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{
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"formula_full": "Mg16 Si2 W18 O98",
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"energy": -983.46443685,
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"updated_at": "2021-11-28T01:37:06.603000Z",
"spacegroup": 159
},
{
"id": "mp-1192381",
"created_at": "2022-09-04T14:45:35.295278Z",
"structure_string": "Hg4 Te4 O12 F4\n1.0\n0.000000 7.912018 0.000000\n0.000000 0.000000 6.258872\n8.087353 0.000000 0.000000\nHg Te O F\n4 4 12 4\ndirect\n0.385391 0.204004 0.639901 Hg\n0.614609 0.704004 0.360099 Hg\n0.385391 0.704004 0.860099 Hg\n0.614609 0.204004 0.139901 Hg\n0.807485 0.048637 0.614454 Te\n0.192515 0.548637 0.385546 Te\n0.807485 0.548637 0.885546 Te\n0.192515 0.048637 0.114454 Te\n0.577859 0.984007 0.673946 O\n0.422141 0.484007 0.326054 O\n0.577859 0.484007 0.826054 O\n0.422141 0.984007 0.173946 O\n0.795315 0.436210 0.113095 O\n0.204685 0.936210 0.886905 O\n0.795315 0.936210 0.386905 O\n0.204685 0.436210 0.613095 O\n0.881738 0.263538 0.786919 O\n0.118262 0.763538 0.213081 O\n0.881738 0.763538 0.713081 O\n0.118262 0.263538 0.286919 O\n0.734942 0.317925 0.497138 F\n0.265058 0.817925 0.502862 F\n0.734942 0.817925 0.002862 F\n0.265058 0.317925 0.997138 F\n",
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},
{
"id": "mp-556289",
"created_at": "2022-09-04T14:45:34.860654Z",
"structure_string": "Na8 Er4 Mo4 P4 O32\n1.0\n-3.452054 6.077114 9.104074\n3.452054 -6.077114 9.104074\n3.452054 6.077114 -9.104074\nNa Er Mo P O\n8 4 4 4 32\ndirect\n0.791553 0.350325 0.449900 Na\n0.291553 0.841653 0.441228 Na\n0.208447 0.649675 0.550100 Na\n0.599575 0.658347 0.949900 Na\n0.900425 0.850325 0.058772 Na\n0.708447 0.158347 0.558772 Na\n0.099575 0.149675 0.941228 Na\n0.400425 0.341653 0.050100 Na\n0.321729 0.250000 0.571729 Er\n0.178271 0.750000 0.928271 Er\n0.678271 0.750000 0.428271 Er\n0.821729 0.250000 0.071729 Er\n0.926991 0.676991 0.250000 Mo\n0.073009 0.323009 0.750000 Mo\n0.573009 0.823009 0.750000 Mo\n0.426991 0.176991 0.250000 Mo\n0.068772 0.250000 0.318772 P\n0.931228 0.750000 0.681228 P\n0.568772 0.250000 0.818772 P\n0.431228 0.750000 0.181228 P\n0.398823 0.811478 0.671935 O\n0.560350 0.327359 0.751806 O\n0.860457 0.688522 0.087345 O\n0.939650 0.691456 0.767009 O\n0.360457 0.273111 0.171935 O\n0.141870 0.067520 0.223056 O\n0.154683 0.168377 0.563549 O\n0.924447 0.191456 0.251806 O\n0.104828 0.591134 0.936451 O\n0.655535 0.081186 0.723056 O\n0.439650 0.672641 0.248194 O\n0.858130 0.932480 0.776944 O\n0.101177 0.773111 0.412655 O\n0.604828 0.668377 0.513694 O\n0.075553 0.808544 0.748194 O\n0.654683 0.091134 0.986306 O\n0.898823 0.226889 0.587345 O\n0.601177 0.188522 0.328065 O\n0.345317 0.908866 0.013694 O\n0.844465 0.567520 0.425651 O\n0.060350 0.308544 0.232991 O\n0.344465 0.918814 0.276944 O\n0.424447 0.172641 0.732991 O\n0.395172 0.331623 0.486306 O\n0.358130 0.581186 0.925651 O\n0.895172 0.408866 0.063549 O\n0.575553 0.827359 0.267009 O\n0.139543 0.311478 0.912655 O\n0.155535 0.432480 0.574349 O\n0.641870 0.418814 0.074349 O\n0.845317 0.831623 0.436451 O\n0.639543 0.726889 0.828065 O\n",
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"formula_full": "Na8 Er4 Mo4 P4 O32",
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{
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"structure_string": "Fe4 S4 O16 F4\n1.0\n0.000001 -7.240376 -0.000004\n6.421744 -0.000003 -3.663027\n0.029390 0.000004 7.433323\nFe S O F\n4 4 16 4\ndirect\n0.750005 0.750000 0.000004 Fe\n0.250001 0.750001 0.499996 Fe\n0.249997 0.250001 0.000001 Fe\n0.749999 0.250005 0.500005 Fe\n0.870211 0.500000 0.250000 S\n0.370211 0.000001 0.249999 S\n0.629789 0.999998 0.749998 S\n0.129789 0.500001 0.750001 S\n0.986151 0.337909 0.083412 O\n0.486153 0.837912 0.083413 O\n0.513848 0.162087 0.916586 O\n0.013849 0.662093 0.916592 O\n0.986152 0.662089 0.416589 O\n0.486152 0.162090 0.416588 O\n0.513847 0.837907 0.583409 O\n0.013847 0.337912 0.583413 O\n0.247636 0.903547 0.338362 O\n0.747636 0.403549 0.338367 O\n0.252363 0.596452 0.661634 O\n0.752364 0.096450 0.661633 O\n0.747635 0.596453 0.161636 O\n0.247636 0.096450 0.161631 O\n0.752363 0.903546 0.838364 O\n0.252365 0.403547 0.838364 O\n0.331871 0.500000 0.249999 F\n0.831874 0.000000 0.250000 F\n0.168128 0.000001 0.749998 F\n0.668128 0.500002 0.750003 F\n",
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"spacegroup": 15
},
{
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"structure_string": "Nb2 Fe2 Ni2 O8 F4\n1.0\n3.170242 0.000000 0.000000\n0.000000 7.142671 -2.019491\n0.000000 -7.449376 16.239853\nNb Fe Ni O F\n2 2 2 8 4\ndirect\n0.500000 0.438446 0.124491 Nb\n0.500000 0.560568 0.540284 Nb\n0.000000 0.004591 0.330208 Fe\n0.000000 0.049964 0.690011 Fe\n0.000000 0.961457 0.982043 Ni\n0.500000 0.497393 0.836717 Ni\n0.000000 0.690965 0.223815 O\n0.000000 0.274526 0.129269 O\n0.000000 0.738787 0.542766 O\n0.000000 0.321124 0.439548 O\n0.500000 0.204230 0.695307 O\n0.500000 0.815884 0.674391 O\n0.500000 0.177402 0.991759 O\n0.500000 0.793972 0.970452 O\n0.000000 0.669828 0.831225 F\n0.000000 0.312834 0.839663 F\n0.500000 0.639359 0.091437 F\n0.500000 0.348672 0.566614 F\n",
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{
"id": "mp-562797",
"created_at": "2022-09-04T14:45:34.968788Z",
"structure_string": "Ti8 Co4 P8 O40\n1.0\n6.475418 -0.000375 3.774486\n-6.470239 7.457737 3.663325\n-6.468366 -7.455304 3.661654\nTi Co P O\n8 4 8 40\ndirect\n0.792188 0.624782 0.402196 Ti\n0.792436 0.124836 0.902298 Ti\n0.292384 0.402156 0.124956 Ti\n0.292724 0.902107 0.625156 Ti\n0.707616 0.097844 0.375044 Ti\n0.707276 0.597893 0.874844 Ti\n0.207812 0.875218 0.097804 Ti\n0.207564 0.375164 0.597702 Ti\n0.000000 0.250000 0.250000 Co\n0.500000 0.750000 0.250000 Co\n0.000000 0.750000 0.750000 Co\n0.500000 0.250000 0.750000 Co\n0.496072 0.814110 0.935504 P\n0.495985 0.313977 0.435509 P\n0.503928 0.685890 0.564496 P\n0.504015 0.186023 0.064491 P\n0.996002 0.935540 0.314020 P\n0.995943 0.435492 0.813973 P\n0.003998 0.564460 0.185980 P\n0.004057 0.064508 0.686027 P\n0.499448 0.554791 0.213861 O\n0.499610 0.054947 0.713889 O\n0.999631 0.713750 0.555185 O\n0.999538 0.213867 0.054941 O\n0.500552 0.945209 0.286139 O\n0.500390 0.445053 0.786111 O\n0.000369 0.786250 0.944815 O\n0.000462 0.286132 0.445059 O\n0.573365 0.697524 0.932571 O\n0.573336 0.197490 0.432445 O\n0.926661 0.067541 0.802577 O\n0.926618 0.567518 0.302602 O\n0.073340 0.432459 0.697423 O\n0.073382 0.932482 0.197398 O\n0.426635 0.802476 0.567429 O\n0.426664 0.302510 0.067555 O\n0.183444 0.702851 0.198831 O\n0.183442 0.202874 0.698824 O\n0.816556 0.797149 0.301169 O\n0.816558 0.297126 0.801176 O\n0.683457 0.198838 0.202898 O\n0.682724 0.698579 0.702947 O\n0.316543 0.301162 0.297102 O\n0.317276 0.801421 0.797053 O\n0.412210 0.801588 0.051569 O\n0.412183 0.301557 0.551559 O\n0.912172 0.051593 0.301508 O\n0.911935 0.551511 0.801304 O\n0.087828 0.448407 0.198492 O\n0.088065 0.948489 0.698696 O\n0.587790 0.698412 0.448431 O\n0.587817 0.198443 0.948441 O\n0.675925 0.953995 0.961545 O\n0.675689 0.453915 0.461351 O\n0.175660 0.461447 0.953936 O\n0.175703 0.961470 0.453930 O\n0.324075 0.546005 0.538455 O\n0.324311 0.046085 0.038649 O\n0.824340 0.038553 0.546064 O\n0.824297 0.538530 0.046070 O\n",
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"formula_full": "Ti8 Co4 P8 O40",
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