0.214136 0.877714 O\n0.500000 0.564569 0.036490 O\n0.500000 0.942248 0.742916 O\n0.500000 0.057752 0.242915 O\n0.000000 0.785864 0.377714 O\n0.500000 0.435431 0.536490 O\n",
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"formula_full": "Sr2 H8 O6",
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{
"id": "jvasp-51408",
"created_at": "2022-09-04T14:37:07.190252Z",
"updated_at": "2022-09-04T14:37:07.190279Z",
"structure_string": "Ni1 O2\n1.0\n2.190685 -0.984164 -2.518398\n-0.970629 2.833684 -1.771476\n0.537528 0.984164 3.294313\nNi O\n1 2\ndirect\n0.000000 0.499999 0.499999 Ni\n0.744306 0.744305 0.000000 O\n0.255696 0.255696 0.000000 O\n",
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{
"id": "jvasp-51020",
"created_at": "2022-09-04T14:36:36.307930Z",
"updated_at": "2022-09-04T14:36:36.307962Z",
"structure_string": "Sr2 H8 O6\n1.0\n0.000000 3.678891 -0.005700\n6.658348 0.000000 0.000000\n0.000000 -0.009845 -6.161913\nSr H O\n2 8 6\ndirect\n0.999957 0.750852 0.370886 Sr\n0.000044 0.250852 0.629113 Sr\n0.789079 0.828319 0.878752 H\n0.210698 0.828369 0.878838 H\n0.210922 0.328319 0.121247 H\n0.789303 0.328369 0.121161 H\n0.499681 0.596848 0.031435 H\n0.500320 0.096848 0.968565 H\n0.500009 0.601601 0.706157 H\n0.499992 0.101601 0.293843 H\n0.999907 0.876514 0.785785 O\n0.000094 0.376514 0.214214 O\n0.499895 0.741740 0.057655 O\n0.500106 0.241740 0.942345 O\n0.499994 0.535360 0.564538 O\n0.500007 0.035360 0.435461 O\n",
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"volume": 150.9385062595103,
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"formula_full": "Sr2 H8 O6",
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{
"id": "jvasp-33028",
"created_at": "2022-09-04T14:37:32.497883Z",
"updated_at": "2022-09-04T14:37:32.497905Z",
"structure_string": "Zn1 H8 N4 Cl2\n1.0\n4.320118 3.963358 -1.230077\n-4.320118 3.963358 1.230077\n-0.021841 0.000000 4.138302\nZn H N Cl\n1 8 4 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.003350 0.323952 0.452048 H\n0.676048 0.996651 0.452048 H\n0.996651 0.676048 0.547952 H\n0.323952 0.003350 0.547952 H\n0.255375 0.364030 0.709244 H\n0.635970 0.744625 0.709244 H\n0.744625 0.635970 0.290756 H\n0.364030 0.255375 0.290756 H\n0.139975 0.242898 0.606578 N\n0.757102 0.860025 0.606578 N\n0.860025 0.757102 0.393421 N\n0.242898 0.139975 0.393421 N\n0.708730 0.291271 0.978195 Cl\n0.291271 0.708730 0.021805 Cl\n",
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{
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"structure_string": "Cd1 C2 N1\n1.0\n2.671776 0.000000 -0.000000\n0.000000 2.671776 0.000000\n0.000000 -0.000000 5.285827\nCd C N\n1 2 1\ndirect\n0.500001 0.500001 0.500000 Cd\n0.000000 0.500001 0.165098 C\n0.500001 0.000000 -0.165098 C\n0.000000 0.000000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:37:01.366523Z",
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"structure_string": "Li2 Mg2 H6\n1.0\n4.376527 0.005891 2.971482\n1.577239 4.082443 2.971482\n0.008578 0.005891 5.289955\nLi Mg H\n2 2 6\ndirect\n0.288457 0.288456 0.288457 Li\n0.788458 0.788456 0.788457 Li\n0.997846 0.997843 0.997844 Mg\n0.497845 0.497843 0.497844 Mg\n0.099696 0.703773 0.390030 H\n0.703775 0.390029 0.099695 H\n0.390030 0.099695 0.703774 H\n0.890031 0.203773 0.599695 H\n0.599696 0.890029 0.203774 H\n0.203775 0.599694 0.890030 H\n",
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"created_at": "2022-09-04T14:37:18.868416Z",
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"structure_string": "Li1 Co1 F2\n1.0\n2.970279 0.186225 5.028055\n1.516005 2.561048 5.028055\n0.304106 0.186225 5.831931\nLi Co F\n1 1 2\ndirect\n0.500002 0.500003 0.499997 Li\n0.000000 0.000000 0.000000 Co\n0.234315 0.234313 0.234312 F\n0.765690 0.765690 0.765684 F\n",
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{
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"structure_string": "Y1 Fe4 Cu3 O12\n1.0\n5.899322 -0.000037 -2.085800\n-2.949649 5.108876 -2.085669\n-0.000062 0.000052 6.257224\nY Fe Cu O\n1 4 3 12\ndirect\n-0.000000 0.000000 0.000001 Y\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 1.000000 0.500000 Cu\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500001 0.500000 Cu\n0.700021 0.522700 0.822670 O\n0.177337 0.299990 0.477333 O\n0.522670 0.822663 0.700006 O\n0.700010 0.877351 0.177339 O\n0.122654 0.822665 0.299983 O\n0.177346 0.699999 0.877346 O\n0.299980 0.477301 0.177329 O\n0.822662 0.700010 0.522666 O\n0.877345 0.177334 0.700017 O\n0.822653 0.300001 0.122653 O\n0.477329 0.177336 0.299994 O\n0.299991 0.122649 0.822661 O\n",
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]
}