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H\n0.556952 0.052996 0.756540 H\n0.501094 0.923612 0.122701 H\n0.498906 0.076388 0.877299 H\n0.489467 0.838358 0.217620 H\n0.510533 0.161642 0.782380 H\n0.854949 0.086725 0.404301 H\n0.145051 0.913275 0.595699 H\n0.026473 0.112155 0.313126 H\n0.973527 0.887845 0.686874 H\n0.866468 0.125157 0.284766 H\n0.133532 0.874843 0.715234 H\n0.079928 0.860087 0.324252 H\n0.920072 0.139913 0.675748 H\n0.136326 0.962709 0.347658 H\n0.863674 0.037291 0.652342 H\n0.990142 0.898726 0.434602 H\n0.009858 0.101274 0.565398 H\n0.018678 0.044425 0.134676 H\n0.981322 0.955575 0.865324 H\n0.156004 0.002050 0.176285 H\n0.843996 0.997950 0.823715 H\n0.044841 0.929122 0.143982 H\n0.955159 0.070878 0.856018 H\n0.473156 0.748617 0.510143 H\n0.526844 0.251383 0.489857 H\n0.477566 0.790028 0.615606 H\n0.522434 0.209972 0.384394 H\n0.428718 0.859134 0.527072 H\n0.571282 0.140866 0.472928 H\n0.885636 0.757742 0.501330 H\n0.114364 0.242258 0.498670 H\n0.729223 0.734967 0.604755 H\n0.270777 0.265033 0.395245 H\n0.744972 0.690138 0.496660 H\n0.255028 0.309862 0.503340 H\n0.632590 0.979564 0.543063 H\n0.367410 0.020436 0.456937 H\n0.664656 0.898651 0.630351 H\n0.335344 0.101349 0.369649 H\n0.809785 0.951769 0.533272 H\n0.190215 0.048231 0.466728 H\n0.603505 0.400670 0.331884 H\n0.396495 0.599330 0.668116 H\n0.457778 0.428769 0.290947 H\n0.542222 0.571231 0.709053 H\n0.625639 0.406511 0.208696 H\n0.374361 0.593489 0.791304 H\n0.541332 0.667433 0.346038 H\n0.458668 0.332567 0.653962 H\n0.402224 0.585476 0.365952 H\n0.597776 0.414524 0.634048 H\n0.535369 0.568680 0.422392 H\n0.464631 0.431320 0.577608 H\n0.597167 0.561780 0.098620 H\n0.402833 0.438220 0.901380 H\n0.444247 0.591840 0.190111 H\n0.555753 0.408160 0.809889 H\n0.594919 0.666412 0.136867 H\n0.405081 0.333588 0.863133 H\n0.044091 0.362692 0.209535 H\n0.955909 0.637308 0.790465 H\n0.984973 0.332543 0.335488 H\n0.015027 0.667457 0.664512 H\n0.858752 0.340795 0.273211 H\n0.141248 0.659205 0.726789 H\n0.082004 0.578862 0.343168 H\n0.917996 0.421138 0.656832 H\n0.111014 0.466059 0.376072 H\n0.888986 0.533941 0.623928 H\n0.190812 0.516484 0.255917 H\n0.809188 0.483516 0.744083 H\n0.702242 0.453052 0.422262 H\n0.297758 0.546948 0.577738 H\n0.846476 0.425505 0.464756 H\n0.153524 0.574495 0.535244 H\n0.804609 0.537765 0.443158 H\n0.195391 0.462235 0.556842 H\n0.983762 0.715347 0.991015 H\n0.016238 0.284653 0.008985 H\n0.174304 0.728112 0.947217 H\n0.825696 0.271888 0.052783 H\n0.088490 0.629885 0.937800 H\n0.911510 0.370115 0.062200 H\n0.225298 0.695873 0.189364 H\n0.774702 0.304127 0.810636 H\n0.309917 0.727989 0.063523 H\n0.690083 0.272011 0.936477 H\n0.148305 0.776276 0.127939 H\n0.851695 0.223724 0.872061 H\n0.166210 0.497968 0.031377 H\n0.833790 0.502032 0.968623 H\n0.316746 0.573729 0.000577 H\n0.683254 0.426271 0.999423 H\n0.251967 0.510744 0.115624 H\n0.748033 0.489256 0.884376 H\n0.743558 0.882855 0.317992 Ir\n0.256442 0.117145 0.682008 Ir\n0.871996 0.591362 0.207425 Ir\n0.128004 0.408638 0.792575 Ir\n0.718983 0.051825 0.134085 C\n0.281017 0.948175 0.865915 C\n0.796348 0.882547 0.073172 C\n0.203652 0.117453 0.926828 C\n0.515352 0.908397 0.192553 C\n0.484648 0.091603 0.807447 C\n0.917755 0.084949 0.329068 C\n0.082245 0.915051 0.670932 C\n0.043789 0.919131 0.358230 C\n0.956211 0.080869 0.641770 C\n0.047625 0.988676 0.176556 C\n0.952375 0.011324 0.823444 C\n0.497933 0.806634 0.538474 C\n0.502067 0.193366 0.461526 C\n0.769305 0.747342 0.526363 C\n0.230695 0.252658 0.473637 C\n0.699919 0.925527 0.554428 C\n0.300081 0.074473 0.445572 C\n0.573540 0.436408 0.273652 C\n0.426460 0.563592 0.726348 C\n0.514786 0.596854 0.357465 C\n0.485214 0.403146 0.642535 C\n0.561285 0.597206 0.160781 C\n0.438715 0.402794 0.839219 C\n0.957943 0.369160 0.276262 C\n0.042057 0.630840 0.723738 C\n0.095887 0.513744 0.319570 C\n0.904113 0.486256 0.680430 C\n0.809573 0.473507 0.418150 C\n0.190427 0.526493 0.581850 C\n0.083138 0.681416 0.982992 C\n0.916862 0.318584 0.017008 C\n0.207026 0.715699 0.121510 C\n0.792974 0.284301 0.878490 C\n0.220408 0.545705 0.057893 C\n0.779592 0.454295 0.942107 C\n0.800097 0.736735 0.260004 Cl\n0.199903 0.263265 0.739996 Cl\n0.555918 0.818523 0.935222 F\n0.444082 0.181477 0.064778 F\n0.766411 0.744179 0.893049 F\n0.233589 0.255821 0.106951 F\n0.706878 0.692176 0.771464 F\n0.293122 0.307824 0.228536 F\n0.496888 0.766697 0.813182 F\n0.503112 0.233303 0.186818 F\n0.713459 0.841876 0.779316 F\n0.286541 0.158124 0.220684 F\n0.549275 0.668954 0.927252 F\n0.450725 0.331046 0.072748 F\n",
            "nsites": 176,
            "nelements": 6,
            "elements": [
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                "C",
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            "chemical_system": "C-Cl-F-H-Ir-P",
            "density": 1.5759281866086337,
            "density_atomic": 0.08177305807253206,
            "volume": 2152.298130319272,
            "volume_molar": 7.364455851288341,
            "formula_full": "P14 H108 Ir4 C36 Cl2 F12",
            "formula_reduced": "P7H54Ir2C18ClF6",
            "formula_anonymous": "AB2C6D7E18F54",
            "energy": -912.1300791799998,
            "energy_per_atom": -5.182557268068181,
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            "energy_uncorrected": -906.58607918,
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            "updated_at": "2021-11-28T01:35:38.447000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-685970",
            "created_at": "2022-09-04T14:47:04.530161Z",
            "structure_string": "Ce14 Gd18 O55\n1.0\n8.978535 -0.005747 -3.176948\n-4.474113 7.709541 -3.119873\n-0.025613 0.095093 18.988881\nCe Gd O\n14 18 55\ndirect\n0.496387 0.247587 0.873588 Ce\n0.489733 0.737768 0.620833 Ce\n0.724451 0.481976 0.616376 Ce\n0.758884 0.754451 0.502676 Ce\n0.495403 0.248197 0.371533 Ce\n0.702214 0.232782 0.740160 Ce\n0.485326 0.996002 0.496123 Ce\n0.759086 0.008247 0.874450 Ce\n0.978552 0.250187 0.615630 Ce\n0.755042 0.756336 0.005506 Ce\n0.706945 0.239087 0.241953 Ce\n0.490398 0.994038 0.001290 Ce\n0.758314 0.009344 0.375864 Ce\n0.982454 0.254150 0.117811 Ce\n0.006388 0.772549 0.890568 Gd\n0.240152 0.973640 0.625463 Gd\n0.010096 0.777688 0.390356 Gd\n0.294116 0.523402 0.871335 Gd\n0.275231 0.752056 0.753166 Gd\n0.245891 0.233055 0.989132 Gd\n0.242267 0.961878 0.124849 Gd\n0.533319 0.526938 0.760445 Gd\n0.270270 0.739119 0.248097 Gd\n0.293872 0.525618 0.383276 Gd\n0.243032 0.247888 0.482773 Gd\n0.528184 0.525217 0.260377 Gd\n0.529322 0.766409 0.137183 Gd\n0.715310 0.478185 0.117166 Gd\n0.001175 0.504425 0.512672 Gd\n0.008164 0.001819 0.247168 Gd\n0.003674 0.007631 0.750834 Gd\n0.975609 0.501384 0.014984 Gd\n0.231665 0.979708 0.755509 O\n0.231950 0.743709 0.872075 O\n0.227155 0.278464 0.873494 O\n0.009903 0.034159 0.630047 O\n0.242714 0.465260 0.736664 O\n0.016057 0.250953 0.508416 O\n0.257157 0.740511 0.629466 O\n0.223949 0.957008 0.244268 O\n0.741934 0.008288 0.000069 O\n0.235965 0.745329 0.373593 O\n0.524525 0.762956 0.751625 O\n0.520734 0.513863 0.877841 O\n0.485764 0.226544 0.989947 O\n0.235365 0.508640 0.488921 O\n0.520375 0.760029 0.506283 O\n0.248701 0.258260 0.362833 O\n0.480381 0.476875 0.620234 O\n0.474456 0.242655 0.740712 O\n0.010624 0.035501 0.128653 O\n0.235816 0.458683 0.237484 O\n0.254507 0.024970 0.512949 O\n0.517053 0.008588 0.871547 O\n0.761609 0.776543 0.885645 O\n0.017427 0.260122 0.005321 O\n0.253596 0.713286 0.114549 O\n0.759436 0.278432 0.873493 O\n0.987193 0.733569 -0.000254 O\n0.488115 0.984037 0.622419 O\n0.744325 0.013681 0.499623 O\n0.781991 0.513716 0.761465 O\n0.528315 0.769571 0.259269 O\n0.998288 0.979998 0.863083 O\n0.524587 0.518229 0.381057 O\n0.492514 0.239514 0.492492 O\n0.765485 0.744415 0.638192 O\n0.735896 0.495175 0.502077 O\n0.499675 0.743317 0.002615 O\n0.465588 0.476984 0.117393 O\n0.473198 0.241834 0.241234 O\n0.742837 0.239812 0.627831 O\n0.249889 0.016799 0.012911 O\n0.775200 0.042242 0.752816 O\n0.766459 0.778151 0.387878 O\n0.510961 0.011021 0.374377 O\n0.985968 0.510596 0.634282 O\n0.763261 0.279126 0.374564 O\n0.995256 0.735668 0.499581 O\n0.493745 0.994466 0.124788 O\n0.777482 0.515308 0.261641 O\n0.001540 0.987146 0.363613 O\n0.772635 0.749423 0.134607 O\n0.723899 0.487799 0.998169 O\n0.748253 0.237261 0.129985 O\n0.775607 0.039296 0.252031 O\n0.985560 0.511458 0.135888 O\n",
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            "chemical_system": "Ce-Gd-O",
            "density": 7.149933480370597,
            "density_atomic": 0.06604333057549368,
            "volume": 1317.3169681464035,
            "volume_molar": 9.118469204269056,
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            "updated_at": "2021-11-28T01:37:54.287000Z",
            "spacegroup": 1
        },
        {
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            "created_at": "2022-09-04T14:40:24.466844Z",
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0.872679 H\n0.134819 0.673028 0.627321 H\n0.692233 0.920314 0.641671 H\n0.692233 0.579686 0.858329 H\n0.807767 0.079686 0.141671 H\n0.807767 0.420314 0.358329 H\n0.307767 0.079686 0.358329 H\n0.307767 0.420314 0.141671 H\n0.192233 0.920314 0.858329 H\n0.192233 0.579686 0.641671 H\n0.424632 0.364031 0.708606 H\n0.424632 0.135969 0.791394 H\n0.075368 0.635969 0.208606 H\n0.075368 0.864031 0.291394 H\n0.575368 0.635969 0.291394 H\n0.575368 0.864031 0.208606 H\n0.924632 0.364031 0.791394 H\n0.924632 0.135969 0.708606 H\n0.449029 0.395208 0.742251 H\n0.449029 0.104792 0.757749 H\n0.050971 0.604792 0.242252 H\n0.050971 0.895208 0.257748 H\n0.550971 0.604792 0.257748 H\n0.550971 0.895208 0.242252 H\n0.949029 0.395208 0.757749 H\n0.949029 0.104792 0.742251 H\n0.296571 0.629832 0.902359 H\n0.296571 0.870168 0.597641 H\n0.203429 0.370168 0.402359 H\n0.203429 0.129832 0.097641 H\n0.703429 0.370168 0.097641 H\n0.703429 0.129832 0.402359 H\n0.796571 0.629832 0.597641 H\n0.796571 0.870168 0.902359 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            "structure_string": "Sr28 Ca4 Fe16 Co16 O80\n1.0\n-0.029044 -0.007094 10.867659\n11.305967 0.005591 -0.030129\n-5.630787 16.034688 -5.428072\nSr Ca Fe Co O\n28 4 16 16 80\ndirect\n0.306165 0.063440 0.610381 Sr\n0.309261 0.565222 0.609826 Sr\n0.808664 0.064528 0.610134 Sr\n0.806294 0.563600 0.108433 Sr\n0.806863 0.563761 0.610552 Sr\n0.198107 0.434130 0.388499 Sr\n0.197474 0.437872 0.893351 Sr\n0.195380 0.935423 0.387444 Sr\n0.201084 0.936189 0.892946 Sr\n0.695973 0.434431 0.389410 Sr\n0.699574 0.438007 0.893813 Sr\n0.696800 0.935735 0.388479 Sr\n0.699822 0.938824 0.893130 Sr\n0.055647 0.295712 0.109845 Sr\n0.055415 0.294989 0.609996 Sr\n0.059514 0.797066 0.609732 Sr\n0.557067 0.295191 0.108836 Sr\n0.558932 0.298121 0.609632 Sr\n0.558449 0.796298 0.108896 Sr\n0.555776 0.795106 0.609736 Sr\n0.446937 0.202619 0.385894 Sr\n0.449418 0.206362 0.893659 Sr\n0.444129 0.701937 0.386881 Sr\n0.450240 0.707497 0.893035 Sr\n0.943379 0.199459 0.387028 Sr\n0.948461 0.205000 0.893500 Sr\n0.947747 0.704814 0.388080 Sr\n0.950311 0.703919 0.892802 Sr\n0.306759 0.066315 0.105123 Ca\n0.301721 0.565296 0.105752 Ca\n0.798865 0.069127 0.105468 Ca\n0.054984 0.784253 0.106272 Ca\n0.103671 0.085405 0.244519 Fe\n0.108531 0.091654 0.751525 Fe\n0.109737 0.592298 0.248659 Fe\n0.108618 0.591269 0.750131 Fe\n0.604029 0.088654 0.246073 Fe\n0.608382 0.090769 0.749693 Fe\n0.603892 0.590323 0.247613 Fe\n0.609458 0.592287 0.751670 Fe\n0.356574 0.407613 0.246907 Fe\n0.357689 0.409549 0.750579 Fe\n0.350644 0.906956 0.245290 Fe\n0.358904 0.909730 0.751244 Fe\n0.857979 0.406898 0.250378 Fe\n0.858620 0.409018 0.751411 Fe\n0.857618 0.911073 0.246366 Fe\n0.858671 0.908084 0.750696 Fe\n0.009279 0.005273 0.009918 Co\n0.004580 0.000020 0.499443 Co\n0.007279 0.501280 0.004025 Co\n0.004496 0.499178 0.498974 Co\n0.508739 0.003159 0.004384 Co\n0.504265 0.001214 0.500196 Co\n0.506107 0.502352 0.003253 Co\n0.504465 0.499870 0.498971 Co\n0.257681 0.252849 0.004324 Co\n0.254867 0.249335 0.500306 Co\n0.259071 0.752781 0.007658 Co\n0.254029 0.749439 0.498381 Co\n0.756044 0.251220 0.002613 Co\n0.753742 0.249427 0.499458 Co\n0.759068 0.753047 0.004583 Co\n0.754281 0.749541 0.499707 Co\n0.117703 0.114155 0.491950 O\n0.124177 0.113834 0.995974 O\n0.119009 0.614679 0.492642 O\n0.126043 0.622627 0.996076 O\n0.618305 0.115410 0.492546 O\n0.627680 0.123281 0.994222 O\n0.618049 0.614456 0.492227 O\n0.623739 0.623134 0.993034 O\n0.136914 0.380222 0.013275 O\n0.139185 0.367153 0.505612 O\n0.144310 0.871649 0.015321 O\n0.136057 0.873356 0.506533 O\n0.633665 0.377064 0.009269 O\n0.635912 0.373474 0.506905 O\n0.640956 0.883031 0.011900 O\n0.638729 0.868062 0.505682 O\n0.367648 0.129190 0.491804 O\n0.374777 0.121663 0.995429 O\n0.370599 0.623909 0.491122 O\n0.370361 0.629154 0.995798 O\n0.869856 0.123373 0.491310 O\n0.873840 0.120606 0.995189 O\n0.867813 0.629061 0.492043 O\n0.879304 0.624582 0.995837 O\n0.382625 0.389460 0.013312 O\n0.388500 0.386605 0.505210 O\n0.385947 0.886976 0.014275 O\n0.388203 0.886677 0.504912 O\n0.884127 0.380796 0.010339 O\n0.888060 0.385601 0.505453 O\n0.895446 0.887799 0.014124 O\n0.888916 0.886683 0.505662 O\n0.093053 0.094582 0.139117 O\n0.082723 0.094134 0.641817 O\n0.089409 0.602111 0.142556 O\n0.081781 0.592450 0.639820 O\n0.591997 0.094700 0.140619 O\n0.580579 0.092202 0.639037 O\n0.585146 0.596778 0.141219 O\n0.583179 0.594619 0.642072 O\n0.441218 0.406609 0.356405 O\n0.440048 0.405887 0.858576 O\n0.437003 0.908885 0.355818 O\n0.441729 0.905409 0.859145 O\n0.941831 0.405712 0.360369 O\n0.942759 0.405043 0.859121 O\n0.941182 0.906870 0.355312 O\n0.942981 0.902676 0.858157 O\n0.333889 0.285291 0.142735 O\n0.331740 0.297417 0.640310 O\n0.333746 0.784431 0.141609 O\n0.333671 0.797820 0.642522 O\n0.835672 0.288718 0.145259 O\n0.833075 0.296875 0.642525 O\n0.840154 0.794607 0.141284 O\n0.832432 0.797136 0.640375 O\n0.188942 0.196918 0.354207 O\n0.191356 0.203678 0.859799 O\n0.191141 0.704209 0.357460 O\n0.192052 0.703569 0.858207 O\n0.684960 0.201098 0.355078 O\n0.692632 0.203047 0.856813 O\n0.686889 0.702194 0.357317 O\n0.694056 0.704946 0.859545 O\n0.422053 0.060374 0.239749 O\n0.431573 0.065884 0.750942 O\n0.422667 0.562567 0.241187 O\n0.431621 0.565634 0.750853 O\n0.923173 0.066669 0.240898 O\n0.931280 0.064740 0.750955 O\n0.933379 0.560797 0.248620 O\n0.931572 0.564867 0.750538 O\n0.181547 0.436699 0.249174 O\n0.180543 0.435409 0.750245 O\n0.169915 0.925687 0.241276 O\n0.181548 0.935988 0.750853 O\n0.681398 0.437210 0.249854 O\n0.681481 0.436313 0.751057 O\n0.681368 0.935841 0.249149 O\n0.681180 0.935173 0.749936 O\n",
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            "nelements": 5,
            "elements": [
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                "Ca",
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            "chemical_system": "Ca-Co-Fe-O-Sr",
            "density": 4.82979721742758,
            "density_atomic": 0.0730940416043717,
            "volume": 1970.0648211438818,
            "volume_molar": 8.238894207814361,
            "formula_full": "Sr28 Ca4 Fe16 Co16 O80",
            "formula_reduced": "Sr7CaFe4(CoO5)4",
            "formula_anonymous": "AB4C4D7E20",
            "energy": -1021.79198951,
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            "band_gap": 0.0,
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            "is_magnetic": true,
            "total_magnetization": 134.7757515,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:09.801000Z",
            "spacegroup": 1
        },
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            "created_at": "2022-09-04T14:46:52.911571Z",
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            "formula_full": "As16 H96 C32 S28 N8",
            "formula_reduced": "As4H24C8S7N2",
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    ]
}