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{
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{
"id": "mp-771515",
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"structure_string": "Li6 V3 W3 O16\n1.0\n6.074555 -0.017760 -0.052369\n-3.052524 5.279195 0.006509\n-0.086712 -0.036922 10.116526\nLi V W O\n6 3 3 16\ndirect\n0.329998 0.662282 0.515062 Li\n0.331448 0.668189 0.887745 Li\n0.990843 0.994781 0.996512 Li\n0.985817 0.990546 0.500448 Li\n0.658570 0.330457 0.008465 Li\n0.666515 0.334057 0.395445 Li\n0.666884 0.833733 0.213565 V\n0.837127 0.664552 0.714307 V\n0.832777 0.167508 0.714466 V\n0.172153 0.831005 0.215617 W\n0.171415 0.340797 0.215559 W\n0.342180 0.172023 0.714987 W\n0.163886 0.857695 0.608033 O\n0.024467 0.511625 0.329368 O\n0.324029 0.662589 0.098569 O\n0.013095 0.006196 0.321123 O\n0.021266 0.003125 0.817675 O\n0.157765 0.302059 0.609056 O\n0.483347 0.975440 0.319245 O\n0.482779 0.507637 0.318794 O\n0.306040 0.153666 0.102876 O\n0.700058 0.833850 0.616556 O\n0.503646 0.477450 0.820345 O\n0.507901 0.029382 0.820354 O\n0.646139 0.330513 0.602856 O\n0.855274 0.694842 0.109379 O\n0.968931 0.502873 0.813094 O\n0.855654 0.161430 0.108341 O\n",
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{
"id": "mp-1175428",
"created_at": "2022-09-04T14:45:05.287083Z",
"structure_string": "Li9 Co7 O16\n1.0\n5.063105 0.000000 0.000000\n1.677861 5.580961 0.000000\n2.487805 2.272210 9.796828\nLi Co O\n9 7 16\ndirect\n0.497333 0.691707 0.877420 Li\n0.501876 0.819576 0.118107 Li\n0.502667 0.308293 0.122580 Li\n0.502592 0.438048 0.373092 Li\n0.502482 0.936763 0.376964 Li\n0.497518 0.063237 0.623036 Li\n0.497408 0.561952 0.626908 Li\n0.498124 0.180424 0.881893 Li\n0.000000 0.000000 0.000000 Li\n0.995508 0.875657 0.759941 Co\n0.000000 0.500000 0.000000 Co\n0.004492 0.124343 0.240059 Co\n0.000632 0.248520 0.500544 Co\n0.003379 0.370564 0.754931 Co\n0.996621 0.629436 0.245069 Co\n0.999368 0.751480 0.499456 Co\n0.778892 0.695028 0.685574 O\n0.771315 0.827169 0.931733 O\n0.785598 0.358331 0.924990 O\n0.778239 0.474855 0.181031 O\n0.767404 0.942643 0.197225 O\n0.768280 0.095959 0.435713 O\n0.776468 0.593949 0.426284 O\n0.779020 0.224615 0.689733 O\n0.214402 0.641669 0.075010 O\n0.220980 0.775385 0.310267 O\n0.221108 0.304972 0.314426 O\n0.223532 0.406051 0.573716 O\n0.231720 0.904041 0.564287 O\n0.232596 0.057357 0.802775 O\n0.221761 0.525145 0.818969 O\n0.228685 0.172831 0.068267 O\n",
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"formula_full": "Li9 Co7 O16",
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"spacegroup": 2
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{
"id": "mp-1337118",
"created_at": "2022-09-04T14:45:03.575663Z",
"structure_string": "Ti2 Zn2 P4 O14\n1.0\n6.519599 0.000000 0.000000\n1.026626 6.526205 0.000000\n2.650959 0.309688 6.205437\nTi Zn P O\n2 2 4 14\ndirect\n0.900006 0.350959 0.220366 Ti\n0.099994 0.649041 0.779634 Ti\n0.705886 0.124014 0.831249 Zn\n0.294114 0.875986 0.168751 Zn\n0.776588 0.860817 0.239912 P\n0.223412 0.139183 0.760088 P\n0.353314 0.387347 0.337376 P\n0.646686 0.612653 0.662624 P\n0.376519 0.217912 0.524463 O\n0.623481 0.782088 0.475537 O\n0.916718 0.021274 0.254910 O\n0.083282 0.978726 0.745090 O\n0.748985 0.406463 0.551373 O\n0.251015 0.593537 0.448627 O\n0.403375 0.611794 0.821880 O\n0.596625 0.388206 0.178120 O\n0.390877 0.050640 0.866194 O\n0.609123 0.949360 0.133806 O\n0.066021 0.330260 0.873735 O\n0.933979 0.669740 0.126265 O\n0.796069 0.693307 0.753396 O\n0.203931 0.306693 0.246604 O\n",
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"density_atomic": 0.08332373208872389,
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"formula_full": "Ti2 Zn2 P4 O14",
"formula_reduced": "TiZnP2O7",
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{
"id": "mp-1025359",
"created_at": "2022-09-04T14:45:05.793111Z",
"structure_string": "Fe1 Ni2 Se4\n1.0\n1.791187 6.060237 0.000000\n-1.791187 6.060237 0.000000\n0.000000 3.062094 5.398291\nFe Ni Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.260458 0.260458 0.711550 Ni\n0.739542 0.739542 0.288450 Ni\n0.364518 0.364518 0.976489 Se\n0.635482 0.635482 0.023511 Se\n0.114845 0.114845 0.550063 Se\n0.885155 0.885155 0.449937 Se\n",
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"formula_full": "Fe1 Ni2 Se4",
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"updated_at": "2021-11-28T01:36:49.708000Z",
"spacegroup": 12
},
{
"id": "mp-1190996",
"created_at": "2022-09-04T14:45:04.580956Z",
"structure_string": "Cs2 Gd4 Cu6 Se10\n1.0\n2.082676 -7.373136 0.000000\n2.082676 7.373136 0.000000\n0.000000 0.000000 17.568869\nCs Gd Cu Se\n2 4 6 10\ndirect\n0.561090 0.438910 0.250000 Cs\n0.438910 0.561090 0.750000 Cs\n0.692194 0.307806 0.908655 Gd\n0.307806 0.692194 0.091345 Gd\n0.692194 0.307806 0.591345 Gd\n0.307806 0.692194 0.408655 Gd\n0.841573 0.158427 0.250000 Cu\n0.158427 0.841573 0.750000 Cu\n0.916437 0.083563 0.968427 Cu\n0.083563 0.916437 0.031573 Cu\n0.916437 0.083563 0.531573 Cu\n0.083563 0.916437 0.468427 Cu\n0.939814 0.060186 0.388839 Se\n0.060186 0.939814 0.611161 Se\n0.939814 0.060186 0.111161 Se\n0.060186 0.939814 0.888839 Se\n0.263526 0.736474 0.250000 Se\n0.736474 0.263526 0.750000 Se\n0.667200 0.332800 0.430156 Se\n0.332800 0.667200 0.569844 Se\n0.667200 0.332800 0.069844 Se\n0.332800 0.667200 0.930156 Se\n",
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],
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"updated_at": "2021-11-28T01:36:52.284000Z",
"spacegroup": 63
},
{
"id": "mp-1184370",
"created_at": "2022-09-04T14:45:05.176577Z",
"structure_string": "Gd2 Ni1 Ru1\n1.0\n0.000000 3.414874 3.414874\n3.414874 0.000000 3.414874\n3.414874 3.414874 0.000000\nGd Ni Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ru\n",
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],
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"volume": 79.64418043319525,
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"formula_full": "Gd2 Ni1 Ru1",
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"spacegroup": 225
},
{
"id": "mp-1196338",
"created_at": "2022-09-04T14:45:05.183024Z",
"structure_string": "Sc4 I20 N12\n1.0\n8.893027 0.000000 0.000000\n0.000000 9.024360 0.000000\n0.000000 0.000000 16.927264\nSc I N\n4 20 12\ndirect\n0.250000 0.948829 0.438987 Sc\n0.250000 0.551171 0.938987 Sc\n0.750000 0.051171 0.561013 Sc\n0.750000 0.448829 0.061013 Sc\n0.250000 0.711929 0.196082 I\n0.250000 0.788071 0.696082 I\n0.750000 0.288071 0.803918 I\n0.750000 0.211929 0.303918 I\n0.250000 0.132516 0.315436 I\n0.250000 0.367484 0.815436 I\n0.750000 0.867484 0.684564 I\n0.750000 0.632516 0.184564 I\n0.250000 0.625075 0.437921 I\n0.250000 0.874925 0.937921 I\n0.750000 0.374925 0.562079 I\n0.750000 0.125075 0.062079 I\n0.443304 0.191373 0.553520 I\n0.056696 0.308627 0.053520 I\n0.943304 0.808627 0.446480 I\n0.556696 0.691373 0.946480 I\n0.556696 0.808627 0.446480 I\n0.943304 0.691373 0.946480 I\n0.056696 0.191373 0.553520 I\n0.443304 0.308627 0.053520 I\n0.250000 0.048069 0.546874 N\n0.250000 0.451931 0.046874 N\n0.750000 0.951931 0.453126 N\n0.750000 0.548069 0.953126 N\n0.419586 0.669005 0.674042 N\n0.080414 0.830995 0.174042 N\n0.919586 0.330995 0.325958 N\n0.580414 0.169005 0.825958 N\n0.580414 0.330995 0.325958 N\n0.919586 0.169005 0.825958 N\n0.080414 0.669005 0.674042 N\n0.419586 0.830995 0.174042 N\n",
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"spacegroup": 62
},
{
"id": "mp-1041961",
"created_at": "2022-09-04T14:45:04.604661Z",
"structure_string": "Cr2 O4\n1.0\n1.431860 -2.613519 0.000000\n1.431860 2.613519 0.000000\n0.000000 0.000000 10.788489\nCr O\n2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.664097 0.335903 0.089199 O\n0.664097 0.335903 0.410801 O\n0.335903 0.664097 0.910801 O\n0.335903 0.664097 0.589199 O\n",
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"formula_full": "Cr2 O4",
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{
"id": "mp-1176713",
"created_at": "2022-09-04T14:45:03.621696Z",
"structure_string": "Li8 Mn8 P16 O56\n1.0\n9.736869 0.000000 0.000000\n0.140328 9.903765 0.000000\n0.057666 2.107321 10.948088\nLi Mn P O\n8 8 16 56\ndirect\n0.113923 0.919230 0.021610 Li\n0.584382 0.589417 0.979719 Li\n0.966745 0.602611 0.499733 Li\n0.787497 0.375731 0.452872 Li\n0.150662 0.354890 0.035235 Li\n0.890960 0.094460 0.978555 Li\n0.562642 0.086846 0.510626 Li\n0.272558 0.104368 0.550948 Li\n0.929013 0.797593 0.670378 Mn\n0.227281 0.724453 0.839131 Mn\n0.716799 0.789575 0.159062 Mn\n0.417617 0.684623 0.343692 Mn\n0.570485 0.302079 0.669405 Mn\n0.286754 0.243270 0.825582 Mn\n0.774069 0.292782 0.157324 Mn\n0.077110 0.186456 0.339008 Mn\n0.443133 0.981712 0.756395 P\n0.713350 0.878120 0.877946 P\n0.934467 0.939088 0.243961 P\n0.148283 0.859892 0.435625 P\n0.645657 0.621942 0.565576 P\n0.420547 0.573854 0.751149 P\n0.050523 0.478514 0.750488 P\n0.209775 0.625256 0.122961 P\n0.778535 0.384444 0.874178 P\n0.932489 0.539097 0.234527 P\n0.567026 0.436778 0.244335 P\n0.353042 0.360943 0.430608 P\n0.860375 0.119238 0.572176 P\n0.073680 0.063864 0.762064 P\n0.289618 0.120541 0.120158 P\n0.567737 0.041054 0.234808 P\n0.423722 0.992878 0.621039 O\n0.854356 0.967653 0.565651 O\n0.083524 0.915598 0.739948 O\n0.341105 0.898056 0.842227 O\n0.590885 0.910365 0.779596 O\n0.817932 0.797869 0.812328 O\n0.654440 0.777568 0.991248 O\n0.256110 0.979969 0.103608 O\n0.068495 0.864181 0.307726 O\n0.943970 0.940099 0.108354 O\n0.560152 0.899564 0.191644 O\n0.286907 0.795912 0.417264 O\n0.811399 0.848260 0.294685 O\n0.057268 0.772371 0.533873 O\n0.562630 0.706190 0.461132 O\n0.300498 0.668491 0.692121 O\n0.788344 0.674964 0.582320 O\n0.043693 0.624835 0.787777 O\n0.560706 0.631850 0.689772 O\n0.415860 0.597446 0.882860 O\n0.726541 0.517553 0.898186 O\n0.164188 0.731764 0.006453 O\n0.317514 0.690289 0.193201 O\n0.078968 0.609876 0.215371 O\n0.566385 0.584400 0.270915 O\n0.832297 0.632349 0.149179 O\n0.074136 0.478310 0.619029 O\n0.332207 0.507254 0.444909 O\n0.653515 0.466124 0.560167 O\n0.902979 0.523323 0.369171 O\n0.149180 0.387646 0.844541 O\n0.412743 0.422033 0.736802 O\n0.903519 0.407733 0.779359 O\n0.678780 0.297909 0.812236 O\n0.840367 0.287177 0.990453 O\n0.243154 0.488826 0.092593 O\n0.580428 0.429532 0.110837 O\n0.431956 0.361729 0.301795 O\n0.941471 0.397078 0.190885 O\n0.223314 0.277786 0.420534 O\n0.689757 0.345375 0.306061 O\n0.444670 0.272677 0.531657 O\n0.938751 0.211185 0.466658 O\n0.192298 0.156682 0.699920 O\n0.717823 0.184990 0.579652 O\n0.452403 0.133318 0.788963 O\n0.066342 0.079546 0.894133 O\n0.936376 0.133318 0.696723 O\n0.758439 0.010078 0.907759 O\n0.317818 0.228286 0.001866 O\n0.176506 0.195989 0.185982 O\n0.419931 0.115455 0.206422 O\n0.670274 0.130566 0.148227 O\n0.929283 0.086518 0.273922 O\n0.159518 0.008544 0.452278 O\n0.589918 0.033170 0.367167 O\n",
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{
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{
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}