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{
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{
"id": "mp-768072",
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"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.231935 0.000000 0.000000\n0.000000 9.204082 0.000000\n0.000000 0.481639 10.489264\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.461557 0.237682 0.621457 Na\n0.038443 0.237682 0.121457 Na\n0.961557 0.762318 0.878543 Na\n0.538443 0.762318 0.378543 Na\n0.746049 0.344522 0.891640 Mn\n0.753951 0.344522 0.391640 Mn\n0.246049 0.655478 0.608360 Mn\n0.253951 0.655478 0.108360 Mn\n0.248498 0.435076 0.861675 P\n0.251502 0.435076 0.361675 P\n0.748498 0.564924 0.638325 P\n0.751502 0.564924 0.138325 P\n0.746256 0.084547 0.863897 C\n0.753744 0.084547 0.363897 C\n0.246256 0.915453 0.636103 C\n0.253744 0.915453 0.136103 C\n0.242573 0.047153 0.652306 O\n0.257427 0.047153 0.152306 O\n0.755467 0.145608 0.974899 O\n0.744533 0.145608 0.474899 O\n0.740395 0.186685 0.770134 O\n0.759605 0.186685 0.270134 O\n0.055322 0.334837 0.898104 O\n0.440958 0.332914 0.891323 O\n0.059042 0.332914 0.391323 O\n0.444678 0.334837 0.398104 O\n0.248766 0.477451 0.716613 O\n0.747008 0.426113 0.562732 O\n0.251234 0.477451 0.216613 O\n0.752992 0.426113 0.062732 O\n0.247008 0.573887 0.937268 O\n0.748766 0.522549 0.783387 O\n0.252992 0.573887 0.437268 O\n0.751234 0.522549 0.283387 O\n0.555322 0.665163 0.601896 O\n0.940958 0.667086 0.608677 O\n0.559042 0.667086 0.108677 O\n0.944678 0.665163 0.101896 O\n0.240395 0.813315 0.729866 O\n0.259605 0.813315 0.229866 O\n0.255467 0.854392 0.525101 O\n0.244533 0.854392 0.025101 O\n0.742573 0.952847 0.847694 O\n0.757427 0.952847 0.347694 O\n",
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"formula_reduced": "NaMnPCO7",
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{
"id": "mp-768161",
"created_at": "2022-09-04T14:41:57.176736Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
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"formula_full": "Li2 Si2 P2 C2 O14",
"formula_reduced": "LiSiPCO7",
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{
"id": "mp-754930",
"created_at": "2022-09-04T14:41:55.903868Z",
"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",
"nsites": 22,
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"formula_full": "Li2 V2 C2 S2 O14",
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{
"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",
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"formula_full": "K2 Cr2 P2 C2 O14",
"formula_reduced": "KCrPCO7",
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{
"id": "mp-25466",
"created_at": "2022-09-04T14:47:10.044950Z",
"structure_string": "Li2 Cu2 P2 C2 O14\n1.0\n6.412109 0.000000 0.000000\n0.000000 5.001830 0.000000\n0.000000 0.511542 8.443180\nLi Cu P C O\n2 2 2 2 14\ndirect\n0.013295 0.219462 0.248262 Li\n0.513295 0.780538 0.751738 Li\n0.745874 0.792295 0.338926 Cu\n0.245874 0.207705 0.661074 Cu\n0.253010 0.718948 0.424781 P\n0.753010 0.281052 0.575219 P\n0.746873 0.725076 0.060499 C\n0.246873 0.274924 0.939501 C\n0.566664 0.175753 0.677150 O\n0.751752 0.958297 0.122632 O\n0.263929 0.468536 0.828536 O\n0.763929 0.531464 0.171464 O\n0.436528 0.788708 0.312688 O\n0.769864 0.154981 0.413208 O\n0.936528 0.211292 0.687312 O\n0.269864 0.845019 0.586792 O\n0.066664 0.824247 0.322850 O\n0.231946 0.408772 0.460628 O\n0.723466 0.692153 0.917749 O\n0.223466 0.307847 0.082251 O\n0.731946 0.591228 0.539372 O\n0.251752 0.041703 0.877368 O\n",
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"formula_full": "Li2 Cu2 P2 C2 O14",
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{
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"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n6.426129 0.000000 0.000000\n0.000000 5.407741 0.000000\n0.000000 0.515931 9.047669\nNa V Si C O\n2 2 2 2 14\ndirect\n0.514186 0.764817 0.776121 Na\n0.014186 0.235183 0.223879 Na\n0.234085 0.201803 0.656224 V\n0.734085 0.798197 0.343776 V\n0.740158 0.275235 0.561955 Si\n0.240158 0.724765 0.438045 Si\n0.256540 0.277641 0.919886 C\n0.756540 0.722359 0.080114 C\n0.755489 0.689820 0.946863 O\n0.250418 0.056876 0.859828 O\n0.259529 0.453340 0.811161 O\n0.953103 0.213644 0.658636 O\n0.540125 0.205149 0.662333 O\n0.254367 0.894821 0.583502 O\n0.744149 0.568999 0.501902 O\n0.244149 0.431001 0.498098 O\n0.754367 0.105179 0.416498 O\n0.040125 0.794851 0.337667 O\n0.453103 0.786356 0.341364 O\n0.759529 0.546660 0.188839 O\n0.750418 0.943124 0.140172 O\n0.255489 0.310180 0.053137 O\n",
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{
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"structure_string": "Na2 Co2 As2 C2 O14\n1.0\n6.234898 0.000000 0.000000\n0.000000 5.331750 0.000000\n0.000000 0.505634 9.231897\nNa Co As C O\n2 2 2 2 14\ndirect\n0.521502 0.764270 0.769872 Na\n0.021502 0.235730 0.230128 Na\n0.241595 0.214003 0.667565 Co\n0.741595 0.785997 0.332435 Co\n0.747593 0.282975 0.561221 As\n0.247593 0.717025 0.438779 As\n0.253687 0.273796 0.918652 C\n0.753687 0.726204 0.081348 C\n0.754070 0.692065 0.951113 O\n0.250019 0.055300 0.859041 O\n0.254979 0.454925 0.813559 O\n0.950269 0.212165 0.686588 O\n0.542853 0.201550 0.681544 O\n0.253890 0.878665 0.592898 O\n0.731692 0.603554 0.521027 O\n0.231692 0.396446 0.478973 O\n0.753890 0.121335 0.407102 O\n0.042853 0.798450 0.318456 O\n0.450269 0.787835 0.313412 O\n0.754979 0.545075 0.186441 O\n0.750019 0.944700 0.140959 O\n0.254070 0.307935 0.048887 O\n",
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{
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"structure_string": "Gd4 Ti4 Cd4 Sb4 O28\n1.0\n7.323776 0.000000 0.000000\n0.000000 7.323776 0.000000\n0.000000 0.000000 10.392180\nGd Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.735613 0.000000 Gd\n0.000000 0.264387 0.500000 Gd\n0.264387 0.000000 0.250000 Gd\n0.735613 0.000000 0.750000 Gd\n0.762437 0.000000 0.250000 Ti\n0.000000 0.762437 0.500000 Ti\n0.237563 0.000000 0.750000 Ti\n0.000000 0.237563 0.000000 Ti\n0.500000 0.742079 0.000000 Cd\n0.257921 0.500000 0.250000 Cd\n0.500000 0.257921 0.500000 Cd\n0.742079 0.500000 0.750000 Cd\n0.244400 0.500000 0.750000 Sb\n0.500000 0.755600 0.500000 Sb\n0.500000 0.244400 0.000000 Sb\n0.755600 0.500000 0.250000 Sb\n0.252869 0.747131 0.125000 O\n0.551416 0.946395 0.368183 O\n0.765131 0.750739 0.176523 O\n0.747131 0.252869 0.625000 O\n0.951872 0.951872 0.375000 O\n0.048128 0.048128 0.875000 O\n0.053605 0.448584 0.881817 O\n0.048128 0.951872 0.625000 O\n0.249261 0.234869 0.073477 O\n0.234869 0.249261 0.676523 O\n0.249261 0.765131 0.426523 O\n0.448584 0.946395 0.631817 O\n0.448584 0.053605 0.868183 O\n0.450484 0.450484 0.875000 O\n0.549516 0.549516 0.375000 O\n0.551416 0.053605 0.131817 O\n0.549516 0.450484 0.125000 O\n0.750739 0.765131 0.573477 O\n0.765131 0.249261 0.323477 O\n0.747131 0.747131 0.875000 O\n0.750739 0.234869 0.926523 O\n0.946395 0.551416 0.381817 O\n0.951872 0.048128 0.125000 O\n0.946395 0.448584 0.118183 O\n0.053605 0.551416 0.618183 O\n0.234869 0.750739 0.823477 O\n0.252869 0.252869 0.375000 O\n0.450484 0.549516 0.625000 O\n",
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{
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{
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{
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{
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"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n-7.999129 5.142302 -0.011606\n-0.405008 -5.145701 6.422578\n0.430377 5.153628 6.432166\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.891563 0.184209 0.064467 Li\n0.714849 0.464572 0.985953 Li\n0.112453 0.821519 0.932967 Li\n0.111021 0.319461 0.433409 Li\n0.661939 0.810544 0.942944 Fe\n0.666082 0.306571 0.447908 Fe\n0.330623 0.190428 0.059707 Fe\n0.340140 0.695164 0.556080 Fe\n0.575740 0.546784 0.703494 P\n0.578295 0.054700 0.200317 P\n0.424216 0.446160 0.300063 P\n0.421554 0.948656 0.801271 P\n0.956230 0.502499 0.247545 C\n0.956064 0.995229 0.747741 C\n0.038102 0.998966 0.250160 C\n0.045090 0.502628 0.756527 C\n0.927794 0.861673 0.885199 O\n0.928728 0.369451 0.384329 O\n0.897225 0.895581 0.354263 O\n0.828957 0.517178 0.224686 O\n0.905797 0.410577 0.872557 O\n0.829928 0.014600 0.727662 O\n0.687597 0.982109 0.081023 O\n0.694548 0.168927 0.269951 O\n0.680070 0.644391 0.794852 O\n0.680858 0.470529 0.588189 O\n0.579146 0.588232 0.143514 O\n0.531758 0.187753 0.080813 O\n0.528431 0.676874 0.585457 O\n0.573896 0.096281 0.652174 O\n0.427648 0.905884 0.347795 O\n0.477639 0.324356 0.417634 O\n0.474385 0.827975 0.922123 O\n0.420589 0.396203 0.849249 O\n0.320964 0.526954 0.411859 O\n0.308277 0.331064 0.231204 O\n0.309669 0.832358 0.730364 O\n0.312096 0.020593 0.919391 O\n0.157332 0.971586 0.277600 O\n0.090587 0.614655 0.135915 O\n0.167730 0.470482 0.771639 O\n0.090720 0.108023 0.637724 O\n0.087295 0.636405 0.613476 O\n0.072185 0.135888 0.112147 O\n",
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}