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{
"id": "mp-779101",
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{
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-771979",
"created_at": "2022-09-04T14:42:53.737584Z",
"structure_string": "Li2 Si2 Sb2 C2 O14\n1.0\n6.464031 0.000000 0.000000\n0.000000 5.217339 0.000000\n0.000000 0.599983 9.000179\nLi Si Sb C O\n2 2 2 2 14\ndirect\n0.509023 0.770525 0.800707 Li\n0.009023 0.229475 0.199293 Li\n0.750068 0.275419 0.570283 Si\n0.250068 0.724581 0.429717 Si\n0.245640 0.202434 0.659821 Sb\n0.745640 0.797566 0.340179 Sb\n0.251661 0.276166 0.933082 C\n0.751661 0.723834 0.066918 C\n0.725339 0.685509 0.935566 O\n0.254160 0.044172 0.876238 O\n0.274656 0.465217 0.823619 O\n0.945536 0.201504 0.678305 O\n0.552211 0.173237 0.670461 O\n0.257800 0.855105 0.590158 O\n0.736055 0.588653 0.529382 O\n0.236055 0.411347 0.470618 O\n0.757800 0.144895 0.409842 O\n0.052211 0.826763 0.329539 O\n0.445536 0.798496 0.321695 O\n0.774656 0.534783 0.176381 O\n0.754160 0.955828 0.123762 O\n0.225339 0.314491 0.064434 O\n",
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"formula_full": "Li2 Si2 Sb2 C2 O14",
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{
"id": "mp-770349",
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"structure_string": "Li2 V2 Si2 C2 O14\n1.0\n6.373178 0.000000 0.000000\n0.000000 5.294004 0.000000\n0.000000 0.870660 8.120744\nLi V Si C O\n2 2 2 2 14\ndirect\n0.750000 0.237878 0.902663 Li\n0.250000 0.762122 0.097337 Li\n0.250000 0.205399 0.679921 V\n0.750000 0.794601 0.320079 V\n0.750000 0.257106 0.571942 Si\n0.250000 0.742894 0.428058 Si\n0.250000 0.313742 0.965607 C\n0.750000 0.686258 0.034393 C\n0.250000 0.074481 0.924651 O\n0.750000 0.623418 0.892233 O\n0.250000 0.476678 0.831986 O\n0.951318 0.205522 0.694116 O\n0.548682 0.205522 0.694116 O\n0.250000 0.917695 0.581157 O\n0.750000 0.556399 0.490686 O\n0.250000 0.443601 0.509314 O\n0.750000 0.082305 0.418843 O\n0.451318 0.794478 0.305884 O\n0.048682 0.794478 0.305884 O\n0.750000 0.523322 0.168014 O\n0.250000 0.376582 0.107767 O\n0.750000 0.925519 0.075349 O\n",
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"formula_full": "Li2 V2 Si2 C2 O14",
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{
"id": "mp-1215650",
"created_at": "2022-09-04T14:42:55.578925Z",
"structure_string": "Yb2 Ti2 Cd2 Sb2 O14\n1.0\n-3.601473 3.708917 5.172510\n3.601473 -3.708917 5.172510\n3.601473 3.708917 -5.172510\nYb Ti Cd Sb O\n2 2 2 2 14\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.120794 0.870794 0.250000 O\n0.879206 0.129206 0.750000 O\n0.429855 0.179855 0.250000 O\n0.829230 0.579230 0.250000 O\n0.432090 0.580321 0.259228 O\n0.821093 0.172861 0.240772 O\n0.432090 0.172861 0.851769 O\n0.821093 0.580321 0.648231 O\n0.570145 0.820145 0.750000 O\n0.170770 0.420770 0.750000 O\n0.567910 0.419679 0.740772 O\n0.178907 0.827139 0.759228 O\n0.567910 0.827139 0.148231 O\n0.178907 0.419679 0.351769 O\n",
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{
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"structure_string": "Na2 Si2 P2 C2 O14\n1.0\n6.036563 0.000000 0.000000\n0.000000 5.008150 0.000000\n0.000000 0.486092 9.536461\nNa Si P C O\n2 2 2 2 14\ndirect\n0.555273 0.775209 0.807055 Na\n0.055273 0.224791 0.192945 Na\n0.235956 0.222035 0.649236 Si\n0.735956 0.777965 0.350764 Si\n0.741551 0.265143 0.557035 P\n0.241551 0.734857 0.442965 P\n0.251022 0.295964 0.881939 C\n0.751022 0.704036 0.118061 C\n0.761581 0.662524 0.992915 O\n0.243072 0.057993 0.823498 O\n0.250140 0.481862 0.774844 O\n0.942263 0.215996 0.653524 O\n0.540554 0.208935 0.653544 O\n0.242845 0.917631 0.566962 O\n0.737891 0.562691 0.502196 O\n0.237891 0.437309 0.497804 O\n0.742845 0.082369 0.433038 O\n0.040554 0.791065 0.346456 O\n0.442263 0.784004 0.346476 O\n0.750140 0.518138 0.225156 O\n0.743072 0.942007 0.176502 O\n0.261581 0.337476 0.007085 O\n",
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{
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"structure_string": "K2 P2 W2 C2 O14\n1.0\n6.539530 0.000000 0.000000\n0.000000 5.341601 0.000000\n0.000000 0.431788 10.570475\nK P W C O\n2 2 2 2 14\ndirect\n0.606949 0.759855 0.790979 K\n0.106949 0.240145 0.209021 K\n0.725215 0.268145 0.564080 P\n0.225215 0.731855 0.435920 P\n0.223249 0.226541 0.651357 W\n0.723249 0.773459 0.348643 W\n0.262672 0.288685 0.887021 C\n0.762672 0.711315 0.112979 C\n0.790277 0.666645 0.001126 O\n0.245632 0.065120 0.837684 O\n0.250163 0.474103 0.791843 O\n0.911909 0.215125 0.652752 O\n0.538820 0.205329 0.651161 O\n0.229874 0.907061 0.547517 O\n0.717389 0.545464 0.519861 O\n0.217389 0.454536 0.480139 O\n0.729874 0.092939 0.452483 O\n0.038820 0.794671 0.348839 O\n0.411909 0.784875 0.347248 O\n0.750163 0.525897 0.208157 O\n0.745632 0.934880 0.162316 O\n0.290277 0.333355 0.998874 O\n",
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{
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"structure_string": "Li4 V4 P4 C4 O28\n1.0\n0.000090 6.245208 -0.000189\n0.295790 -0.000259 8.740619\n10.798755 0.000148 0.259009\nLi V P C O\n4 4 4 4 28\ndirect\n0.939807 0.182530 0.121469 Li\n0.939735 0.182434 0.621486 Li\n0.439788 0.817467 0.378514 Li\n0.439747 0.817576 0.878513 Li\n0.754492 0.333399 0.895122 V\n0.254552 0.666601 0.604945 V\n0.754056 0.333217 0.395126 V\n0.254246 0.666757 0.104899 V\n0.258565 0.442294 0.360960 P\n0.258908 0.442430 0.860966 P\n0.758673 0.557710 0.139042 P\n0.758936 0.557565 0.639039 P\n0.749433 0.060517 0.367034 C\n0.749370 0.060628 0.867050 C\n0.249451 0.939467 0.132950 C\n0.249365 0.939404 0.632933 C\n0.458721 0.339997 0.394905 O\n0.458888 0.340107 0.895000 O\n0.958815 0.659977 0.105105 O\n0.958911 0.659890 0.604999 O\n0.766687 0.124315 0.476265 O\n0.766786 0.124496 0.976321 O\n0.266718 0.875666 0.023726 O\n0.266813 0.875522 0.523690 O\n0.272754 0.830456 0.224601 O\n0.272872 0.830456 0.724504 O\n0.772722 0.169535 0.275389 O\n0.772862 0.169571 0.775506 O\n0.564314 0.658477 0.100978 O\n0.564700 0.658609 0.600961 O\n0.064235 0.341533 0.399014 O\n0.064657 0.341414 0.899032 O\n0.770824 0.411326 0.066451 O\n0.770574 0.411214 0.566382 O\n0.270845 0.588671 0.433545 O\n0.270605 0.588789 0.933606 O\n0.259604 0.481793 0.220414 O\n0.259761 0.481665 0.720385 O\n0.759573 0.518206 0.279579 O\n0.759751 0.518332 0.779617 O\n0.707764 0.925353 0.352273 O\n0.707585 0.925517 0.852481 O\n0.207763 0.074622 0.147699 O\n0.207573 0.074496 0.647521 O\n",
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{
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.252842 0.000000 0.000000\n-0.212672 9.088036 0.000000\n-0.042712 -0.361849 10.467371\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.467291 0.240716 0.376229 Na\n0.028638 0.241412 0.876891 Na\n0.974238 0.759697 0.119577 Na\n0.974976 0.760715 0.621665 Na\n0.748283 0.342151 0.108782 Mn\n0.751674 0.342043 0.609031 Mn\n0.260469 0.657831 0.391576 Mn\n0.264563 0.658298 0.891514 Mn\n0.251063 0.433063 0.141464 P\n0.251070 0.432651 0.641583 P\n0.753288 0.567484 0.358905 P\n0.756246 0.567403 0.858911 P\n0.745685 0.076485 0.134459 C\n0.740156 0.076183 0.634694 C\n0.244369 0.922503 0.365232 C\n0.258208 0.923665 0.865251 C\n0.231958 0.056059 0.349940 O\n0.253527 0.057284 0.850081 O\n0.750468 0.140952 0.023717 O\n0.733969 0.141022 0.524028 O\n0.740641 0.176856 0.229317 O\n0.745611 0.176758 0.729710 O\n0.056342 0.330098 0.104107 O\n0.442667 0.332037 0.113248 O\n0.056423 0.325761 0.615373 O\n0.442768 0.335777 0.602800 O\n0.250788 0.474158 0.287285 O\n0.745503 0.425041 0.434268 O\n0.253206 0.474482 0.787307 O\n0.757908 0.425048 0.934265 O\n0.250029 0.575097 0.065652 O\n0.762319 0.526569 0.213121 O\n0.241774 0.574152 0.565439 O\n0.763190 0.526557 0.713112 O\n0.563430 0.669044 0.389698 O\n0.949455 0.669425 0.394886 O\n0.566868 0.667700 0.891903 O\n0.952770 0.671002 0.892826 O\n0.249802 0.821852 0.270489 O\n0.260261 0.822625 0.770484 O\n0.253889 0.858745 0.476236 O\n0.260601 0.859206 0.976225 O\n0.746045 0.942138 0.149408 O\n0.743374 0.942260 0.649311 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
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},
{
"id": "mp-1176660",
"created_at": "2022-09-04T14:39:14.287006Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n-6.214201 0.000000 0.000000\n0.199388 9.696638 0.000000\n-0.091816 -4.718273 -9.017935\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.017653 0.765719 0.763567 Li\n0.489451 0.759956 0.259609 Li\n0.512163 0.231234 0.737232 Li\n0.520291 0.240558 0.241716 Li\n0.751406 0.660610 0.932596 Mn\n0.744781 0.661872 0.434485 Mn\n0.244320 0.338204 0.567853 Mn\n0.253976 0.338755 0.066948 Mn\n0.254853 0.571680 0.924257 P\n0.249440 0.570728 0.424575 P\n0.754704 0.427174 0.575671 P\n0.743582 0.429230 0.075795 P\n0.744999 0.934850 0.609573 C\n0.736311 0.933638 0.106525 C\n0.239611 0.066536 0.889886 C\n0.285177 0.067311 0.392977 C\n0.771300 0.877398 0.962737 O\n0.743163 0.878368 0.463849 O\n0.223108 0.928546 0.797757 O\n0.770221 0.819259 0.644013 O\n0.303795 0.929789 0.301991 O\n0.723050 0.816991 0.141183 O\n0.061099 0.678125 0.947227 O\n0.448505 0.669695 0.914675 O\n0.048534 0.657613 0.419438 O\n0.436401 0.687258 0.441366 O\n0.799985 0.581072 0.717874 O\n0.242675 0.536201 0.559412 O\n0.715343 0.583719 0.219412 O\n0.283253 0.537128 0.058312 O\n0.725382 0.462658 0.940696 O\n0.231558 0.415080 0.781884 O\n0.713912 0.463653 0.444140 O\n0.277715 0.415954 0.281377 O\n0.941791 0.312506 0.539307 O\n0.556866 0.338854 0.596459 O\n0.561868 0.310700 0.065813 O\n0.950004 0.345427 0.073046 O\n0.263468 0.183399 0.856200 O\n0.722637 0.072246 0.700537 O\n0.289577 0.184766 0.359457 O\n0.715570 0.071628 0.195892 O\n0.256409 0.121821 0.537388 O\n0.232460 0.122090 0.035298 O\n",
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"volume": 543.3924247464131,
"volume_molar": 7.43724015850138,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
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"updated_at": "2021-11-28T01:34:38.934000Z",
"spacegroup": 1
},
{
"id": "mp-1178159",
"created_at": "2022-09-04T14:48:00.633754Z",
"structure_string": "K2 Cr2 P2 C2 O14\n1.0\n10.424134 0.004888 -0.125316\n0.003005 6.258439 -0.001274\n0.175755 -0.001011 5.258706\nK Cr P C O\n2 2 2 2 14\ndirect\n0.210302 0.382456 0.235188 K\n0.789692 0.881950 0.764532 K\n0.358098 0.771726 0.780366 Cr\n0.641899 0.270656 0.219771 Cr\n0.442612 0.267369 0.719523 P\n0.557336 0.766824 0.280658 P\n0.132436 0.753223 0.707196 C\n0.867635 0.252885 0.292632 C\n0.982502 0.236941 0.335779 O\n0.185266 0.762505 0.935315 O\n0.226899 0.759595 0.527324 O\n0.351386 0.074232 0.774801 O\n0.353229 0.460936 0.778006 O\n0.440876 0.762902 0.107208 O\n0.482327 0.269153 0.435793 O\n0.517676 0.769334 0.564428 O\n0.559019 0.262545 0.893066 O\n0.646978 0.959879 0.222132 O\n0.648290 0.573146 0.225480 O\n0.773309 0.259111 0.472727 O\n0.814564 0.261633 0.064620 O\n0.017670 0.736696 0.663455 O\n",
"nsites": 22,
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],
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"density": 2.3811499588279674,
"density_atomic": 0.06410079819780168,
"volume": 343.2094547732868,
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"formula_full": "K2 Cr2 P2 C2 O14",
"formula_reduced": "KCrPCO7",
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},
{
"id": "mp-768164",
"created_at": "2022-09-04T14:43:52.464355Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n6.232561 0.000000 0.000000\n0.000000 5.065508 0.000000\n0.000000 0.683766 8.595755\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.474901 0.771860 0.816669 Li\n0.974901 0.228140 0.183331 Li\n0.248515 0.211202 0.662667 Ge\n0.748515 0.788798 0.337333 Ge\n0.754219 0.265251 0.568933 P\n0.254219 0.734749 0.431067 P\n0.253290 0.274738 0.934310 C\n0.753290 0.725262 0.065690 C\n0.730764 0.686145 0.927842 O\n0.255191 0.038993 0.873833 O\n0.271001 0.467701 0.817245 O\n0.948469 0.196077 0.673525 O\n0.558634 0.179595 0.669695 O\n0.259800 0.873494 0.584887 O\n0.747366 0.570676 0.522824 O\n0.247366 0.429324 0.477176 O\n0.759800 0.126506 0.415113 O\n0.058634 0.820405 0.330305 O\n0.448469 0.803923 0.326475 O\n0.771001 0.532299 0.182755 O\n0.755191 0.961007 0.126167 O\n0.230764 0.313855 0.072158 O\n",
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"elements": [
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],
"chemical_system": "C-Ge-Li-O-P",
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"formula_full": "Li2 Ge2 P2 C2 O14",
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"updated_at": "2021-11-28T01:36:23.275000Z",
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}
]
}