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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",
"nsites": 80,
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"elements": [
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],
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"density": 2.524107261685392,
"density_atomic": 0.10086702293026126,
"volume": 793.1234379278887,
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"formula_full": "Li40 Cr8 O32",
"formula_reduced": "Li5CrO4",
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"updated_at": "2021-11-28T01:37:47.556000Z",
"spacegroup": 61
},
{
"id": "mp-760067",
"created_at": "2022-09-04T14:46:37.202220Z",
"structure_string": "Ba4 Li2 V2 P4 O18\n1.0\n2.696907 9.135793 0.000000\n-2.696907 9.135793 0.000000\n0.000000 3.325894 9.181307\nBa Li V P O\n4 2 2 4 18\ndirect\n0.708687 0.691337 0.421873 Ba\n0.691337 0.708687 0.921873 Ba\n0.375515 0.358029 0.585631 Ba\n0.358029 0.375515 0.085631 Ba\n0.599774 0.484253 0.311553 Li\n0.484253 0.599774 0.811553 Li\n0.975760 0.088296 0.999372 V\n0.088296 0.975760 0.499372 V\n0.929156 0.873190 0.325949 P\n0.873190 0.929156 0.825949 P\n0.194627 0.129595 0.675103 P\n0.129595 0.194627 0.175103 P\n0.966556 0.212060 0.308378 O\n0.973481 0.413865 0.701617 O\n0.974234 0.472892 0.150753 O\n0.635757 0.429066 0.983993 O\n0.928205 0.925517 0.462417 O\n0.925517 0.928205 0.962417 O\n0.871548 0.076460 0.691966 O\n0.429066 0.635757 0.483993 O\n0.644575 0.082986 0.305909 O\n0.590516 0.092032 0.852474 O\n0.472892 0.974234 0.650753 O\n0.413865 0.973481 0.201617 O\n0.212060 0.966556 0.808378 O\n0.152489 0.122749 0.537308 O\n0.122749 0.152489 0.037308 O\n0.092032 0.590516 0.352474 O\n0.082986 0.644575 0.805909 O\n0.076460 0.871548 0.191966 O\n",
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"elements": [
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"volume_molar": 9.081892854624817,
"formula_full": "Ba4 Li2 V2 P4 O18",
"formula_reduced": "Ba2LiVP2O9",
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{
"id": "mp-1190858",
"created_at": "2022-09-04T14:46:24.898211Z",
"structure_string": "Ba2 Fe4 P8 O28\n1.0\n-6.077727 0.002088 -4.540552\n-1.376770 7.727204 4.715756\n4.722218 7.734786 -3.276863\nBa Fe P O\n2 4 8 28\ndirect\n0.999997 0.000000 0.999998 Ba\n0.499998 0.500001 0.500000 Ba\n0.080979 0.457384 0.772311 Fe\n0.919016 0.542625 0.227672 Fe\n0.580973 0.957368 0.272340 Fe\n0.419026 0.042636 0.727670 Fe\n0.695156 0.215011 0.450328 P\n0.195163 0.715017 0.950314 P\n0.804838 0.284982 0.049683 P\n0.304844 0.784988 0.549673 P\n0.421932 0.237339 0.954342 P\n0.921916 0.737343 0.454342 P\n0.078084 0.262658 0.545658 P\n0.578071 0.762659 0.045661 P\n0.591548 0.120612 0.358862 O\n0.091557 0.620620 0.858860 O\n0.908442 0.379379 0.141138 O\n0.408450 0.879384 0.641140 O\n0.613833 0.185673 0.595753 O\n0.113837 0.685683 0.095739 O\n0.886166 0.314320 0.904259 O\n0.386165 0.814328 0.404249 O\n0.716719 0.401953 0.356114 O\n0.216705 0.901946 0.856119 O\n0.783295 0.098055 0.143879 O\n0.283281 0.598049 0.643891 O\n0.896276 0.158041 0.502852 O\n0.396277 0.658044 0.002849 O\n0.603723 0.341953 0.997149 O\n0.103726 0.841961 0.497148 O\n0.764048 0.827560 0.437792 O\n0.264050 0.327553 0.937803 O\n0.735956 0.672449 0.062198 O\n0.235951 0.172439 0.562210 O\n0.054047 0.272684 0.695997 O\n0.554059 0.772696 0.195989 O\n0.445943 0.227301 0.804014 O\n0.945949 0.727313 0.304008 O\n0.398171 0.069434 0.090638 O\n0.898175 0.569429 0.590641 O\n0.101822 0.430572 0.409358 O\n0.601833 0.930561 0.909363 O\n",
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"formula_full": "Ba2 Fe4 P8 O28",
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{
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"created_at": "2022-09-04T14:46:39.414923Z",
"structure_string": "Ni4 As8 O16\n1.0\n8.339128 0.000000 0.000000\n0.000000 8.339128 0.000000\n0.000000 0.000000 5.756192\nNi As O\n4 8 16\ndirect\n0.500000 0.000000 0.250000 Ni\n0.000000 0.500000 0.750000 Ni\n0.500000 0.000000 0.750000 Ni\n0.000000 0.500000 0.250000 Ni\n0.171091 0.184629 0.000000 As\n0.184629 0.828909 0.500000 As\n0.828909 0.815371 0.000000 As\n0.815371 0.171091 0.500000 As\n0.328909 0.684629 0.000000 As\n0.671091 0.315371 0.000000 As\n0.684629 0.671091 0.500000 As\n0.315371 0.328909 0.500000 As\n0.318275 0.181725 0.250000 O\n0.181725 0.681725 0.750000 O\n0.681725 0.818275 0.250000 O\n0.818275 0.318275 0.750000 O\n0.681725 0.818275 0.750000 O\n0.818275 0.318275 0.250000 O\n0.318275 0.181725 0.750000 O\n0.181725 0.681725 0.250000 O\n0.636794 0.106676 0.000000 O\n0.106676 0.363206 0.500000 O\n0.363206 0.893324 0.000000 O\n0.893324 0.636794 0.500000 O\n0.863206 0.606676 0.000000 O\n0.136794 0.393324 0.000000 O\n0.606676 0.136794 0.500000 O\n0.393324 0.863206 0.500000 O\n",
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},
{
"id": "mp-1216826",
"created_at": "2022-09-04T14:46:39.440802Z",
"structure_string": "V1 Fe2 Se4\n1.0\n1.696939 6.463852 0.000000\n-1.696939 6.463852 0.000000\n0.000000 2.747254 5.484485\nV Fe Se\n1 2 4\ndirect\n0.754020 0.754020 0.183032 V\n0.501023 0.501023 0.496724 Fe\n0.243336 0.243336 0.820921 Fe\n0.862698 0.862698 0.479071 Se\n0.139895 0.139895 0.524630 Se\n0.394496 0.394496 0.941033 Se\n0.604532 0.604532 0.054590 Se\n",
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{
"id": "mp-768832",
"created_at": "2022-09-04T14:46:54.122365Z",
"structure_string": "Li4 Cu4 S6 O24\n1.0\n4.189885 6.711285 0.000000\n-4.189885 6.711285 0.000000\n0.000000 4.609403 8.012499\nLi Cu S O\n4 4 6 24\ndirect\n0.674554 0.859601 0.049577 Li\n0.859601 0.674554 0.549577 Li\n0.140399 0.325446 0.450423 Li\n0.325446 0.140399 0.950423 Li\n0.363272 0.869185 0.476667 Cu\n0.869185 0.363272 0.976667 Cu\n0.130815 0.636728 0.023333 Cu\n0.636728 0.130815 0.523333 Cu\n0.752076 0.542884 0.326586 S\n0.542884 0.752076 0.826586 S\n0.048305 0.951695 0.250000 S\n0.951695 0.048305 0.750000 S\n0.457116 0.247924 0.173414 S\n0.247924 0.457116 0.673414 S\n0.853702 0.961255 0.386147 O\n0.961255 0.853702 0.886147 O\n0.868658 0.495254 0.435448 O\n0.605104 0.746229 0.315606 O\n0.874666 0.559610 0.146502 O\n0.495254 0.868658 0.935448 O\n0.204352 0.915193 0.314665 O\n0.653560 0.397517 0.378929 O\n0.746229 0.605104 0.815606 O\n0.559610 0.874666 0.646502 O\n0.915193 0.204352 0.814665 O\n0.602483 0.346440 0.121071 O\n0.397517 0.653560 0.878929 O\n0.084807 0.795648 0.185335 O\n0.440390 0.125334 0.353498 O\n0.253771 0.394896 0.184394 O\n0.346440 0.602483 0.621071 O\n0.795648 0.084807 0.685335 O\n0.504746 0.131342 0.064552 O\n0.125334 0.440390 0.853498 O\n0.394896 0.253771 0.684394 O\n0.131342 0.504746 0.564552 O\n0.038745 0.146298 0.113853 O\n0.146298 0.038745 0.613853 O\n",
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"formula_full": "Li4 Cu4 S6 O24",
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{
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