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{
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"results": [
{
"id": "mp-770900",
"created_at": "2022-09-04T14:40:52.932118Z",
"structure_string": "Na2 Mn2 As2 C2 O14\n1.0\n6.439603 0.000000 0.000000\n0.000000 5.398543 0.000000\n0.000000 0.475171 9.275369\nNa Mn As C O\n2 2 2 2 14\ndirect\n0.519499 0.765139 0.774694 Na\n0.019499 0.234861 0.225306 Na\n0.241896 0.212374 0.662303 Mn\n0.741896 0.787626 0.337697 Mn\n0.747818 0.280479 0.564282 As\n0.247818 0.719521 0.435718 As\n0.253775 0.275757 0.918813 C\n0.753775 0.724243 0.081187 C\n0.751644 0.691211 0.951228 O\n0.251468 0.057237 0.860860 O\n0.256417 0.455951 0.815821 O\n0.946902 0.208130 0.681750 O\n0.544108 0.197853 0.676332 O\n0.256055 0.873004 0.591673 O\n0.732567 0.596010 0.521800 O\n0.232567 0.403990 0.478200 O\n0.756055 0.126996 0.408327 O\n0.044108 0.802147 0.323668 O\n0.446902 0.791870 0.318250 O\n0.756417 0.544049 0.184179 O\n0.751468 0.942763 0.139140 O\n0.251644 0.308789 0.048772 O\n",
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"elements": [
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],
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"formula_full": "Na2 Mn2 As2 C2 O14",
"formula_reduced": "NaMnAsCO7",
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{
"id": "mp-770248",
"created_at": "2022-09-04T14:40:58.614343Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.240134 0.000000 0.000000\n0.000000 8.421036 0.000000\n0.000000 0.743210 10.230409\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.971163 0.742465 0.625892 Li\n0.528837 0.742465 0.125892 Li\n0.028837 0.257535 0.374108 Li\n0.471163 0.257535 0.874108 Li\n0.250133 0.669663 0.354331 Mn\n0.249867 0.669663 0.854331 Mn\n0.749867 0.330337 0.645669 Mn\n0.750133 0.330337 0.145669 Mn\n0.756684 0.574088 0.387649 P\n0.743316 0.574088 0.887649 P\n0.243316 0.425912 0.612351 P\n0.256684 0.425912 0.112351 P\n0.245143 0.949074 0.395278 C\n0.254857 0.949074 0.895278 C\n0.754857 0.050926 0.604722 C\n0.745143 0.050926 0.104722 C\n0.262225 0.893989 0.278532 O\n0.767780 0.909857 0.581686 O\n0.237775 0.893989 0.778532 O\n0.241215 0.828041 0.486807 O\n0.732220 0.909857 0.081686 O\n0.258785 0.828041 0.986807 O\n0.946218 0.686206 0.348368 O\n0.559471 0.675232 0.342246 O\n0.940529 0.675232 0.842246 O\n0.553782 0.686206 0.848368 O\n0.231461 0.584360 0.678824 O\n0.760934 0.535059 0.538732 O\n0.268539 0.584360 0.178824 O\n0.739066 0.535059 0.038732 O\n0.239066 0.464941 0.461268 O\n0.768539 0.415640 0.321176 O\n0.260934 0.464941 0.961268 O\n0.731461 0.415640 0.821176 O\n0.053782 0.313794 0.651632 O\n0.440529 0.324768 0.657754 O\n0.446218 0.313794 0.151632 O\n0.059471 0.324768 0.157754 O\n0.758785 0.171959 0.513193 O\n0.232220 0.090143 0.418314 O\n0.741215 0.171959 0.013193 O\n0.737775 0.106011 0.721468 O\n0.267780 0.090143 0.918314 O\n0.762225 0.106011 0.221468 O\n",
"nsites": 44,
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"elements": [
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"P",
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],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.679382509112536,
"density_atomic": 0.08184652405933945,
"volume": 537.5915532845306,
"volume_molar": 7.3578454665147355,
"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -337.33767162000004,
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"updated_at": "2021-11-28T01:35:20.308000Z",
"spacegroup": 14
},
{
"id": "mp-767556",
"created_at": "2022-09-04T14:39:27.480495Z",
"structure_string": "Na2 Ti2 P2 C2 O14\n1.0\n6.418726 0.000000 0.000000\n0.000000 5.496138 0.000000\n0.000000 0.537073 9.117976\nNa Ti P C O\n2 2 2 2 14\ndirect\n0.505514 0.770313 0.786859 Na\n0.005514 0.229687 0.213141 Na\n0.233622 0.211513 0.658378 Ti\n0.733622 0.788487 0.341622 Ti\n0.741688 0.267001 0.555134 P\n0.241688 0.732999 0.444866 P\n0.261664 0.279331 0.920065 C\n0.761664 0.720669 0.079935 C\n0.753976 0.685309 0.948839 O\n0.256110 0.061538 0.861070 O\n0.270031 0.453321 0.811147 O\n0.936346 0.213991 0.652520 O\n0.550456 0.197127 0.648434 O\n0.255019 0.883983 0.582585 O\n0.737726 0.541906 0.503620 O\n0.237726 0.458094 0.496380 O\n0.755019 0.116017 0.417415 O\n0.050456 0.802873 0.351566 O\n0.436346 0.786009 0.347480 O\n0.770031 0.546679 0.188853 O\n0.756110 0.938462 0.138930 O\n0.253976 0.314691 0.051161 O\n",
"nsites": 22,
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"elements": [
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"O"
],
"chemical_system": "C-Na-O-P-Ti",
"density": 2.331682100609357,
"density_atomic": 0.06839396319097771,
"volume": 321.6658163026611,
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"formula_full": "Na2 Ti2 P2 C2 O14",
"formula_reduced": "NaTiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -175.11732339,
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"updated_at": "2021-11-28T01:34:31.463000Z",
"spacegroup": 4
},
{
"id": "mp-1101664",
"created_at": "2022-09-04T14:39:34.735356Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.232353 0.000000 0.000000\n-0.241321 10.408132 0.000000\n-0.012309 -4.792419 9.289598\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.954772 0.763795 0.757075 Na\n0.556018 0.761980 0.257396 Na\n0.039491 0.232763 0.737149 Na\n0.041159 0.234755 0.237724 Na\n0.250136 0.654087 0.934647 Mn\n0.250387 0.654220 0.435111 Mn\n0.733867 0.345876 0.566055 Mn\n0.737033 0.345688 0.065437 Mn\n0.747111 0.563731 0.920349 P\n0.751914 0.564053 0.420634 P\n0.240655 0.436079 0.580508 P\n0.242157 0.435776 0.079849 P\n0.254418 0.911585 0.094226 C\n0.264405 0.911837 0.594726 C\n0.752595 0.090047 0.405718 C\n0.740314 0.088713 0.905698 C\n0.769283 0.960276 0.322974 O\n0.748257 0.958609 0.823262 O\n0.248488 0.851934 0.952229 O\n0.273874 0.852279 0.452957 O\n0.263418 0.808450 0.136020 O\n0.258964 0.808603 0.636694 O\n0.941713 0.665776 0.932465 O\n0.555650 0.662413 0.939395 O\n0.945286 0.671401 0.448245 O\n0.559192 0.657211 0.424838 O\n0.745052 0.523687 0.546624 O\n0.239407 0.575719 0.723829 O\n0.749451 0.523883 0.046756 O\n0.247363 0.574984 0.223677 O\n0.746770 0.424806 0.776528 O\n0.232827 0.475325 0.953244 O\n0.764779 0.426317 0.276444 O\n0.233228 0.475255 0.453593 O\n0.430176 0.337471 0.565268 O\n0.044657 0.334562 0.567072 O\n0.433431 0.338265 0.065126 O\n0.047653 0.332624 0.064467 O\n0.746073 0.193636 0.364587 O\n0.739507 0.192252 0.864107 O\n0.740240 0.147585 0.547123 O\n0.734579 0.147658 0.047530 O\n0.251529 0.041892 0.176216 O\n0.256922 0.042140 0.676429 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 2.5672719823711967,
"density_atomic": 0.0730181660045998,
"volume": 602.5897719374136,
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"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
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"energy": -334.85078764,
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"updated_at": "2021-11-28T01:34:24.036000Z",
"spacegroup": 1
},
{
"id": "mp-770821",
"created_at": "2022-09-04T14:40:30.417171Z",
"structure_string": "Na2 Fe2 As2 C2 O14\n1.0\n9.352074 0.000000 0.016559\n0.000000 6.681705 0.000000\n0.240937 0.000000 5.392122\nNa Fe As C O\n2 2 2 2 14\ndirect\n0.230550 0.482563 0.232728 Na\n0.769450 0.982563 0.767272 Na\n0.352060 0.762840 0.792648 Fe\n0.647940 0.262840 0.207352 Fe\n0.428441 0.253567 0.722235 As\n0.571559 0.753567 0.277765 As\n0.082434 0.745756 0.724460 C\n0.917566 0.245756 0.275540 C\n0.049610 0.251528 0.307471 O\n0.134213 0.748665 0.942497 O\n0.177384 0.738610 0.541003 O\n0.322550 0.051173 0.787634 O\n0.325904 0.457816 0.801216 O\n0.411610 0.740291 0.133430 O\n0.470213 0.265039 0.405435 O\n0.529787 0.765039 0.594565 O\n0.588390 0.240291 0.866570 O\n0.674096 0.957816 0.198784 O\n0.677450 0.551173 0.212366 O\n0.822616 0.238610 0.458997 O\n0.865787 0.248665 0.057503 O\n0.950390 0.751528 0.692529 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.737995326385085,
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"formula_full": "Na2 Fe2 As2 C2 O14",
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{
"id": "mp-768103",
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"structure_string": "Na4 V4 P4 C4 O28\n1.0\n-0.000105 6.303234 -0.000025\n0.462087 -0.000050 10.659183\n9.082735 -0.000130 -5.328813\nNa V P C O\n4 4 4 4 28\ndirect\n0.469323 0.226880 0.223522 Na\n0.469314 0.726922 0.223608 Na\n0.969308 0.773101 0.776508 Na\n0.969343 0.273109 0.776417 Na\n0.771794 0.062626 0.338471 V\n0.271894 0.937455 0.661522 V\n0.771715 0.562603 0.338463 V\n0.271781 0.437362 0.661543 V\n0.263542 0.581622 0.442810 P\n0.263613 0.081630 0.442804 P\n0.763509 0.418383 0.557215 P\n0.763580 0.918361 0.557192 P\n0.739554 0.401489 0.085747 C\n0.739600 0.901522 0.085821 C\n0.239568 0.598520 0.914251 C\n0.239628 0.098466 0.914183 C\n0.241866 0.181202 0.043177 O\n0.241852 0.681175 0.043215 O\n0.741877 0.818824 0.956847 O\n0.741865 0.318807 0.956768 O\n0.743546 0.543819 0.145492 O\n0.743626 0.043855 0.145531 O\n0.243571 0.456171 0.854507 O\n0.243668 0.956169 0.854479 O\n0.735289 0.364769 0.191773 O\n0.735348 0.864833 0.191858 O\n0.235309 0.635218 0.808221 O\n0.235381 0.135201 0.808157 O\n0.063732 0.564266 0.345788 O\n0.063891 0.064255 0.345788 O\n0.563829 0.435714 0.654206 O\n0.563934 0.935727 0.654216 O\n0.453597 0.572101 0.346751 O\n0.453700 0.072146 0.346801 O\n0.953645 0.427869 0.653214 O\n0.953779 0.927831 0.653170 O\n0.750705 0.274538 0.421457 O\n0.750688 0.774535 0.421417 O\n0.250743 0.725471 0.578539 O\n0.250676 0.225455 0.578558 O\n0.264495 0.457433 0.479553 O\n0.264608 0.957472 0.479594 O\n0.764489 0.542555 0.520427 O\n0.764621 0.042536 0.520419 O\n",
"nsites": 44,
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"volume": 625.7655925675898,
"volume_molar": 8.564655639106446,
"formula_full": "Na4 V4 P4 C4 O28",
"formula_reduced": "NaVPCO7",
"formula_anonymous": "ABCDE7",
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"spacegroup": 4
},
{
"id": "mp-770829",
"created_at": "2022-09-04T14:45:58.933832Z",
"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.434282 0.000000 0.000000\n0.000000 5.296498 0.000000\n0.000000 0.370976 9.054003\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.514888 0.761640 0.778949 Na\n0.014888 0.238360 0.221051 Na\n0.240597 0.220547 0.659829 Cr\n0.740597 0.779453 0.340171 Cr\n0.257713 0.275801 0.921757 C\n0.757713 0.724199 0.078243 C\n0.745287 0.276729 0.571830 S\n0.245287 0.723271 0.428170 S\n0.756839 0.693236 0.944658 O\n0.255078 0.053378 0.857857 O\n0.258777 0.463032 0.817235 O\n0.925764 0.217239 0.667193 O\n0.560255 0.197294 0.660626 O\n0.254536 0.861191 0.567356 O\n0.732416 0.554533 0.535582 O\n0.232416 0.445467 0.464418 O\n0.754536 0.138809 0.432644 O\n0.060255 0.802706 0.339374 O\n0.425764 0.782761 0.332807 O\n0.758777 0.536968 0.182765 O\n0.755078 0.946622 0.142143 O\n0.256839 0.306764 0.055342 O\n",
"nsites": 22,
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{
"id": "mp-757002",
"created_at": "2022-09-04T14:45:56.374853Z",
"structure_string": "K2 Zr2 P2 C2 O14\n1.0\n6.714119 0.000000 0.000000\n0.000000 5.862521 0.000000\n0.000000 0.134563 10.049702\nK Zr P C O\n2 2 2 2 14\ndirect\n0.548749 0.746604 0.782235 K\n0.048749 0.253396 0.217765 K\n0.223996 0.222196 0.652317 Zr\n0.723996 0.777804 0.347683 Zr\n0.730224 0.271364 0.550201 P\n0.230224 0.728636 0.449799 P\n0.269399 0.277749 0.905706 C\n0.769399 0.722251 0.094294 C\n0.792989 0.695083 0.974494 O\n0.258734 0.074352 0.845102 O\n0.251214 0.448284 0.814960 O\n0.915001 0.231526 0.639623 O\n0.543289 0.229192 0.635708 O\n0.238045 0.896037 0.567735 O\n0.730512 0.519715 0.495305 O\n0.230512 0.480285 0.504695 O\n0.738045 0.103963 0.432265 O\n0.043289 0.770808 0.364292 O\n0.415001 0.768474 0.360377 O\n0.751214 0.551716 0.185040 O\n0.758734 0.925648 0.154898 O\n0.292989 0.304917 0.025506 O\n",
"nsites": 22,
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"structure_string": "K2 Pr2 P2 C2 O14\n1.0\n7.234146 0.000000 0.000000\n0.000000 5.772134 0.000000\n0.000000 0.110991 10.494787\nK Pr P C O\n2 2 2 2 14\ndirect\n0.447800 0.241456 0.767463 K\n0.947800 0.758544 0.232537 K\n0.780966 0.780658 0.630415 Pr\n0.280966 0.219342 0.369585 Pr\n0.271924 0.715427 0.571038 P\n0.771924 0.284573 0.428962 P\n0.726720 0.725883 0.914195 C\n0.226720 0.274117 0.085805 C\n0.228418 0.305495 0.965572 O\n0.725764 0.932131 0.866649 O\n0.727945 0.552889 0.837414 O\n0.099398 0.772625 0.651139 O\n0.449277 0.791789 0.641520 O\n0.757426 0.161020 0.562374 O\n0.282211 0.449315 0.546785 O\n0.782211 0.550685 0.453215 O\n0.257426 0.838980 0.437626 O\n0.949277 0.208211 0.358480 O\n0.599398 0.227375 0.348861 O\n0.227945 0.447111 0.162586 O\n0.225764 0.067869 0.133351 O\n0.728418 0.694505 0.034428 O\n",
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{
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"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.236605 0.000000 0.000000\n0.000000 9.412832 0.000000\n0.000000 4.833573 8.954425\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.032963 0.261939 0.743982 Li\n0.467037 0.261939 0.243982 Li\n0.532963 0.738061 0.756018 Li\n0.967037 0.738061 0.256018 Li\n0.746062 0.327495 0.938349 Mn\n0.753938 0.327495 0.438349 Mn\n0.246062 0.672505 0.561651 Mn\n0.253938 0.672505 0.061651 Mn\n0.254198 0.425178 0.926172 P\n0.245802 0.425178 0.426172 P\n0.754198 0.574822 0.573828 P\n0.745802 0.574822 0.073828 P\n0.746391 0.047221 0.621767 C\n0.753609 0.047221 0.121767 C\n0.246391 0.952779 0.878233 C\n0.253609 0.952779 0.378233 C\n0.761208 0.101841 0.976081 O\n0.738792 0.101841 0.476081 O\n0.236517 0.095651 0.782107 O\n0.763968 0.170393 0.651179 O\n0.263483 0.095651 0.282107 O\n0.736032 0.170393 0.151179 O\n0.056872 0.323900 0.930925 O\n0.442543 0.311687 0.941636 O\n0.057457 0.311687 0.441636 O\n0.443128 0.323900 0.430925 O\n0.767306 0.414128 0.720770 O\n0.238209 0.465055 0.558398 O\n0.732694 0.414128 0.220770 O\n0.261791 0.465055 0.058398 O\n0.738209 0.534945 0.941602 O\n0.267306 0.585872 0.779230 O\n0.761791 0.534945 0.441602 O\n0.232694 0.585872 0.279230 O\n0.942543 0.688313 0.558364 O\n0.556872 0.676100 0.569075 O\n0.557457 0.688313 0.058364 O\n0.943128 0.676100 0.069075 O\n0.263968 0.829607 0.848821 O\n0.736517 0.904349 0.717893 O\n0.236032 0.829607 0.348821 O\n0.763483 0.904349 0.217893 O\n0.261208 0.898159 0.523919 O\n0.238792 0.898159 0.023919 O\n",
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