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{
"id": "mp-756953",
"created_at": "2022-09-04T14:45:15.386280Z",
"structure_string": "K2 Sb2 P2 C2 O14\n1.0\n6.654382 0.000000 0.000000\n0.000000 5.795271 0.000000\n0.000000 0.235799 10.137556\nK Sb P C O\n2 2 2 2 14\ndirect\n0.435098 0.235962 0.789244 K\n0.935098 0.764038 0.210756 K\n0.774367 0.784549 0.639132 Sb\n0.274367 0.215451 0.360868 Sb\n0.269013 0.725328 0.558378 P\n0.769013 0.274672 0.441622 P\n0.734171 0.717533 0.888358 C\n0.234171 0.282467 0.111642 C\n0.208457 0.308187 0.992138 O\n0.751518 0.925227 0.825543 O\n0.746513 0.544340 0.802090 O\n0.091289 0.798406 0.649925 O\n0.454030 0.804643 0.640617 O\n0.759826 0.147696 0.578126 O\n0.273567 0.461877 0.539951 O\n0.773567 0.538123 0.460049 O\n0.259826 0.852304 0.421874 O\n0.954030 0.195357 0.359383 O\n0.591289 0.201594 0.350075 O\n0.246513 0.455660 0.197910 O\n0.251518 0.074773 0.174457 O\n0.708457 0.691813 0.007862 O\n",
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"formula_full": "K2 Sb2 P2 C2 O14",
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"spacegroup": 4
},
{
"id": "mp-756529",
"created_at": "2022-09-04T14:40:27.710241Z",
"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n5.185178 0.000000 0.000000\n-0.100726 6.228844 0.000000\n-0.558575 -0.140895 8.586495\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.772612 0.958024 0.211331 Li\n0.227388 0.041976 0.788669 Li\n0.209032 0.744648 0.337752 Mn\n0.790968 0.255352 0.662248 Mn\n0.277193 0.244669 0.431218 P\n0.722807 0.755331 0.568782 P\n0.264161 0.771263 0.062274 C\n0.735839 0.228737 0.937726 C\n0.705964 0.196057 0.074602 O\n0.038861 0.747878 0.124651 O\n0.455465 0.756433 0.172265 O\n0.193316 0.054533 0.319261 O\n0.202743 0.441321 0.334293 O\n0.572786 0.235061 0.472259 O\n0.861347 0.765862 0.413518 O\n0.138653 0.234138 0.586482 O\n0.427214 0.764939 0.527741 O\n0.797257 0.558679 0.665707 O\n0.806684 0.945467 0.680739 O\n0.544535 0.243567 0.827735 O\n0.961139 0.252122 0.875349 O\n0.294036 0.803943 0.925398 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.596989020021681,
"density_atomic": 0.07932966778209175,
"volume": 277.32373795426867,
"volume_molar": 7.591284482045275,
"formula_full": "Li2 Mn2 P2 C2 O14",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -168.88683416,
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"updated_at": "2021-11-28T01:34:58.139000Z",
"spacegroup": 2
},
{
"id": "mp-768697",
"created_at": "2022-09-04T14:42:14.861836Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n5.116681 0.000000 0.000000\n-0.029547 6.237034 0.000000\n-1.238175 -0.285238 16.623943\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.755988 0.967068 0.130701 Li\n0.242380 0.472427 0.369018 Li\n0.753714 0.528008 0.630820 Li\n0.247795 0.468835 0.871393 Li\n0.206144 0.254075 0.164678 Mn\n0.794385 0.761864 0.335364 Mn\n0.206181 0.247693 0.664685 Mn\n0.794136 0.747112 0.835090 Mn\n0.276561 0.751465 0.212658 P\n0.723546 0.253012 0.287448 P\n0.276300 0.744244 0.713153 P\n0.723849 0.251938 0.786829 P\n0.289598 0.245365 0.024794 C\n0.710635 0.736503 0.474740 C\n0.290036 0.260813 0.524817 C\n0.709112 0.751231 0.974916 C\n0.054408 0.246783 0.052126 O\n0.660452 0.763124 0.046092 O\n0.471160 0.229243 0.085882 O\n0.174850 0.942786 0.161311 O\n0.207947 0.556752 0.156907 O\n0.856645 0.233964 0.207594 O\n0.578215 0.773520 0.232483 O\n0.422103 0.273043 0.267648 O\n0.143127 0.739661 0.292398 O\n0.791744 0.064355 0.343593 O\n0.826893 0.449580 0.338342 O\n0.528485 0.735892 0.413459 O\n0.336950 0.277031 0.453955 O\n0.945190 0.754223 0.447911 O\n0.055790 0.240956 0.552053 O\n0.662404 0.722412 0.545929 O\n0.472366 0.262345 0.586263 O\n0.207257 0.944824 0.665050 O\n0.175747 0.557822 0.655138 O\n0.858079 0.264570 0.707090 O\n0.577613 0.719683 0.732511 O\n0.422862 0.277567 0.767346 O\n0.142440 0.732262 0.792959 O\n0.791313 0.050969 0.834796 O\n0.825546 0.438123 0.844958 O\n0.527853 0.731466 0.913599 O\n0.338133 0.262399 0.953883 O\n0.944068 0.760620 0.947624 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 2.7151051909805717,
"density_atomic": 0.08293773717692626,
"volume": 530.5184527296344,
"volume_molar": 7.261038177534693,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:35:41.272000Z",
"spacegroup": 1
},
{
"id": "mp-773502",
"created_at": "2022-09-04T14:40:39.427541Z",
"structure_string": "K2 Co2 P2 C2 O14\n1.0\n6.083593 0.000000 0.000000\n0.000000 5.281263 0.000000\n0.000000 0.298628 9.920724\nK Co P C O\n2 2 2 2 14\ndirect\n0.597420 0.755414 0.762277 K\n0.097420 0.244586 0.237723 K\n0.229422 0.225709 0.650357 Co\n0.729422 0.774291 0.349643 Co\n0.734568 0.278908 0.556459 P\n0.234568 0.721092 0.443541 P\n0.251075 0.280240 0.885964 C\n0.751075 0.719760 0.114036 C\n0.778457 0.687788 0.993306 O\n0.241387 0.060811 0.826186 O\n0.231976 0.463608 0.792040 O\n0.925025 0.223964 0.660184 O\n0.539561 0.230771 0.657481 O\n0.238159 0.892296 0.564300 O\n0.735100 0.562988 0.513499 O\n0.235100 0.437012 0.486501 O\n0.738159 0.107704 0.435700 O\n0.039561 0.769229 0.342519 O\n0.425025 0.776036 0.339816 O\n0.731976 0.536392 0.207960 O\n0.741387 0.939189 0.173814 O\n0.278457 0.312212 0.006694 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-Co-K-O-P",
"density": 2.636200762628632,
"density_atomic": 0.06902101895850139,
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"formula_full": "K2 Co2 P2 C2 O14",
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"updated_at": "2021-11-28T01:35:06.507000Z",
"spacegroup": 4
},
{
"id": "mp-769599",
"created_at": "2022-09-04T14:42:10.658504Z",
"structure_string": "Na2 Cr2 P2 C2 O14\n1.0\n6.298476 0.000000 0.000000\n0.000000 5.282538 0.000000\n0.000000 0.342902 9.060022\nNa Cr P C O\n2 2 2 2 14\ndirect\n0.522719 0.762445 0.767876 Na\n0.022719 0.237555 0.232124 Na\n0.235772 0.213733 0.659880 Cr\n0.735772 0.786267 0.340120 Cr\n0.742965 0.279838 0.566384 P\n0.242965 0.720162 0.433616 P\n0.256102 0.271586 0.920826 C\n0.756102 0.728414 0.079174 C\n0.757055 0.688195 0.946811 O\n0.250219 0.049204 0.859322 O\n0.258802 0.455824 0.812334 O\n0.938862 0.219042 0.667008 O\n0.550143 0.204537 0.663675 O\n0.254396 0.879929 0.572589 O\n0.735114 0.565211 0.524518 O\n0.235114 0.434789 0.475482 O\n0.754396 0.120071 0.427411 O\n0.050143 0.795463 0.336325 O\n0.438862 0.780958 0.332992 O\n0.758802 0.544176 0.187666 O\n0.750219 0.950796 0.140678 O\n0.257055 0.311805 0.053189 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Na2 Cr2 P2 C2 O14",
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{
"id": "mp-39419",
"created_at": "2022-09-04T14:41:25.720894Z",
"structure_string": "Nd4 Ti4 Cd4 Sb4 O28\n1.0\n7.364142 0.000000 0.000000\n0.000000 7.364142 0.000000\n0.000000 0.000000 10.467237\nNd Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.736142 0.000000 Nd\n0.263858 0.000000 0.250000 Nd\n0.000000 0.263858 0.500000 Nd\n0.736142 0.000000 0.750000 Nd\n0.761612 0.000000 0.250000 Ti\n0.000000 0.761612 0.500000 Ti\n0.238388 0.000000 0.750000 Ti\n0.000000 0.238388 0.000000 Ti\n0.500000 0.735754 0.000000 Cd\n0.500000 0.264246 0.500000 Cd\n0.735754 0.500000 0.750000 Cd\n0.264246 0.500000 0.250000 Cd\n0.244055 0.500000 0.750000 Sb\n0.500000 0.755945 0.500000 Sb\n0.500000 0.244055 0.000000 Sb\n0.755945 0.500000 0.250000 Sb\n0.260695 0.739305 0.125000 O\n0.555190 0.945619 0.369400 O\n0.739305 0.260695 0.625000 O\n0.952576 0.952576 0.375000 O\n0.054381 0.444810 0.880600 O\n0.047424 0.047424 0.875000 O\n0.047424 0.952576 0.625000 O\n0.249563 0.235944 0.071717 O\n0.235944 0.249563 0.678283 O\n0.249563 0.764056 0.428283 O\n0.448485 0.448485 0.875000 O\n0.444810 0.054381 0.869400 O\n0.444810 0.945619 0.630600 O\n0.551515 0.551515 0.375000 O\n0.555190 0.054381 0.130600 O\n0.551515 0.448485 0.125000 O\n0.750437 0.764056 0.571717 O\n0.739305 0.739305 0.875000 O\n0.764056 0.249563 0.321717 O\n0.764056 0.750437 0.178283 O\n0.750437 0.235944 0.928283 O\n0.945619 0.555190 0.380600 O\n0.945619 0.444810 0.119400 O\n0.952576 0.047424 0.125000 O\n0.054381 0.555190 0.619400 O\n0.260695 0.260695 0.375000 O\n0.235944 0.750437 0.821717 O\n0.448485 0.551515 0.625000 O\n",
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"formula_full": "Nd4 Ti4 Cd4 Sb4 O28",
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{
"id": "mp-768061",
"created_at": "2022-09-04T14:39:59.540674Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.243646 0.000000 0.000000\n0.000000 10.300846 0.000000\n0.000000 4.973225 9.177794\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.970113 0.759129 0.993855 Na\n0.529887 0.759129 0.493855 Na\n0.029887 0.240871 0.006145 Na\n0.470113 0.240871 0.506145 Na\n0.252370 0.658300 0.812207 Mn\n0.247630 0.658300 0.312207 Mn\n0.747630 0.341700 0.187793 Mn\n0.752370 0.341700 0.687793 Mn\n0.749764 0.567136 0.825563 P\n0.750236 0.567136 0.325563 P\n0.250236 0.432864 0.174437 P\n0.249764 0.432864 0.674437 P\n0.240781 0.923238 0.653085 C\n0.259219 0.923238 0.153085 C\n0.759219 0.076762 0.346915 C\n0.740781 0.076762 0.846915 C\n0.763441 0.942583 0.429226 O\n0.736559 0.942583 0.929226 O\n0.240094 0.858666 0.797231 O\n0.259906 0.858666 0.297231 O\n0.248813 0.821426 0.608929 O\n0.251187 0.821426 0.108929 O\n0.943354 0.667306 0.813124 O\n0.557558 0.671916 0.799684 O\n0.942442 0.671916 0.299684 O\n0.556646 0.667306 0.313124 O\n0.749181 0.524384 0.201227 O\n0.251157 0.574154 0.026946 O\n0.750819 0.524384 0.701227 O\n0.248843 0.574154 0.526946 O\n0.748843 0.425846 0.973054 O\n0.250819 0.475616 0.798773 O\n0.751157 0.425846 0.473054 O\n0.249181 0.475616 0.298773 O\n0.442442 0.328084 0.200316 O\n0.056646 0.332694 0.186876 O\n0.443354 0.332694 0.686876 O\n0.057558 0.328084 0.700316 O\n0.751187 0.178574 0.391071 O\n0.748813 0.178574 0.891071 O\n0.759906 0.141334 0.202769 O\n0.740094 0.141334 0.702769 O\n0.236559 0.057417 0.570774 O\n0.263441 0.057417 0.070774 O\n",
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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},
{
"id": "mp-754902",
"created_at": "2022-09-04T14:41:52.904962Z",
"structure_string": "Li2 Sb2 C2 S2 O14\n1.0\n6.757293 0.000000 0.000000\n0.000000 5.580552 0.000000\n0.000000 0.542043 8.837402\nLi Sb C S O\n2 2 2 2 14\ndirect\n0.491223 0.278441 0.795425 Li\n0.991223 0.721559 0.204575 Li\n0.744058 0.794002 0.642096 Sb\n0.244058 0.205998 0.357904 Sb\n0.742573 0.722833 0.929488 C\n0.242573 0.277167 0.070512 C\n0.256534 0.727856 0.602225 S\n0.756534 0.272144 0.397775 S\n0.280026 0.306147 0.934905 O\n0.745018 0.939834 0.851210 O\n0.702699 0.546600 0.837437 O\n0.077593 0.785905 0.691095 O\n0.417685 0.889891 0.657016 O\n0.724176 0.211078 0.565005 O\n0.316267 0.475215 0.622564 O\n0.816267 0.524785 0.377436 O\n0.224176 0.788922 0.434995 O\n0.917685 0.110109 0.342984 O\n0.577593 0.214095 0.308905 O\n0.202699 0.453400 0.162563 O\n0.245018 0.060166 0.148790 O\n0.780026 0.693853 0.065095 O\n",
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{
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{
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"structure_string": "Li2 Cr2 C2 S2 O14\n1.0\n9.267174 -0.000290 0.035414\n-0.000209 6.381948 0.000079\n0.253884 0.000056 5.224709\nLi Cr C S O\n2 2 2 2 14\ndirect\n0.135744 0.561495 0.247452 Li\n0.864286 0.061502 0.752549 Li\n0.345460 0.733612 0.779936 Cr\n0.654429 0.233464 0.220037 Cr\n0.087408 0.759059 0.727304 C\n0.912564 0.259012 0.272663 C\n0.428405 0.233330 0.727753 S\n0.571620 0.733331 0.272249 S\n0.041025 0.301380 0.302582 O\n0.147030 0.739816 0.951552 O\n0.186929 0.732662 0.536218 O\n0.335577 0.050064 0.789111 O\n0.337300 0.417816 0.799394 O\n0.437468 0.729439 0.129226 O\n0.469354 0.239253 0.447755 O\n0.530655 0.739216 0.552288 O\n0.562552 0.229445 0.870742 O\n0.662704 0.917853 0.200650 O\n0.664495 0.550111 0.210891 O\n0.813075 0.232650 0.463789 O\n0.852941 0.239779 0.048490 O\n0.958981 0.801408 0.697368 O\n",
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{
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"structure_string": "Li2 V2 C2 S2 O14\n1.0\n9.620875 0.000199 0.012546\n0.000139 6.422950 -0.000112\n0.248970 -0.000087 5.277736\nLi V C S O\n2 2 2 2 14\ndirect\n0.111028 0.584015 0.258372 Li\n0.889037 0.084069 0.741615 Li\n0.345686 0.726627 0.780664 V\n0.654126 0.226573 0.219310 V\n0.094624 0.763091 0.733649 C\n0.905377 0.263081 0.266378 C\n0.428398 0.227473 0.727719 S\n0.571603 0.727357 0.272260 S\n0.027194 0.317251 0.298648 O\n0.151353 0.740495 0.955453 O\n0.188539 0.726235 0.543486 O\n0.338895 0.043452 0.780787 O\n0.338676 0.411349 0.787474 O\n0.448077 0.726102 0.114680 O\n0.474497 0.232062 0.455685 O\n0.525530 0.732071 0.544296 O\n0.551923 0.226081 0.885260 O\n0.661404 0.911171 0.212578 O\n0.661081 0.543208 0.219268 O\n0.811472 0.226228 0.456515 O\n0.848661 0.240459 0.044569 O\n0.972818 0.817255 0.701333 O\n",
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{
"id": "mp-754499",
"created_at": "2022-09-04T14:42:14.357600Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.804861 0.000000 0.000000\n0.000000 5.089238 0.000000\n0.000000 0.719214 8.677696\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477004 0.788841 0.816206 Li\n0.977004 0.211159 0.183794 Li\n0.253127 0.226822 0.654003 Mn\n0.753127 0.773178 0.345997 Mn\n0.249003 0.280641 0.927225 C\n0.749003 0.719359 0.072775 C\n0.756963 0.252460 0.582958 S\n0.256963 0.747540 0.417042 S\n0.708589 0.690707 0.937261 O\n0.259492 0.049599 0.866644 O\n0.278184 0.476208 0.818608 O\n0.934394 0.200942 0.675034 O\n0.581948 0.158896 0.671647 O\n0.267684 0.872100 0.567157 O\n0.735765 0.545371 0.541130 O\n0.235765 0.454629 0.458870 O\n0.767684 0.127900 0.432843 O\n0.081948 0.841104 0.328353 O\n0.434394 0.799058 0.324966 O\n0.778184 0.523792 0.181392 O\n0.759492 0.950401 0.133356 O\n0.208589 0.309293 0.062739 O\n",
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]
}