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{
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{
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"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n8.678959 0.000000 0.000000\n-4.186471 7.652956 0.000000\n-4.338339 -2.593378 7.180045\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.401441 0.738459 0.110312 Li\n0.973670 0.039009 0.650177 Li\n0.055180 0.890721 0.262085 Li\n0.892119 0.621786 0.640072 Li\n0.130697 0.362248 0.380695 Li\n0.785986 0.347692 0.962583 Li\n0.712176 0.153813 0.350628 Mn\n0.288610 0.356848 0.146750 V\n0.283046 0.852843 0.643828 V\n0.705444 0.642913 0.847337 V\n0.516053 0.752866 0.471098 P\n0.793704 0.530941 0.249197 P\n0.791526 0.047307 0.048235 P\n0.210716 0.472132 0.751769 P\n0.197612 0.949139 0.952613 P\n0.486714 0.247893 0.524753 P\n0.357605 0.598466 0.277112 O\n0.675245 0.713422 0.619790 O\n0.599704 0.481658 0.247299 O\n0.845168 0.381571 0.283426 O\n0.659201 0.934470 0.453006 O\n0.971736 0.241711 0.075084 O\n0.771072 0.548448 0.064270 O\n0.183885 0.113609 0.991264 O\n0.406845 0.972255 0.102904 O\n0.984265 0.724935 0.401072 O\n0.157008 0.927424 0.754935 O\n0.641779 0.261776 0.477253 O\n0.373527 0.757296 0.522219 O\n0.810969 0.060722 0.236996 O\n0.026912 0.274616 0.609092 O\n0.579977 0.011142 0.885166 O\n0.825724 0.892816 0.023469 O\n0.264170 0.479927 0.948899 O\n0.015478 0.764094 0.934768 O\n0.338240 0.054151 0.518483 O\n0.152912 0.616291 0.706281 O\n0.401001 0.524686 0.740067 O\n0.332843 0.294834 0.380581 O\n0.640128 0.394070 0.723434 O\n",
"nsites": 40,
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"formula_full": "Li6 Mn1 V3 P6 O24",
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},
{
"id": "mp-1102075",
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"structure_string": "Tb2 H4 Cl2 O4\n1.0\n3.715607 0.000000 0.000000\n0.000000 6.182106 0.000000\n0.000000 2.305249 6.323524\nTb H Cl O\n2 4 2 4\ndirect\n0.250000 0.702349 0.121514 Tb\n0.750000 0.297651 0.878486 Tb\n0.750000 0.882395 0.775912 H\n0.250000 0.117605 0.224088 H\n0.750000 0.319317 0.302536 H\n0.250000 0.680683 0.697464 H\n0.750000 0.757571 0.432459 Cl\n0.250000 0.242429 0.567541 Cl\n0.750000 0.897965 0.915022 O\n0.250000 0.102035 0.084978 O\n0.750000 0.437202 0.161958 O\n0.250000 0.562798 0.838042 O\n",
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"formula_full": "Tb2 H4 Cl2 O4",
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"spacegroup": 11
},
{
"id": "mp-1215190",
"created_at": "2022-09-04T14:46:59.765319Z",
"structure_string": "Zr1 Ti1 S6\n1.0\n0.000000 -3.545112 0.000000\n-5.126411 0.000000 0.060001\n-1.123659 0.000000 -9.100281\nZr Ti S\n1 1 6\ndirect\n0.250000 0.722776 0.647607 Zr\n0.750000 0.278933 0.347923 Ti\n0.750000 0.481208 0.822902 S\n0.250000 0.509842 0.187349 S\n0.750000 0.884067 0.827175 S\n0.250000 0.115112 0.184402 S\n0.750000 0.764844 0.440142 S\n0.250000 0.243218 0.542500 S\n",
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"formula_full": "Zr1 Ti1 S6",
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{
"id": "mp-1226675",
"created_at": "2022-09-04T14:46:40.687895Z",
"structure_string": "Cs8 Na4 Y3 Ho1 Cl24\n1.0\n7.704038 0.000000 0.000000\n0.000000 7.704038 0.000000\n0.000000 0.000000 21.789644\nCs Na Y Ho Cl\n8 4 3 1 24\ndirect\n0.000000 0.500000 0.375014 Cs\n0.500000 0.000000 0.124934 Cs\n0.000000 0.500000 0.875066 Cs\n0.500000 0.000000 0.624986 Cs\n0.000000 0.500000 0.124934 Cs\n0.500000 0.000000 0.875066 Cs\n0.000000 0.500000 0.624986 Cs\n0.500000 0.000000 0.375014 Cs\n0.000000 0.000000 0.249898 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.750102 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.750000 Y\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.250000 Y\n0.000000 0.000000 0.000000 Ho\n0.000000 0.000000 0.378543 Cl\n0.500000 0.500000 0.128462 Cl\n0.000000 0.000000 0.879391 Cl\n0.500000 0.500000 0.628547 Cl\n0.257066 0.742934 0.249998 Cl\n0.758680 0.241320 0.000000 Cl\n0.257066 0.742934 0.750002 Cl\n0.757062 0.242938 0.500000 Cl\n0.742934 0.742934 0.249998 Cl\n0.241320 0.241320 0.000000 Cl\n0.742934 0.742934 0.750002 Cl\n0.242938 0.242938 0.500000 Cl\n0.000000 0.000000 0.120609 Cl\n0.500000 0.500000 0.871538 Cl\n0.000000 0.000000 0.621457 Cl\n0.500000 0.500000 0.371453 Cl\n0.742934 0.257066 0.249998 Cl\n0.241320 0.758680 0.000000 Cl\n0.742934 0.257066 0.750002 Cl\n0.242938 0.757062 0.500000 Cl\n0.257066 0.257066 0.249998 Cl\n0.758680 0.758680 0.000000 Cl\n0.257066 0.257066 0.750002 Cl\n0.757062 0.757062 0.500000 Cl\n",
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],
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{
"id": "mp-772671",
"created_at": "2022-09-04T14:46:54.116372Z",
"structure_string": "Li40 Cr8 O32\n1.0\n9.126515 0.000000 0.000000\n0.000000 9.179791 0.000000\n0.000000 0.000000 9.466796\nLi Cr O\n40 8 32\ndirect\n0.108559 0.607582 0.141136 Li\n0.108559 0.892418 0.641136 Li\n0.114732 0.111753 0.839734 Li\n0.114732 0.388247 0.339734 Li\n0.125011 0.851549 0.380346 Li\n0.125011 0.648451 0.880346 Li\n0.150410 0.872000 0.114038 Li\n0.150410 0.628000 0.614038 Li\n0.161168 0.115555 0.393897 Li\n0.161168 0.384445 0.893897 Li\n0.338832 0.884445 0.893897 Li\n0.338832 0.615555 0.393897 Li\n0.349590 0.372000 0.114038 Li\n0.349590 0.128000 0.614038 Li\n0.374989 0.351549 0.380346 Li\n0.374989 0.148451 0.880346 Li\n0.385268 0.888247 0.339734 Li\n0.385268 0.611753 0.839734 Li\n0.391441 0.107582 0.141136 Li\n0.391441 0.392418 0.641136 Li\n0.608559 0.607582 0.358864 Li\n0.608559 0.892418 0.858864 Li\n0.614732 0.111753 0.660266 Li\n0.614732 0.388247 0.160266 Li\n0.625011 0.648451 0.619654 Li\n0.625011 0.851549 0.119654 Li\n0.650410 0.628000 0.885962 Li\n0.650410 0.872000 0.385962 Li\n0.661168 0.115555 0.106103 Li\n0.661168 0.384445 0.606103 Li\n0.838832 0.615555 0.106103 Li\n0.838832 0.884445 0.606103 Li\n0.849590 0.372000 0.385962 Li\n0.849590 0.128000 0.885962 Li\n0.874989 0.148451 0.619654 Li\n0.874989 0.351549 0.119654 Li\n0.885268 0.611753 0.660266 Li\n0.885268 0.888247 0.160266 Li\n0.891441 0.107582 0.358864 Li\n0.891441 0.392418 0.858864 Li\n0.108268 0.147685 0.119267 Cr\n0.108268 0.352315 0.619267 Cr\n0.391732 0.647685 0.119267 Cr\n0.391732 0.852315 0.619267 Cr\n0.608268 0.147685 0.380733 Cr\n0.608268 0.352315 0.880733 Cr\n0.891732 0.647685 0.380733 Cr\n0.891732 0.852315 0.880733 Cr\n0.004563 0.249361 0.476452 O\n0.004563 0.250639 0.976452 O\n0.040375 0.002245 0.253283 O\n0.040375 0.497755 0.753283 O\n0.235922 0.035166 0.000163 O\n0.235922 0.464834 0.500163 O\n0.245579 0.240656 0.244782 O\n0.245579 0.259344 0.744782 O\n0.254421 0.740656 0.244782 O\n0.254421 0.759344 0.744782 O\n0.264078 0.535166 0.000163 O\n0.264078 0.964834 0.500163 O\n0.459625 0.502245 0.253283 O\n0.459625 0.997755 0.753283 O\n0.495437 0.749361 0.476452 O\n0.495437 0.750639 0.976452 O\n0.504563 0.249361 0.023548 O\n0.504563 0.250639 0.523548 O\n0.540375 0.002245 0.246717 O\n0.540375 0.497755 0.746717 O\n0.735922 0.035166 0.499837 O\n0.735922 0.464834 0.999837 O\n0.745579 0.240656 0.255218 O\n0.745579 0.259344 0.755218 O\n0.754421 0.740656 0.255218 O\n0.754421 0.759344 0.755218 O\n0.764078 0.535166 0.499837 O\n0.764078 0.964834 0.999837 O\n0.959625 0.502245 0.246717 O\n0.959625 0.997755 0.746717 O\n0.995437 0.749361 0.023548 O\n0.995437 0.750639 0.523548 O\n",
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{
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{
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{
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