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{
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"structure_string": "K3 Rh1\n1.0\n-2.855555 2.855555 4.273458\n2.855555 -2.855555 4.273458\n2.855555 2.855555 -4.273458\nK Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rh\n",
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{
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{
"id": "mp-770871",
"created_at": "2022-09-04T14:44:21.804320Z",
"structure_string": "Li12 Cr4 O14\n1.0\n5.058934 0.000000 0.000000\n0.000000 7.870244 0.000000\n0.000000 3.971511 8.191761\nLi Cr O\n12 4 14\ndirect\n0.200996 0.335762 0.882640 Li\n0.809633 0.580764 0.856121 Li\n0.808890 0.070154 0.834418 Li\n0.809633 0.419236 0.643879 Li\n0.200996 0.664238 0.617360 Li\n0.808890 0.929846 0.665582 Li\n0.191110 0.070154 0.334418 Li\n0.799004 0.335762 0.382640 Li\n0.190367 0.580764 0.356121 Li\n0.191110 0.929846 0.165582 Li\n0.190367 0.419236 0.143879 Li\n0.799004 0.664238 0.117360 Li\n0.312630 0.780602 0.904166 Cr\n0.312630 0.219398 0.595834 Cr\n0.687370 0.780602 0.404166 Cr\n0.687370 0.219398 0.095834 Cr\n0.803342 0.280326 0.893754 O\n0.214260 0.595055 0.857121 O\n0.665600 0.810930 0.893696 O\n0.214260 0.404945 0.642879 O\n0.152006 0.000000 0.750000 O\n0.803342 0.719674 0.606246 O\n0.665600 0.189070 0.606304 O\n0.334400 0.810930 0.393696 O\n0.196658 0.280326 0.393754 O\n0.847994 0.000000 0.250000 O\n0.785740 0.595055 0.357121 O\n0.334400 0.189070 0.106304 O\n0.785740 0.404945 0.142879 O\n0.196658 0.719674 0.106246 O\n",
"nsites": 30,
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"elements": [
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"density": 2.6233593581598202,
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"volume": 326.1553325157226,
"volume_molar": 6.547177740114287,
"formula_full": "Li12 Cr4 O14",
"formula_reduced": "Li6Cr2O7",
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"energy": -195.47335397,
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"spacegroup": 13
},
{
"id": "mp-14150",
"created_at": "2022-09-04T14:42:48.149899Z",
"structure_string": "Ca4 Al6 S1 O16\n1.0\n-4.587895 4.587895 4.587895\n4.587895 -4.587895 4.587895\n4.587895 4.587895 -4.587895\nCa Al S O\n4 6 1 16\ndirect\n0.000000 0.623556 0.000000 Ca\n0.000000 0.000000 0.623556 Ca\n0.623556 0.000000 0.000000 Ca\n0.376444 0.376444 0.376444 Ca\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.500000 0.250000 0.750000 Al\n0.750000 0.500000 0.250000 Al\n0.500000 0.750000 0.250000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 S\n0.000000 0.717343 0.424726 O\n0.707383 0.282657 0.282657 O\n0.000000 0.424726 0.717343 O\n0.575274 0.575274 0.292617 O\n0.575274 0.292617 0.575274 O\n0.424726 0.000000 0.717343 O\n0.282657 0.282657 0.707383 O\n0.717343 0.000000 0.424726 O\n0.717343 0.424726 0.000000 O\n0.282657 0.707383 0.282657 O\n0.424726 0.717343 0.000000 O\n0.812079 0.812079 0.812079 O\n0.187921 0.000000 0.000000 O\n0.000000 0.187921 0.000000 O\n0.000000 0.000000 0.187921 O\n0.292617 0.575274 0.575274 O\n",
"nsites": 27,
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],
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"formula_full": "Ca4 Al6 S1 O16",
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"updated_at": "2021-11-28T01:35:53.972000Z",
"spacegroup": 217
},
{
"id": "mp-1113839",
"created_at": "2022-09-04T14:44:08.334683Z",
"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n0.000000 5.136254 5.136254\n5.136254 0.000000 5.136254\n5.136254 5.136254 0.000000\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.745645 0.254355 0.254355 Cl\n0.254355 0.254355 0.745645 Cl\n0.254355 0.745645 0.745645 Cl\n0.254355 0.745645 0.254355 Cl\n0.745645 0.254355 0.745645 Cl\n0.745645 0.745645 0.254355 Cl\n",
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"Cl"
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"formula_full": "Na2 Li1 Dy1 Cl6",
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{
"id": "mp-758201",
"created_at": "2022-09-04T14:45:25.412991Z",
"structure_string": "Li4 Ti4 P8 O28\n1.0\n8.202030 0.000000 0.000000\n0.000000 5.270453 0.000000\n0.000000 5.258624 13.397854\nLi Ti P O\n4 4 8 28\ndirect\n0.763525 0.057247 0.744088 Li\n0.263525 0.942753 0.755912 Li\n0.736475 0.057247 0.244088 Li\n0.236475 0.942753 0.255912 Li\n0.650705 0.673735 0.124232 Ti\n0.150705 0.326265 0.375768 Ti\n0.849295 0.673735 0.624232 Ti\n0.349295 0.326265 0.875768 Ti\n0.796056 0.327986 0.477901 P\n0.542174 0.457296 0.322006 P\n0.042174 0.542704 0.177994 P\n0.296056 0.672014 0.022099 P\n0.703944 0.327986 0.977901 P\n0.957826 0.457296 0.822006 P\n0.457826 0.542704 0.677994 P\n0.203944 0.672014 0.522099 P\n0.936498 0.262682 0.766890 O\n0.635727 0.720612 0.262446 O\n0.180972 0.405471 0.506377 O\n0.414217 0.708024 0.099779 O\n0.363458 0.522344 0.336596 O\n0.294975 0.925169 0.924252 O\n0.613720 0.329740 0.433598 O\n0.113720 0.670260 0.066402 O\n0.794975 0.074831 0.575748 O\n0.863458 0.477656 0.163404 O\n0.914217 0.291976 0.400221 O\n0.680972 0.594529 0.993623 O\n0.135727 0.279388 0.237554 O\n0.436498 0.737318 0.733110 O\n0.563502 0.262682 0.266890 O\n0.864273 0.720612 0.762446 O\n0.319028 0.405471 0.006377 O\n0.085783 0.708024 0.599779 O\n0.136542 0.522344 0.836596 O\n0.205025 0.925169 0.424252 O\n0.886280 0.329740 0.933598 O\n0.386280 0.670260 0.566402 O\n0.705025 0.074831 0.075748 O\n0.636542 0.477656 0.663404 O\n0.585783 0.291976 0.900221 O\n0.819028 0.594529 0.493623 O\n0.364273 0.279388 0.737554 O\n0.063502 0.737318 0.233110 O\n",
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"formula_full": "Li4 Ti4 P8 O28",
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"spacegroup": 14
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{
"id": "mp-1181674",
"created_at": "2022-09-04T14:47:24.877704Z",
"structure_string": "K4 Zn8 P8 O42\n1.0\n9.231201 0.000000 0.000000\n-4.602461 8.328026 0.000000\n-3.008209 -2.236752 13.168516\nK Zn P O\n4 8 8 42\ndirect\n0.336096 0.077251 0.681495 K\n0.663904 0.922749 0.318505 K\n0.361283 0.396995 0.120905 K\n0.638717 0.603005 0.879095 K\n0.597678 0.427171 0.479750 Zn\n0.402322 0.572829 0.520250 Zn\n0.014668 0.258656 0.257209 Zn\n0.985332 0.741344 0.742791 Zn\n0.750618 0.039853 0.964431 Zn\n0.249382 0.960147 0.035569 Zn\n0.983504 0.166153 0.642488 Zn\n0.016496 0.833847 0.357512 Zn\n0.176460 0.199317 0.462529 P\n0.823540 0.800683 0.537471 P\n0.659162 0.224820 0.117585 P\n0.340838 0.775180 0.882415 P\n0.037868 0.054748 0.860665 P\n0.962132 0.945252 0.139335 P\n0.771030 0.343611 0.679653 P\n0.228970 0.656389 0.320347 P\n0.341238 0.350230 0.446591 O\n0.658762 0.649770 0.553409 O\n0.178558 0.235745 0.576401 O\n0.821442 0.764255 0.423599 O\n0.188838 0.044700 0.448601 O\n0.811162 0.955300 0.551399 O\n0.016033 0.187596 0.390656 O\n0.983967 0.812404 0.609344 O\n0.682463 0.398085 0.129926 O\n0.317537 0.601915 0.870074 O\n0.774833 0.196307 0.203604 O\n0.225167 0.803693 0.796396 O\n0.677786 0.181669 0.013289 O\n0.322214 0.818331 0.986711 O\n0.472210 0.129668 0.128661 O\n0.527790 0.870332 0.871339 O\n0.098252 0.132681 0.769718 O\n0.901748 0.867319 0.230282 O\n0.934015 0.120035 0.899443 O\n0.065985 0.879965 0.100557 O\n0.207281 0.108943 0.948842 O\n0.792719 0.891057 0.051158 O\n0.932684 0.865435 0.833979 O\n0.067316 0.134565 0.166021 O\n0.828172 0.512650 0.737079 O\n0.171828 0.487350 0.262921 O\n0.633972 0.304534 0.576883 O\n0.366028 0.695466 0.423117 O\n0.684447 0.215834 0.745040 O\n0.315553 0.784166 0.254960 O\n0.923108 0.331817 0.659010 O\n0.076892 0.668183 0.340990 O\n0.754460 0.300027 0.389870 O\n0.245540 0.699973 0.610130 O\n0.624561 0.506564 0.353544 O\n0.375439 0.493436 0.646456 O\n0.393220 0.818806 0.636546 O\n0.606780 0.181194 0.363454 O\n0.032055 0.458945 0.990754 O\n0.967945 0.541055 0.009246 O\n0.423770 0.246184 0.880831 O\n0.576230 0.753816 0.119169 O\n",
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"formula_full": "K4 Zn8 P8 O42",
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{
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{
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{
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}