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{
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"results": [
{
"id": "mp-756699",
"created_at": "2022-09-04T14:47:44.076600Z",
"structure_string": "Li4 Mn2 P2 C2 O14\n1.0\n-0.133674 -0.178223 5.279986\n0.345650 -6.320176 -0.373623\n8.435549 0.237756 0.564163\nLi Mn P C O\n4 2 2 2 14\ndirect\n0.094938 0.121296 0.194658 Li\n0.650658 0.982823 0.810875 Li\n0.073381 0.617881 0.270367 Li\n0.672235 0.486155 0.735164 Li\n0.099027 0.793009 0.656795 Mn\n0.646422 0.310776 0.348573 Mn\n0.581406 0.799093 0.437632 P\n0.163781 0.304573 0.567553 P\n0.601970 0.289151 0.051474 C\n0.143766 0.814774 0.954249 C\n0.128975 0.834857 0.102844 O\n0.616552 0.268748 0.902795 O\n0.812182 0.306791 0.133173 O\n0.933623 0.797002 0.872256 O\n0.396284 0.294426 0.138122 O\n0.349546 0.810152 0.867496 O\n0.672485 0.004349 0.351131 O\n0.072960 0.099485 0.654490 O\n0.683766 0.620233 0.331639 O\n0.061344 0.483476 0.673447 O\n0.282591 0.781945 0.450461 O\n0.462504 0.321603 0.555050 O\n0.062465 0.323546 0.399170 O\n0.682987 0.779714 0.605739 O\n",
"nsites": 24,
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],
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"volume": 282.9931166587574,
"volume_molar": 7.100934927625575,
"formula_full": "Li4 Mn2 P2 C2 O14",
"formula_reduced": "Li2MnPCO7",
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"energy": -180.83489226,
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"updated_at": "2021-11-28T01:38:23.860000Z",
"spacegroup": 2
},
{
"id": "mp-1176409",
"created_at": "2022-09-04T14:47:10.010884Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n8.469062 0.000000 0.000000\n-1.913362 8.283790 0.000000\n-3.050469 -4.023528 9.006898\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.767101 0.746663 0.256927 Na\n0.478042 0.022573 0.261829 Na\n0.985592 0.476838 0.230439 Na\n0.515518 0.014256 0.755419 Na\n0.995973 0.491118 0.754768 Na\n0.236469 0.244975 0.751726 Na\n0.766365 0.773168 0.760688 Na\n0.450845 0.705630 0.923467 Na\n0.944181 0.186600 0.352978 Mn\n0.442260 0.686191 0.351906 Mn\n0.556820 0.311873 0.642727 Mn\n0.059545 0.805198 0.647620 Mn\n0.186818 0.935690 0.423220 P\n0.700536 0.445294 0.425695 P\n0.311343 0.559528 0.576044 P\n0.805854 0.061065 0.574789 P\n0.762285 0.016238 0.073674 C\n0.281224 0.531974 0.074265 C\n0.720204 0.475461 0.922088 C\n0.226288 0.968074 0.919414 C\n0.311887 0.033257 0.054622 O\n0.786412 0.540309 0.061229 O\n0.431567 0.671437 0.153090 O\n0.907569 0.156129 0.145622 O\n0.700650 0.954647 0.155919 O\n0.214786 0.472920 0.153206 O\n0.276737 0.838256 0.331291 O\n0.062380 0.003350 0.329899 O\n0.780635 0.334591 0.331776 O\n0.605319 0.537487 0.338906 O\n0.163118 0.421140 0.430625 O\n0.569376 0.316745 0.459699 O\n0.064545 0.796207 0.457235 O\n0.664285 0.920581 0.423612 O\n0.325705 0.085677 0.571712 O\n0.444156 0.691661 0.543782 O\n0.942397 0.195741 0.546910 O\n0.846393 0.585607 0.578324 O\n0.245299 0.671346 0.684011 O\n0.420143 0.479518 0.670884 O\n0.722024 0.169660 0.667404 O\n0.908759 0.978769 0.667265 O\n0.779641 0.537513 0.838827 O\n0.270723 0.021518 0.823708 O\n0.573555 0.331701 0.844242 O\n0.078052 0.826654 0.849130 O\n0.687567 0.945090 0.932265 O\n0.221213 0.474349 0.933561 O\n",
"nsites": 48,
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"elements": [
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"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6898996650134896,
"density_atomic": 0.07596291113652827,
"volume": 631.887315557582,
"volume_molar": 7.927738247388119,
"formula_full": "Na8 Mn4 P4 C4 O28",
"formula_reduced": "Na2MnPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -354.93952112,
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"energy_uncorrected": -329.03152112,
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"updated_at": "2021-11-28T01:37:54.622000Z",
"spacegroup": 1
},
{
"id": "mp-1351627",
"created_at": "2022-09-04T14:47:10.899118Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n8.386524 0.000000 0.000000\n-1.829311 8.212199 0.000000\n-3.151165 -4.150336 8.932967\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.196576 0.458308 0.081288 Na\n0.726677 0.986241 0.089883 Na\n0.248871 0.749753 0.256969 Na\n0.499647 0.496925 0.257353 Na\n0.511533 0.501495 0.737109 Na\n0.010460 0.001453 0.736766 Na\n0.800476 0.517810 0.919891 Na\n0.287562 0.031972 0.917173 Na\n0.344140 0.092999 0.345792 Fe\n0.842863 0.593117 0.345901 Fe\n0.146769 0.411456 0.657660 Fe\n0.651526 0.913796 0.651624 Fe\n0.020492 0.269773 0.425260 P\n0.515356 0.764583 0.423768 P\n0.978366 0.734484 0.575835 P\n0.480212 0.232167 0.576144 P\n0.455432 0.211867 0.063499 C\n0.958825 0.708931 0.063650 C\n0.045240 0.287757 0.935336 C\n0.544951 0.787887 0.936490 C\n0.984500 0.230227 0.075669 O\n0.487740 0.733048 0.079113 O\n0.532631 0.295969 0.127542 O\n0.050443 0.777707 0.127133 O\n0.323154 0.059098 0.156840 O\n0.813577 0.566841 0.157484 O\n0.685314 0.745810 0.319857 O\n0.008403 0.446489 0.329100 O\n0.198963 0.261161 0.322184 O\n0.492468 0.932706 0.327234 O\n0.974876 0.721076 0.431645 O\n0.471390 0.224836 0.431609 O\n0.348803 0.597977 0.466124 O\n0.855142 0.104025 0.473463 O\n0.641165 0.403772 0.530571 O\n0.139066 0.905775 0.530559 O\n0.527922 0.770902 0.566715 O\n0.032677 0.275286 0.569511 O\n0.499265 0.062113 0.672999 O\n0.800129 0.743962 0.676303 O\n0.999043 0.566606 0.675074 O\n0.304332 0.243313 0.679096 O\n0.188862 0.433001 0.841823 O\n0.687069 0.930865 0.843691 O\n0.965774 0.209576 0.868401 O\n0.461903 0.706207 0.875357 O\n0.505381 0.272537 0.923552 O\n0.006498 0.773882 0.923959 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
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"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.772522237554705,
"density_atomic": 0.07801965918461982,
"volume": 615.2295524185312,
"volume_molar": 7.718747842450402,
"formula_full": "Na8 Fe4 P4 C4 O28",
"formula_reduced": "Na2FePCO7",
"formula_anonymous": "ABCD2E7",
"energy": -79.16007322,
"energy_per_atom": -1.6491681920833334,
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"updated_at": "2021-11-28T01:37:57.386000Z",
"spacegroup": 1
},
{
"id": "mp-767521",
"created_at": "2022-09-04T14:47:14.436783Z",
"structure_string": "Na4 In2 P2 C2 O14\n1.0\n6.827753 0.000000 0.000000\n0.000000 5.273966 0.000000\n0.000000 0.069041 9.139247\nNa In P C O\n4 2 2 2 14\ndirect\n0.497662 0.232452 0.779075 Na\n0.002338 0.232452 0.779075 Na\n0.502338 0.767548 0.220925 Na\n0.997662 0.767548 0.220925 Na\n0.750000 0.773477 0.640440 In\n0.250000 0.226523 0.359560 In\n0.250000 0.712537 0.578572 P\n0.750000 0.287463 0.421428 P\n0.750000 0.730990 0.930267 C\n0.250000 0.269010 0.069733 C\n0.250000 0.297253 0.933299 O\n0.750000 0.953364 0.864392 O\n0.750000 0.533224 0.839831 O\n0.067104 0.801847 0.663145 O\n0.432896 0.801847 0.663145 O\n0.750000 0.179002 0.581285 O\n0.250000 0.413990 0.567662 O\n0.750000 0.586010 0.432338 O\n0.250000 0.820998 0.418715 O\n0.567104 0.198153 0.336855 O\n0.932896 0.198153 0.336855 O\n0.250000 0.466776 0.160169 O\n0.250000 0.046636 0.135608 O\n0.750000 0.702747 0.066701 O\n",
"nsites": 24,
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"elements": [
"Na",
"In",
"P",
"C",
"O"
],
"chemical_system": "C-In-Na-O-P",
"density": 3.186655724802634,
"density_atomic": 0.07292655519553579,
"volume": 329.09822677966235,
"volume_molar": 8.257816023056368,
"formula_full": "Na4 In2 P2 C2 O14",
"formula_reduced": "Na2InPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -164.90843153999998,
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"updated_at": "2021-11-28T01:38:00.102000Z",
"spacegroup": 11
},
{
"id": "mp-768485",
"created_at": "2022-09-04T14:47:09.923246Z",
"structure_string": "Li8 Fe4 P4 C4 O28\n1.0\n-5.079881 0.000000 0.000000\n1.109729 9.970972 0.000000\n-0.306949 -3.080485 -10.730138\nLi Fe P C O\n8 4 4 4 28\ndirect\n0.715689 0.120141 0.846195 Li\n0.693058 0.612234 0.343528 Li\n0.602149 0.332882 0.087136 Li\n0.357569 0.102955 0.303683 Li\n0.329064 0.614628 0.852329 Li\n0.233698 0.312960 0.538391 Li\n0.186035 0.680398 0.571360 Li\n0.198304 0.887616 0.046576 Li\n0.780618 0.420870 0.736357 Fe\n0.785126 0.918855 0.241288 Fe\n0.166371 0.003104 0.639997 Fe\n0.160558 0.507341 0.138391 Fe\n0.699616 0.123269 0.525186 P\n0.698711 0.624637 0.022360 P\n0.249010 0.302663 0.856408 P\n0.250476 0.802155 0.352155 P\n0.729427 0.065943 0.094132 C\n0.651827 0.551426 0.584946 C\n0.234573 0.367441 0.287146 C\n0.284581 0.877394 0.793868 C\n0.960948 0.042772 0.126717 O\n0.819952 0.013168 0.572220 O\n0.857266 0.268888 0.581571 O\n0.899779 0.550341 0.612846 O\n0.707412 0.086480 0.380479 O\n0.806699 0.507338 0.067968 O\n0.717053 0.591979 0.878396 O\n0.858850 0.765968 0.084198 O\n0.544577 0.294442 0.813621 O\n0.691839 0.143416 0.026015 O\n0.570681 0.615993 0.513442 O\n0.401221 0.132465 0.562619 O\n0.482106 0.478328 0.641712 O\n0.431817 0.442423 0.244359 O\n0.544242 0.787386 0.310497 O\n0.279839 0.295383 0.359787 O\n0.452707 0.972544 0.767472 O\n0.321787 0.815017 0.876308 O\n0.398373 0.629290 0.055365 O\n0.527941 0.000566 0.142170 O\n0.083026 0.162236 0.797034 O\n0.249018 0.337416 0.000436 O\n0.131471 0.420801 0.814759 O\n0.229795 0.833989 0.494652 O\n0.003354 0.375778 0.245374 O\n0.079083 0.661816 0.294094 O\n0.147957 0.920700 0.306459 O\n0.067542 0.847644 0.725412 O\n",
"nsites": 48,
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"elements": [
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],
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"density": 2.7461854000949626,
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"volume": 543.4959884162499,
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"formula_full": "Li8 Fe4 P4 C4 O28",
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"spacegroup": 1
},
{
"id": "mp-1666497",
"created_at": "2022-09-04T14:47:14.339808Z",
"structure_string": "Na8 Co4 Si4 C4 O28\n1.0\n0.007787 -0.001574 5.133442\n9.780686 6.270157 -0.239880\n-9.775998 6.264533 0.235903\nNa Co Si C O\n8 4 4 4 28\ndirect\n0.248083 0.121546 0.879156 Na\n0.248064 0.620707 0.377936 Na\n0.244108 0.371839 0.129332 Na\n0.245842 0.871021 0.627885 Na\n0.756193 0.629339 0.870236 Na\n0.752951 0.128290 0.372114 Na\n0.753566 0.879302 0.120293 Na\n0.750769 0.378701 0.621993 Na\n0.811602 0.069642 0.680748 Co\n0.187119 0.927220 0.322627 Co\n0.813323 0.574707 0.175838 Co\n0.187475 0.425320 0.824045 Co\n0.679370 0.337898 0.913318 Si\n0.677969 0.837594 0.411793 Si\n0.320574 0.662559 0.086964 Si\n0.322838 0.160862 0.589134 Si\n0.738076 0.405048 0.345100 C\n0.734280 0.907617 0.842217 C\n0.261792 0.594846 0.654492 C\n0.264200 0.094727 0.155902 C\n0.249167 0.159862 0.090737 O\n0.256670 0.660456 0.589437 O\n0.764763 0.842937 0.906949 O\n0.750541 0.339521 0.410037 O\n0.946828 0.442679 0.308799 O\n0.934947 0.948236 0.801773 O\n0.049661 0.558405 0.689126 O\n0.056400 0.057537 0.193806 O\n0.516182 0.433044 0.316305 O\n0.506331 0.932177 0.817472 O\n0.480578 0.565478 0.685156 O\n0.486512 0.066334 0.183551 O\n0.185809 0.586067 0.164815 O\n0.183880 0.084441 0.665804 O\n0.815028 0.413795 0.835091 O\n0.814915 0.914813 0.335233 O\n0.357050 0.340811 0.910671 O\n0.355530 0.840735 0.407915 O\n0.643034 0.659821 0.089664 O\n0.645286 0.156475 0.594035 O\n0.755652 0.186263 0.848312 O\n0.754942 0.685913 0.345299 O\n0.760591 0.404428 0.064332 O\n0.756082 0.901910 0.563191 O\n0.239157 0.596002 0.935867 O\n0.245787 0.095913 0.437301 O\n0.242680 0.814123 0.153342 O\n0.247806 0.313037 0.654854 O\n",
"nsites": 48,
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],
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"density": 2.7129812479010464,
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"volume": 629.2213050977489,
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"formula_full": "Na8 Co4 Si4 C4 O28",
"formula_reduced": "Na2CoSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -334.3899186,
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"updated_at": "2021-11-28T01:38:01Z",
"spacegroup": 8
},
{
"id": "mp-771972",
"created_at": "2022-09-04T14:47:14.655645Z",
"structure_string": "Li8 Co4 C4 S4 O28\n1.0\n-0.005031 6.430021 -0.003200\n0.719918 -0.007986 9.930370\n8.952092 -0.007013 0.384548\nLi Co C S O\n8 4 4 4 28\ndirect\n0.513742 0.105378 0.182909 Li\n0.516866 0.605257 0.181968 Li\n0.983717 0.105421 0.181735 Li\n0.986435 0.606379 0.182075 Li\n0.484694 0.394431 0.818311 Li\n0.485760 0.895068 0.818301 Li\n0.015275 0.394318 0.818117 Li\n0.016109 0.893918 0.817432 Li\n0.747098 0.882833 0.353073 Co\n0.250058 0.117197 0.647354 Co\n0.750274 0.383147 0.352254 Co\n0.250375 0.616876 0.647867 Co\n0.750144 0.363350 0.072427 C\n0.750888 0.863692 0.072547 C\n0.249663 0.136694 0.927428 C\n0.251149 0.636758 0.927622 C\n0.250041 0.376353 0.411064 S\n0.248468 0.875807 0.411553 S\n0.750115 0.123797 0.588110 S\n0.750042 0.623552 0.589009 S\n0.248902 0.150532 0.067190 O\n0.252086 0.650782 0.067307 O\n0.750153 0.349352 0.932652 O\n0.751284 0.849805 0.932764 O\n0.750170 0.481994 0.122210 O\n0.746301 0.982204 0.122464 O\n0.250355 0.018172 0.877315 O\n0.250445 0.518051 0.877930 O\n0.750164 0.258807 0.177413 O\n0.754623 0.759110 0.177514 O\n0.249634 0.241277 0.822444 O\n0.250895 0.741343 0.822646 O\n0.749005 0.072365 0.439425 O\n0.749359 0.572381 0.440286 O\n0.250638 0.427867 0.559571 O\n0.248360 0.927587 0.559978 O\n0.249301 0.225209 0.435387 O\n0.249768 0.724758 0.436076 O\n0.750487 0.274809 0.563883 O\n0.749241 0.774676 0.564956 O\n0.065145 0.425082 0.319927 O\n0.063284 0.923588 0.320408 O\n0.435086 0.424435 0.320018 O\n0.433199 0.924867 0.320549 O\n0.565158 0.075451 0.679173 O\n0.565582 0.574754 0.680307 O\n0.935091 0.075258 0.679172 O\n0.935369 0.575257 0.679878 O\n",
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"elements": [
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