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{
"id": "mp-556145",
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{
"id": "mp-546551",
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{
"id": "mp-1522724",
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"structure_string": "K2 Nd2 Sn2 W2 O12\n1.0\n6.060968 0.000000 0.000000\n-0.000000 6.060968 0.000000\n0.000000 0.000000 8.543494\nK Nd Sn W O\n2 2 2 2 12\ndirect\n-0.000000 -0.000000 0.750000 K\n-0.000000 -0.000000 0.250000 K\n-0.000000 0.500000 -0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.500000 0.500000 0.250000 Sn\n0.500000 0.500000 0.750000 Sn\n0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.000000 W\n0.764854 0.278680 0.500000 O\n0.721320 0.235146 -0.000000 O\n0.235146 0.721320 0.500000 O\n0.278680 0.764854 0.000000 O\n0.000000 0.500000 0.272227 O\n0.500000 0.000000 0.227773 O\n0.764854 0.721320 0.500000 O\n0.235146 0.278680 0.500000 O\n0.721320 0.764854 -0.000000 O\n0.278680 0.235146 0.000000 O\n-0.000000 0.500000 0.727773 O\n0.500000 0.000000 0.772227 O\n",
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{
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"structure_string": "Si48 O96\n1.0\n14.266482 0.000000 -5.043963\n-7.133241 12.355135 -5.043963\n-0.000000 -0.000000 15.131887\nSi O\n48 96\ndirect\n0.630222 0.394722 0.537824 Si\n0.143102 0.537824 0.407603 Si\n0.764501 0.869778 0.407603 Si\n0.894722 0.130222 0.037824 Si\n0.407603 0.764501 0.869778 Si\n0.907603 0.369778 0.264501 Si\n0.462176 0.592397 0.856898 Si\n0.092397 0.962176 0.356898 Si\n0.105278 0.735499 0.143102 Si\n0.592397 0.856898 0.462176 Si\n0.092397 0.630222 0.735499 Si\n0.962176 0.105278 0.869778 Si\n0.356898 0.764501 0.394722 Si\n0.369778 0.605278 0.462176 Si\n0.235499 0.130222 0.592397 Si\n0.869778 0.962176 0.105278 Si\n0.605278 0.462176 0.369778 Si\n0.105278 0.869778 0.962176 Si\n0.764501 0.394722 0.356898 Si\n0.143102 0.105278 0.735499 Si\n0.856898 0.894722 0.264501 Si\n0.856898 0.462176 0.592397 Si\n0.130222 0.592397 0.235499 Si\n0.264501 0.856898 0.894722 Si\n0.235499 0.605278 0.643102 Si\n0.630222 0.735499 0.092397 Si\n0.537824 0.407603 0.143102 Si\n0.037824 0.643102 0.907603 Si\n0.735499 0.092397 0.630222 Si\n0.369778 0.264501 0.907603 Si\n0.407603 0.143102 0.537824 Si\n0.735499 0.143102 0.105278 Si\n0.894722 0.264501 0.856898 Si\n0.130222 0.037824 0.894722 Si\n0.356898 0.092397 0.962176 Si\n0.394722 0.537824 0.630222 Si\n0.643102 0.235499 0.605278 Si\n0.869778 0.407603 0.764501 Si\n0.394722 0.356898 0.764501 Si\n0.907603 0.037824 0.643102 Si\n0.592397 0.235499 0.130222 Si\n0.037824 0.894722 0.130222 Si\n0.537824 0.630222 0.394722 Si\n0.962176 0.356898 0.092397 Si\n0.462176 0.369778 0.605278 Si\n0.643102 0.907603 0.037824 Si\n0.605278 0.643102 0.235499 Si\n0.264501 0.907603 0.369778 Si\n0.534242 0.181281 0.612037 O\n0.616799 0.840876 0.100368 O\n0.224076 0.840876 0.240507 O\n0.465758 0.818719 0.387963 O\n0.159124 0.899632 0.383200 O\n0.840876 0.100368 0.616799 O\n0.759493 0.483569 0.600368 O\n0.887963 0.318719 0.965758 O\n0.034242 0.422205 0.352961 O\n0.600368 0.759493 0.483569 O\n0.430756 0.612037 0.577795 O\n0.659124 0.883201 0.399632 O\n0.681281 0.147039 0.569244 O\n0.340876 0.116799 0.600368 O\n0.659124 0.275924 0.259493 O\n0.112037 0.930756 0.077795 O\n0.159124 0.759493 0.775924 O\n0.181281 0.069244 0.647039 O\n0.775924 0.159124 0.759493 O\n0.318719 0.965758 0.887963 O\n0.422205 0.569244 0.387963 O\n0.569244 0.387963 0.422205 O\n0.647039 0.181281 0.069244 O\n0.077795 0.465758 0.147039 O\n0.259493 0.659124 0.275924 O\n0.930756 0.077795 0.112037 O\n0.422205 0.352961 0.034242 O\n0.681281 0.034242 0.112037 O\n0.612037 0.577795 0.430756 O\n0.883201 0.983569 0.224076 O\n0.724076 0.740507 0.340876 O\n0.899632 0.016431 0.740507 O\n0.147039 0.077795 0.465758 O\n0.069244 0.922205 0.887963 O\n0.887963 0.069244 0.922205 O\n0.016431 0.775924 0.116799 O\n0.383200 0.724076 0.483569 O\n0.983569 0.224076 0.883201 O\n0.352961 0.034242 0.422205 O\n0.259493 0.100368 0.983569 O\n0.275924 0.259493 0.659124 O\n0.647039 0.965758 0.577795 O\n0.818719 0.930756 0.352961 O\n0.100368 0.983569 0.259493 O\n0.275924 0.516431 0.616799 O\n0.516431 0.399632 0.240507 O\n0.399632 0.240507 0.516431 O\n0.069244 0.647039 0.181281 O\n0.147039 0.569244 0.681281 O\n0.116799 0.600368 0.340876 O\n0.112037 0.681281 0.034242 O\n0.883201 0.399632 0.659124 O\n0.352961 0.818719 0.930756 O\n0.016431 0.740507 0.899632 O\n0.740507 0.899632 0.016431 O\n0.965758 0.577795 0.647039 O\n0.724076 0.483569 0.383200 O\n0.740507 0.340876 0.724076 O\n0.387963 0.465758 0.818719 O\n0.383200 0.159124 0.899632 O\n0.922205 0.534242 0.852961 O\n0.534242 0.852961 0.922205 O\n0.775924 0.116799 0.016431 O\n0.240507 0.516431 0.399632 O\n0.759493 0.775924 0.159124 O\n0.483569 0.383200 0.724076 O\n0.965758 0.887963 0.318719 O\n0.399632 0.659124 0.883201 O\n0.387963 0.422205 0.569244 O\n0.577795 0.647039 0.965758 O\n0.240507 0.224076 0.840876 O\n0.318719 0.852961 0.430756 O\n0.852961 0.430756 0.318719 O\n0.430756 0.318719 0.852961 O\n0.922205 0.887963 0.069244 O\n0.899632 0.383200 0.159124 O\n0.116799 0.016431 0.775924 O\n0.840876 0.240507 0.224076 O\n0.577795 0.430756 0.612037 O\n0.034242 0.112037 0.681281 O\n0.930756 0.352961 0.818719 O\n0.340876 0.724076 0.740507 O\n0.600368 0.340876 0.116799 O\n0.516431 0.616799 0.275924 O\n0.852961 0.922205 0.534242 O\n0.569244 0.681281 0.147039 O\n0.483569 0.600368 0.759493 O\n0.077795 0.112037 0.930756 O\n0.465758 0.147039 0.077795 O\n0.616799 0.275924 0.516431 O\n0.224076 0.883201 0.983569 O\n0.983569 0.259493 0.100368 O\n0.100368 0.616799 0.840876 O\n0.181281 0.612037 0.534242 O\n0.612037 0.534242 0.181281 O\n0.818719 0.387963 0.465758 O\n",
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{
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"structure_string": "Na1 Li1 Mg6 O7\n1.0\n8.700232 0.000000 0.000000\n0.000000 4.302610 0.000000\n0.000000 0.000000 4.302610\nNa Li Mg O\n1 1 6 7\ndirect\n0.992937 0.500000 0.500000 Na\n0.012559 0.000000 0.000000 Li\n0.495748 0.000000 -0.000000 Mg\n0.518548 0.500000 0.500000 Mg\n0.234983 0.000000 0.500000 Mg\n0.779147 0.000000 0.500000 Mg\n0.234983 0.500000 0.000000 Mg\n0.779147 0.500000 0.000000 Mg\n0.254595 0.000000 0.000000 O\n0.736196 0.000000 0.000000 O\n0.739910 0.500000 0.500000 O\n0.014813 0.000000 0.500000 O\n0.470811 0.000000 0.500000 O\n0.014813 0.500000 -0.000000 O\n0.470811 0.500000 -0.000000 O\n",
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{
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{
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"structure_string": "Ga50 N50\n1.0\n11.846727 -0.157690 0.309897\n-0.161702 11.523321 0.326544\n0.320181 0.332375 11.513651\nGa N\n50 50\ndirect\n0.912576 0.950330 0.442881 Ga\n0.079485 0.753979 0.365536 Ga\n0.810366 0.833028 0.001841 Ga\n0.074016 0.839036 0.952377 Ga\n0.204641 0.218471 0.189824 Ga\n0.245009 0.851761 0.804733 Ga\n0.610824 0.771131 0.755421 Ga\n0.938862 0.162600 0.270251 Ga\n0.348829 0.124463 0.624882 Ga\n0.437595 0.109327 0.109190 Ga\n0.378105 0.869669 0.614157 Ga\n0.366047 0.905381 0.985408 Ga\n0.465405 0.305810 0.188645 Ga\n0.746900 0.395076 0.202627 Ga\n0.108290 0.150819 0.503311 Ga\n0.633041 0.006223 0.931478 Ga\n0.073659 0.990214 0.685231 Ga\n0.525938 0.516401 0.841254 Ga\n0.067877 0.779339 0.616704 Ga\n0.072589 0.406826 0.411680 Ga\n0.670971 0.952301 0.438624 Ga\n0.473749 0.375996 0.597186 Ga\n0.951976 0.572552 0.330847 Ga\n0.847599 0.236097 0.866755 Ga\n0.272703 0.295354 0.423121 Ga\n0.390219 0.689483 0.930447 Ga\n0.927142 0.625849 0.069077 Ga\n0.254487 0.510989 0.285168 Ga\n0.316005 0.710530 0.151273 Ga\n0.763180 0.120218 0.112555 Ga\n0.886560 0.414000 0.630595 Ga\n0.855571 0.154057 0.558391 Ga\n0.569290 0.033682 0.650262 Ga\n0.808533 0.704715 0.529999 Ga\n0.225181 0.929031 0.179582 Ga\n0.120206 0.571645 0.595732 Ga\n0.683773 0.499198 0.696533 Ga\n0.793453 0.929560 0.704338 Ga\n0.913523 0.703104 0.768732 Ga\n0.791417 0.762934 0.302045 Ga\n0.768429 0.428348 0.422670 Ga\n0.941766 0.307690 0.065639 Ga\n0.975206 0.902810 0.146175 Ga\n0.657516 0.253808 0.657573 Ga\n0.668290 0.663362 0.000574 Ga\n0.374157 0.634135 0.679066 Ga\n0.326846 0.756873 0.394651 Ga\n0.546308 0.766725 0.468448 Ga\n0.604987 0.329387 0.981589 Ga\n0.786001 0.490283 0.925227 Ga\n0.592423 0.205497 0.381869 N\n0.411593 0.184343 0.807630 N\n0.332892 0.022072 0.436487 N\n0.780537 0.000894 0.549110 N\n0.959323 0.796378 0.487374 N\n0.773510 0.758211 0.693771 N\n0.789528 0.302231 0.545733 N\n0.501864 0.742805 0.637494 N\n0.854592 0.008751 0.213189 N\n0.326187 0.410853 0.006987 N\n0.599054 0.388609 0.139389 N\n0.553813 0.681172 0.895406 N\n0.297751 0.556516 0.551197 N\n0.783116 0.536241 0.555032 N\n0.208423 0.348551 0.731673 N\n0.921875 0.025544 0.754730 N\n0.053020 0.242662 0.171962 N\n0.617531 0.739203 0.248935 N\n0.386085 0.263555 0.527201 N\n0.936219 0.735850 0.926919 N\n0.095509 0.616157 0.111595 N\n0.156827 0.694927 0.072663 N\n0.377006 0.156808 0.898864 N\n0.085752 0.891330 0.262382 N\n0.501639 0.509859 0.343235 N\n0.367431 0.562707 0.830082 N\n0.037105 0.434737 0.572301 N\n0.498419 0.985047 0.028334 N\n0.551775 0.468589 0.414211 N\n0.122744 0.544750 0.828924 N\n0.580561 0.703099 0.166808 N\n0.968491 0.113995 0.430705 N\n0.806169 0.938273 0.313865 N\n0.314411 0.586512 0.442097 N\n0.283096 0.082214 0.161056 N\n0.872390 0.756542 0.155182 N\n0.243134 0.363343 0.004402 N\n0.077361 0.493625 0.903430 N\n0.126041 0.117713 0.887382 N\n0.866168 0.466751 0.075143 N\n0.818034 0.245161 0.193846 N\n0.600544 0.120262 0.338998 N\n0.241667 0.032668 0.412943 N\n0.299946 0.368695 0.741758 N\n0.889036 0.138879 0.729058 N\n0.701750 0.160723 0.963977 N\n0.637460 0.942971 0.778142 N\n0.091127 0.206812 0.875262 N\n0.315200 0.335003 0.257430 N\n0.807839 0.393241 0.786268 N\n",
"nsites": 100,
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"elements": [
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"N"
],
"chemical_system": "Ga-N",
"density": 4.430693231793563,
"density_atomic": 0.06373427425503962,
"volume": 1569.014492890264,
"volume_molar": 9.44882613066519,
"formula_full": "Ga50 N50",
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},
{
"id": "mp-1235867",
"created_at": "2022-09-04T14:42:26.379061Z",
"structure_string": "Ba6 Li1 Nb2 Ir1 Cl2 O12\n1.0\n5.963607 0.000019 -0.000097\n-2.981787 5.164628 -0.000024\n-0.000091 -0.000152 15.559775\nBa Li Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.333364 0.666692 0.380871 Ba\n0.333321 0.666656 0.787246 Ba\n0.666649 0.333319 0.640524 Ba\n0.666670 0.333337 0.918687 Ba\n0.333347 0.666678 0.035941 Ba\n0.666673 0.333339 0.207197 Ba\n0.333321 0.666657 0.209443 Li\n0.999999 0.999999 0.817329 Nb\n0.000000 0.000001 0.182869 Nb\n0.000004 0.000001 0.001057 Ir\n0.666668 0.333331 0.425285 Cl\n0.333327 0.666663 0.581633 Cl\n0.154898 0.309793 0.912971 O\n0.326965 0.163483 0.759014 O\n0.163999 0.327998 0.246937 O\n0.836508 0.673028 0.759011 O\n0.836510 0.163479 0.759012 O\n0.848269 0.696534 0.088329 O\n0.163994 0.836000 0.246933 O\n0.303473 0.151737 0.088335 O\n0.848271 0.151735 0.088331 O\n0.690208 0.845103 0.912968 O\n0.671999 0.835999 0.246928 O\n0.154897 0.845104 0.912970 O\n",
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],
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"density": 5.099822209166749,
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"volume": 479.2390213999535,
"volume_molar": 12.025186852313219,
"formula_full": "Ba6 Li1 Nb2 Ir1 Cl2 O12",
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},
{
"id": "mp-697211",
"created_at": "2022-09-04T14:43:02.274765Z",
"structure_string": "Na8 Ca4 Pb12 C20 O60\n1.0\n5.363618 9.257876 0.000000\n-5.363618 9.257876 0.000000\n0.000000 0.231052 13.515939\nNa Ca Pb C O\n8 4 12 20 60\ndirect\n0.526424 0.522966 0.404637 Na\n0.522966 0.526424 0.904637 Na\n0.949713 0.526350 0.904811 Na\n0.526350 0.949713 0.404811 Na\n0.473394 0.051841 0.156762 Na\n0.478780 0.047552 0.652293 Na\n0.047552 0.478780 0.152293 Na\n0.051841 0.473394 0.656762 Na\n0.953583 0.522430 0.410529 Ca\n0.522430 0.953583 0.910529 Ca\n0.473434 0.480165 0.161338 Ca\n0.480165 0.473434 0.661338 Ca\n0.850208 0.309620 0.247049 Pb\n0.854170 0.314134 0.749001 Pb\n0.314134 0.854170 0.249001 Pb\n0.309620 0.850208 0.747049 Pb\n0.167838 0.147264 0.499408 Pb\n0.147264 0.167838 0.999408 Pb\n0.836094 0.848258 0.241048 Pb\n0.848258 0.836094 0.741048 Pb\n0.688362 0.161401 0.995869 Pb\n0.686511 0.151094 0.491599 Pb\n0.161401 0.688362 0.495869 Pb\n0.151094 0.686511 0.991599 Pb\n0.000884 0.999362 0.925222 C\n0.792560 0.409349 0.027726 C\n0.795048 0.409106 0.526986 C\n0.998379 0.000836 0.675162 C\n0.666081 0.664091 0.249709 C\n0.409106 0.795048 0.026986 C\n0.664091 0.666081 0.749709 C\n0.409349 0.792560 0.527726 C\n0.798246 0.793137 0.525145 C\n0.793137 0.798246 0.025145 C\n0.202054 0.207231 0.277973 C\n0.207231 0.202054 0.777973 C\n0.591480 0.205831 0.274974 C\n0.590573 0.203784 0.777101 C\n0.999362 0.000884 0.425222 C\n0.335856 0.330588 0.999601 C\n0.330588 0.335856 0.499601 C\n0.203784 0.590573 0.277101 C\n0.205831 0.591480 0.774974 C\n0.000836 0.998379 0.175162 C\n0.929443 0.140642 0.425872 O\n0.930772 0.139943 0.927890 O\n0.699762 0.381895 0.075554 O\n0.703445 0.381164 0.573571 O\n0.911413 0.379964 0.074245 O\n0.914036 0.383065 0.571070 O\n0.770279 0.461551 0.438913 O\n0.768252 0.460004 0.940221 O\n0.381164 0.703445 0.073571 O\n0.381895 0.699762 0.575554 O\n0.593033 0.596477 0.743584 O\n0.596477 0.593033 0.243584 O\n0.460004 0.768252 0.440221 O\n0.806974 0.593300 0.256693 O\n0.139943 0.930772 0.427890 O\n0.461551 0.770279 0.938913 O\n0.803808 0.596471 0.748437 O\n0.140642 0.929443 0.925872 O\n0.071072 0.069110 0.178431 O\n0.069110 0.071072 0.678431 O\n0.593300 0.806974 0.756693 O\n0.596471 0.803808 0.248437 O\n0.383065 0.914036 0.071070 O\n0.379964 0.911413 0.574245 O\n0.765113 0.771670 0.938617 O\n0.771670 0.765113 0.438617 O\n0.912044 0.709131 0.070410 O\n0.917924 0.699764 0.569717 O\n0.291014 0.087585 0.325208 O\n0.299869 0.082958 0.825091 O\n0.699764 0.917924 0.069717 O\n0.709131 0.912044 0.570410 O\n0.087585 0.291014 0.825208 O\n0.082958 0.299869 0.325091 O\n0.228203 0.232160 0.190182 O\n0.232160 0.228203 0.690182 O\n0.623004 0.085878 0.321365 O\n0.619030 0.084276 0.823271 O\n0.406878 0.190065 0.993802 O\n0.400292 0.196170 0.497394 O\n0.929893 0.929900 0.426241 O\n0.929900 0.929893 0.926241 O\n0.860345 0.069740 0.175316 O\n0.196170 0.400292 0.997394 O\n0.537687 0.232846 0.187756 O\n0.859075 0.070050 0.676129 O\n0.190065 0.406878 0.493802 O\n0.537845 0.231172 0.689494 O\n0.406689 0.400723 0.007206 O\n0.400723 0.406689 0.507206 O\n0.615103 0.300739 0.318690 O\n0.616125 0.297104 0.820886 O\n0.231172 0.537845 0.189494 O\n0.232846 0.537687 0.687756 O\n0.085878 0.623004 0.821365 O\n0.084276 0.619030 0.323271 O\n0.297104 0.616125 0.320886 O\n0.300739 0.615103 0.818690 O\n0.070050 0.859075 0.176129 O\n0.069740 0.860345 0.675316 O\n",
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"C",
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],
"chemical_system": "C-Ca-Na-O-Pb",
"density": 4.9864998244381455,
"density_atomic": 0.07747969839279575,
"volume": 1342.2871043296443,
"volume_molar": 7.772540271736465,
"formula_full": "Na8 Ca4 Pb12 C20 O60",
"formula_reduced": "Na2CaPb3(CO3)5",
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"energy": -757.1585241700001,
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"updated_at": "2021-11-28T01:36:02.591000Z",
"spacegroup": 9
},
{
"id": "mp-684742",
"created_at": "2022-09-04T14:42:25.926721Z",
"structure_string": "Sr4 La4 Ta4 Mn4 O24\n1.0\n-5.709581 5.865939 0.012336\n-5.709620 -5.865977 0.012348\n-5.677022 -0.000027 8.139720\nSr La Ta Mn O\n4 4 4 4 24\ndirect\n0.391371 0.352887 0.248595 Sr\n0.891366 0.852882 0.248597 Sr\n0.102880 0.641366 0.748591 Sr\n0.602880 0.141370 0.748599 Sr\n0.410040 0.855821 0.245377 La\n0.910041 0.355819 0.245377 La\n0.105820 0.160033 0.745382 La\n0.605815 0.660035 0.745384 La\n0.748377 0.252902 0.999549 Ta\n0.248384 0.752913 0.999543 Ta\n0.002913 0.998383 0.499544 Ta\n0.502910 0.498382 0.499546 Ta\n0.997972 0.504568 0.498750 Mn\n0.254566 0.247984 0.998745 Mn\n0.497964 0.004568 0.498754 Mn\n0.754579 0.747974 0.998745 Mn\n0.347617 0.816025 0.761475 O\n0.847619 0.316025 0.761479 O\n0.566033 0.597619 0.261478 O\n0.066024 0.097616 0.261480 O\n0.761774 0.991003 0.047377 O\n0.261774 0.490998 0.047381 O\n0.241002 0.511775 0.547375 O\n0.740996 0.011770 0.547386 O\n0.559672 0.756296 0.462722 O\n0.059674 0.256293 0.462722 O\n0.006294 0.309672 0.962723 O\n0.506297 0.809670 0.962719 O\n0.487318 0.175195 0.048301 O\n0.987323 0.675192 0.048298 O\n0.925191 0.737320 0.548306 O\n0.425188 0.237321 0.548306 O\n0.260975 0.968713 0.449555 O\n0.760973 0.468712 0.449556 O\n0.718711 0.510972 0.949560 O\n0.218715 0.010978 0.949554 O\n0.945039 0.916436 0.738292 O\n0.445041 0.416438 0.738288 O\n0.166433 0.695039 0.238291 O\n0.666438 0.195035 0.238293 O\n",
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],
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"formula_full": "Sr4 La4 Ta4 Mn4 O24",
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},
{
"id": "mp-763832",
"created_at": "2022-09-04T14:43:56.379932Z",
"structure_string": "Li12 Mn4 P4 C4 O28\n1.0\n-0.387096 6.517681 -0.042702\n-0.441217 -0.798385 8.536320\n10.576357 -0.071944 -0.441329\nLi Mn P C O\n12 4 4 4 28\ndirect\n0.752308 0.120514 0.106064 Li\n0.752074 0.120536 0.606168 Li\n0.142369 0.874555 0.020988 Li\n0.142287 0.874572 0.521072 Li\n0.410685 0.745202 0.206315 Li\n0.410639 0.745076 0.706426 Li\n0.485260 0.249601 0.420875 Li\n0.485134 0.249560 0.920851 Li\n0.928343 0.750732 0.254376 Li\n0.928275 0.750616 0.754427 Li\n0.967811 0.243812 0.372757 Li\n0.967869 0.243828 0.872761 Li\n0.208314 0.353300 0.655264 Mn\n0.688035 0.641317 0.972012 Mn\n0.208516 0.353136 0.155472 Mn\n0.687751 0.641742 0.471636 Mn\n0.701670 0.410967 0.206358 P\n0.701657 0.411028 0.706255 P\n0.194673 0.583706 0.420863 P\n0.194701 0.583534 0.920910 P\n0.189885 0.042674 0.212053 C\n0.189832 0.042603 0.712061 C\n0.706529 0.951845 0.415421 C\n0.706514 0.951751 0.915412 C\n0.738302 0.902175 0.027434 O\n0.738276 0.902310 0.527434 O\n0.158858 0.092584 0.100150 O\n0.158870 0.092573 0.600166 O\n0.525166 0.314243 0.117275 O\n0.525143 0.314206 0.617232 O\n0.371317 0.680242 0.009905 O\n0.371216 0.680298 0.509992 O\n0.756857 0.573821 0.158536 O\n0.756770 0.573833 0.658385 O\n0.139504 0.420811 0.468537 O\n0.139575 0.420704 0.968742 O\n0.888693 0.309671 0.202028 O\n0.888711 0.309696 0.701962 O\n0.007567 0.684950 0.425189 O\n0.007597 0.684798 0.925236 O\n0.179818 0.891136 0.218236 O\n0.179716 0.891053 0.718183 O\n0.716106 0.103304 0.408908 O\n0.716103 0.103217 0.908965 O\n0.256450 0.565969 0.281388 O\n0.256262 0.565711 0.781410 O\n0.639851 0.428778 0.345789 O\n0.639888 0.428733 0.845722 O\n0.670352 0.850537 0.316203 O\n0.670343 0.850527 0.816154 O\n0.225776 0.143644 0.311522 O\n0.225701 0.143507 0.811576 O\n",
"nsites": 52,
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],
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"volume": 586.4316975420007,
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"formula_full": "Li12 Mn4 P4 C4 O28",
"formula_reduced": "Li3MnPCO7",
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"energy": -382.50897672,
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"updated_at": "2021-11-28T01:36:18.504000Z",
"spacegroup": 2
}
]
}