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{
"id": "mp-16290",
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"structure_string": "Zn1 Ni3 C1\n1.0\n3.766253 0.000000 0.000000\n0.000000 3.766253 0.000000\n0.000000 0.000000 3.766253\nZn Ni C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 C\n",
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{
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{
"id": "mp-757217",
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"structure_string": "Li12 V6 P16 O58\n1.0\n-9.790965 0.000000 0.000000\n4.887430 8.492738 0.000000\n-0.034861 -0.095452 -13.994438\nLi V P O\n12 6 16 58\ndirect\n0.331277 0.095769 0.559598 Li\n0.658907 0.331885 0.888677 Li\n0.910329 0.679295 0.060977 Li\n0.770165 0.096632 0.061870 Li\n0.096977 0.760331 0.438682 Li\n0.902261 0.234630 0.563727 Li\n0.235948 0.903890 0.939728 Li\n0.233521 0.331688 0.438420 Li\n0.659952 0.896941 0.439854 Li\n0.668221 0.769889 0.938343 Li\n0.063317 0.073568 0.010795 Li\n0.958611 0.944007 0.507868 Li\n0.998358 0.563367 0.249708 V\n0.004090 0.436700 0.752343 V\n0.433960 0.999491 0.748437 V\n0.565871 0.998164 0.249125 V\n0.434011 0.433250 0.248873 V\n0.563944 0.561655 0.747510 V\n0.308323 0.221770 0.841402 P\n0.313964 0.086791 0.340289 P\n0.776743 0.694182 0.338686 P\n0.667694 0.332763 0.130004 P\n0.667144 0.330709 0.630175 P\n0.910035 0.685721 0.840109 P\n0.084255 0.772429 0.654792 P\n0.775926 0.094165 0.843160 P\n0.226190 0.911882 0.155670 P\n0.911847 0.228245 0.346373 P\n0.085705 0.307121 0.162653 P\n0.333204 0.667782 0.369511 P\n0.334994 0.670028 0.871056 P\n0.226925 0.309891 0.655600 P\n0.688321 0.911411 0.659800 P\n0.684634 0.769423 0.153792 P\n0.229195 0.226913 0.564299 O\n0.337136 0.254240 0.341967 O\n0.213744 0.987223 0.065590 O\n0.340506 0.080282 0.840570 O\n0.471512 0.374177 0.833270 O\n0.520499 0.325565 0.176414 O\n0.616797 0.541831 0.330772 O\n0.768417 0.770434 0.062386 O\n0.744881 0.667718 0.843120 O\n0.510350 0.185838 0.669280 O\n0.472212 0.090404 0.326633 O\n0.670459 0.478936 0.678912 O\n0.669903 0.333466 0.022117 O\n0.664913 0.327938 0.523903 O\n0.813857 0.489769 0.167461 O\n0.626252 0.108771 0.828673 O\n0.680040 0.188457 0.167539 O\n0.915535 0.660527 0.341061 O\n0.995048 0.791471 0.747646 O\n0.008836 0.787086 0.564656 O\n0.003777 0.768743 0.928451 O\n0.890278 0.519019 0.827324 O\n0.812777 0.322860 0.671505 O\n0.082020 0.742050 0.161479 O\n0.906319 0.380348 0.329871 O\n0.744400 0.082004 0.342756 O\n0.206153 0.002036 0.247611 O\n0.226484 0.997472 0.428902 O\n0.778663 0.995619 0.570127 O\n0.253368 0.917217 0.660640 O\n0.081921 0.616072 0.665347 O\n0.919177 0.258935 0.842107 O\n0.188502 0.677457 0.328333 O\n0.079062 0.459897 0.169538 O\n0.995755 0.200650 0.080526 O\n0.995631 0.230470 0.437601 O\n0.007428 0.207819 0.259510 O\n0.081021 0.330114 0.658758 O\n0.329932 0.816539 0.829754 O\n0.381412 0.911499 0.168336 O\n0.186453 0.524758 0.823285 O\n0.334080 0.672826 0.977204 O\n0.336654 0.679430 0.476380 O\n0.321399 0.510822 0.333158 O\n0.533876 0.917043 0.670450 O\n0.488948 0.810515 0.326783 O\n0.257358 0.341573 0.165949 O\n0.211551 0.197820 0.743120 O\n0.208712 0.211675 0.923355 O\n0.378212 0.469044 0.670702 O\n0.484410 0.669280 0.829635 O\n0.527901 0.620495 0.169883 O\n0.665866 0.917851 0.158745 O\n0.766691 0.002501 0.931817 O\n0.794492 0.002640 0.751793 O\n0.659043 0.744467 0.662905 O\n0.791264 0.802200 0.419957 O\n0.801925 0.790365 0.240469 O\n",
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],
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"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
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"updated_at": "2021-11-28T01:34:46.145000Z",
"spacegroup": 1
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{
"id": "mp-1206163",
"created_at": "2022-09-04T14:40:03.789293Z",
"structure_string": "In1 Ag3 F6\n1.0\n0.000000 4.432809 4.432809\n4.432809 0.000000 4.432809\n4.432809 4.432809 0.000000\nIn Ag F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n0.764430 0.235570 0.235570 F\n0.235570 0.764430 0.764430 F\n0.235570 0.764430 0.235570 F\n0.764430 0.235570 0.764430 F\n0.235570 0.235570 0.764430 F\n0.764430 0.764430 0.235570 F\n",
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"volume": 174.20758183791366,
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"formula_full": "In1 Ag3 F6",
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{
"id": "mp-683791",
"created_at": "2022-09-04T14:40:03.176840Z",
"structure_string": "Mn4 In2 C20 Cl2 O20\n1.0\n8.834930 0.000000 0.000000\n-0.576427 9.948000 0.000000\n-0.312194 -4.742155 9.344000\nMn In C Cl O\n4 2 20 2 20\ndirect\n0.760050 0.758673 0.594689 Mn\n0.244955 0.722665 0.075327 Mn\n0.239950 0.241327 0.405311 Mn\n0.755045 0.277335 0.924673 Mn\n0.152940 0.004462 0.148331 In\n0.847060 0.995538 0.851669 In\n0.565521 0.821768 0.637989 C\n0.306580 0.396421 0.576862 C\n0.964476 0.720646 0.574778 C\n0.693420 0.603579 0.423138 C\n0.606542 0.213261 0.010516 C\n0.114577 0.672786 0.916920 C\n0.434479 0.178232 0.362011 C\n0.378158 0.786583 0.236045 C\n0.732302 0.640828 0.689558 C\n0.393458 0.786739 0.989484 C\n0.267698 0.359172 0.310442 C\n0.621842 0.213417 0.763955 C\n0.913396 0.279981 0.813326 C\n0.035524 0.279354 0.425222 C\n0.885423 0.327214 0.083080 C\n0.086604 0.720019 0.186674 C\n0.705016 0.471756 0.995540 C\n0.294984 0.528244 0.004460 C\n0.205785 0.101437 0.475672 C\n0.794215 0.898563 0.524328 C\n0.854108 0.955551 0.082491 Cl\n0.145892 0.044449 0.917509 Cl\n0.646775 0.503589 0.315884 O\n0.328751 0.404976 0.952887 O\n0.290438 0.438968 0.259095 O\n0.039396 0.636222 0.812540 O\n0.960604 0.363778 0.187460 O\n0.353225 0.496411 0.684116 O\n0.443319 0.858205 0.660073 O\n0.709562 0.561032 0.740905 O\n0.089916 0.694015 0.556239 O\n0.671249 0.595024 0.047113 O\n0.910084 0.305985 0.443761 O\n0.556681 0.141795 0.339927 O\n0.814378 0.985347 0.480320 O\n0.460561 0.821929 0.335638 O\n0.489094 0.824720 0.936573 O\n0.011919 0.283071 0.743489 O\n0.510906 0.175280 0.063427 O\n0.185622 0.014653 0.519680 O\n0.539439 0.178071 0.664362 O\n0.988081 0.716929 0.256511 O\n",
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{
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"structure_string": "Cs2 Ag1 Bi1 Cl6\n1.0\n0.000000 5.479071 5.479071\n5.479071 0.000000 5.479071\n5.479071 5.479071 0.000000\nCs Ag Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.750887 0.249113 0.249113 Cl\n0.249113 0.249113 0.750887 Cl\n0.249113 0.750887 0.750887 Cl\n0.249113 0.750887 0.249113 Cl\n0.750887 0.249113 0.750887 Cl\n0.750887 0.750887 0.249113 Cl\n",
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{
"id": "mp-758511",
"created_at": "2022-09-04T14:40:03.281477Z",
"structure_string": "Li4 V4 P6 O24\n1.0\n8.302978 0.000000 0.000000\n-4.125561 7.377723 0.000000\n-4.098337 -2.504735 7.547099\nLi V P O\n4 4 6 24\ndirect\n0.058088 0.731857 0.143140 Li\n0.812633 0.074626 0.139674 Li\n0.187367 0.925374 0.860326 Li\n0.941912 0.268143 0.856860 Li\n0.699315 0.353099 0.055776 V\n0.291628 0.152877 0.435885 V\n0.708372 0.847123 0.564115 V\n0.300685 0.646901 0.944224 V\n0.788670 0.752647 0.252587 P\n0.499247 0.034294 0.253060 P\n0.213113 0.459084 0.243761 P\n0.786887 0.540916 0.756239 P\n0.500753 0.965706 0.746940 P\n0.211330 0.247353 0.747413 P\n0.715841 0.545386 0.206032 O\n0.009909 0.889006 0.268690 O\n0.817106 0.810270 0.434059 O\n0.299913 0.847774 0.091448 O\n0.390203 0.123793 0.289606 O\n0.660020 0.166909 0.202391 O\n0.031429 0.493430 0.204232 O\n0.236225 0.456987 0.081924 O\n0.626243 0.794587 0.113767 O\n0.572852 0.387904 0.587363 O\n0.862063 0.742951 0.733709 O\n0.382425 0.009095 0.581579 O\n0.617575 0.990905 0.418421 O\n0.137937 0.257049 0.266291 O\n0.427148 0.612096 0.412637 O\n0.373757 0.205413 0.886233 O\n0.763775 0.543013 0.918076 O\n0.968571 0.506570 0.795768 O\n0.339980 0.833091 0.797609 O\n0.609797 0.876207 0.710394 O\n0.700087 0.152226 0.908552 O\n0.182894 0.189730 0.565941 O\n0.990091 0.110994 0.731310 O\n0.284159 0.454614 0.793968 O\n",
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"formula_full": "Li4 V4 P6 O24",
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{
"id": "mp-1198034",
"created_at": "2022-09-04T14:40:03.298998Z",
"structure_string": "Cd4 H20 Br12 N8\n1.0\n18.133090 0.000000 0.000000\n0.000000 3.965573 0.000000\n0.000000 0.376761 10.104567\nCd H Br N\n4 20 12 8\ndirect\n0.569042 0.715252 0.148917 Cd\n0.069042 0.284748 0.351083 Cd\n0.430958 0.284748 0.851083 Cd\n0.930958 0.715252 0.648917 Cd\n0.586740 0.379724 0.539972 H\n0.086740 0.620276 0.960028 H\n0.413260 0.620276 0.460028 H\n0.913260 0.379724 0.039972 H\n0.637318 0.404618 0.676131 H\n0.137318 0.595382 0.823869 H\n0.362682 0.595382 0.323869 H\n0.862682 0.404618 0.176131 H\n0.736601 0.184366 0.576321 H\n0.236601 0.815634 0.923679 H\n0.263399 0.815634 0.423679 H\n0.763399 0.184366 0.076321 H\n0.693884 0.201128 0.427393 H\n0.193884 0.798872 0.072607 H\n0.306116 0.798872 0.572607 H\n0.806116 0.201128 0.927393 H\n0.666164 0.916783 0.546644 H\n0.166164 0.083217 0.953356 H\n0.333836 0.083217 0.453356 H\n0.833836 0.916783 0.046644 H\n0.709067 0.687698 0.247015 Br\n0.209067 0.312302 0.252985 Br\n0.290933 0.312302 0.752985 Br\n0.790933 0.687698 0.747015 Br\n0.517347 0.191207 0.318663 Br\n0.017347 0.808793 0.181337 Br\n0.482653 0.808793 0.681337 Br\n0.982653 0.191207 0.818663 Br\n0.408072 0.752742 0.042464 Br\n0.908072 0.247258 0.457536 Br\n0.591928 0.247258 0.957536 Br\n0.091928 0.752742 0.542464 Br\n0.638650 0.430804 0.574425 N\n0.138650 0.569196 0.925575 N\n0.361350 0.569196 0.425575 N\n0.861350 0.430804 0.074425 N\n0.686078 0.165209 0.528721 N\n0.186078 0.834791 0.971279 N\n0.313922 0.834791 0.471279 N\n0.813922 0.165209 0.028721 N\n",
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