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{
"id": "mp-22720",
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"structure_string": "Rb1 Sr2 Nb3 O10\n1.0\n3.986082 0.000000 0.000000\n0.000000 3.986082 0.000000\n0.000000 0.000000 15.440419\nRb Sr Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.147414 Sr\n0.500000 0.500000 0.852586 Sr\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.287392 Nb\n0.000000 0.000000 0.712608 Nb\n0.000000 0.000000 0.596491 O\n0.000000 0.000000 0.403509 O\n0.500000 0.000000 0.739336 O\n0.000000 0.500000 0.739336 O\n0.500000 0.000000 0.260664 O\n0.000000 0.500000 0.260664 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.128741 O\n0.000000 0.000000 0.871259 O\n",
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{
"id": "mp-1080357",
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"structure_string": "Ce8 Se16\n1.0\n6.074398 0.000000 0.000000\n0.000000 15.590844 0.000000\n0.000000 0.000000 15.742774\nCe Se\n8 16\ndirect\n0.331700 0.658728 0.383129 Ce\n0.331700 0.341272 0.616871 Ce\n0.668300 0.841272 0.116871 Ce\n0.668300 0.158728 0.883129 Ce\n0.668300 0.658728 0.616871 Ce\n0.668300 0.341272 0.383129 Ce\n0.331700 0.841272 0.883129 Ce\n0.331700 0.158728 0.116871 Ce\n0.000000 0.865427 0.000000 Se\n0.000000 0.134573 0.000000 Se\n0.000000 0.634573 0.500000 Se\n0.000000 0.365427 0.500000 Se\n0.500000 0.731836 0.000000 Se\n0.500000 0.268164 0.000000 Se\n0.500000 0.768164 0.500000 Se\n0.500000 0.231836 0.500000 Se\n0.500000 0.000000 0.849933 Se\n0.500000 0.000000 0.150067 Se\n0.500000 0.500000 0.650067 Se\n0.500000 0.500000 0.349933 Se\n0.500000 0.750000 0.250000 Se\n0.500000 0.250000 0.750000 Se\n0.500000 0.750000 0.750000 Se\n0.500000 0.250000 0.250000 Se\n",
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{
"id": "mp-699550",
"created_at": "2022-09-04T14:44:41.069030Z",
"structure_string": "K4 Cu12 Ag4 Mo16 O64\n1.0\n14.752950 0.000000 0.000000\n0.000000 5.114327 0.000000\n0.000000 1.246821 20.023358\nK Cu Ag Mo O\n4 12 4 16 64\ndirect\n0.027949 0.807815 0.099235 K\n0.527949 0.192185 0.400765 K\n0.472051 0.807815 0.599235 K\n0.972051 0.192185 0.900765 K\n0.294282 0.226396 0.327498 Cu\n0.059996 0.291388 0.612596 Cu\n0.794282 0.773604 0.172502 Cu\n0.324598 0.806830 0.071941 Cu\n0.940004 0.708612 0.387404 Cu\n0.205718 0.226396 0.827498 Cu\n0.824598 0.193170 0.428059 Cu\n0.175402 0.806830 0.571941 Cu\n0.440004 0.291388 0.112596 Cu\n0.705718 0.773604 0.672502 Cu\n0.675402 0.193170 0.928059 Cu\n0.559996 0.708612 0.887404 Cu\n0.138143 0.725049 0.291067 Ag\n0.361857 0.725049 0.791067 Ag\n0.638143 0.274951 0.208933 Ag\n0.861857 0.274951 0.708933 Ag\n0.229965 0.278701 0.170487 Mo\n0.900098 0.249524 0.271201 Mo\n0.584388 0.806708 0.070356 Mo\n0.322063 0.676535 0.439656 Mo\n0.400098 0.750476 0.228799 Mo\n0.599902 0.249524 0.771201 Mo\n0.729965 0.721299 0.329513 Mo\n0.822063 0.323465 0.060344 Mo\n0.677937 0.323465 0.560344 Mo\n0.915612 0.806708 0.570356 Mo\n0.084388 0.193292 0.429644 Mo\n0.099902 0.750476 0.728799 Mo\n0.415612 0.193292 0.929644 Mo\n0.177937 0.676535 0.939656 Mo\n0.770035 0.721299 0.829513 Mo\n0.270035 0.278701 0.670487 Mo\n0.810986 0.924954 0.889745 O\n0.357050 0.506912 0.681735 O\n0.189014 0.075046 0.110255 O\n0.835439 0.618405 0.618348 O\n0.628293 0.016482 0.848497 O\n0.871707 0.016482 0.348497 O\n0.015629 0.607600 0.562139 O\n0.753110 0.375593 0.489562 O\n0.984371 0.392400 0.437861 O\n0.128293 0.983518 0.651503 O\n0.238257 0.068672 0.249468 O\n0.006474 0.553530 0.710362 O\n0.812167 0.464694 0.232930 O\n0.761743 0.931328 0.750532 O\n0.164561 0.381595 0.381652 O\n0.575872 0.191716 0.532092 O\n0.924128 0.191716 0.032092 O\n0.553218 0.098119 0.113709 O\n0.268474 0.904750 0.379543 O\n0.768474 0.095250 0.120457 O\n0.738257 0.931328 0.250532 O\n0.310986 0.075046 0.610255 O\n0.671106 0.511908 0.866556 O\n0.493526 0.553530 0.210362 O\n0.644283 0.625096 0.598338 O\n0.828894 0.511908 0.366556 O\n0.446782 0.901881 0.886291 O\n0.371707 0.983518 0.151503 O\n0.857050 0.493088 0.818265 O\n0.171106 0.488092 0.633444 O\n0.075872 0.808284 0.967908 O\n0.424128 0.808284 0.467908 O\n0.187833 0.535306 0.767070 O\n0.855717 0.625096 0.098338 O\n0.053218 0.901881 0.386291 O\n0.328894 0.488092 0.133444 O\n0.253110 0.624407 0.010438 O\n0.946782 0.098119 0.613709 O\n0.355717 0.374904 0.401662 O\n0.731526 0.095250 0.620457 O\n0.061500 0.956986 0.789392 O\n0.246890 0.624407 0.510438 O\n0.746890 0.375593 0.989562 O\n0.938500 0.043014 0.210608 O\n0.312167 0.535306 0.267070 O\n0.144283 0.374904 0.901662 O\n0.335439 0.381595 0.881652 O\n0.142950 0.506912 0.181735 O\n0.664561 0.618405 0.118348 O\n0.993526 0.446470 0.289638 O\n0.689014 0.924954 0.389745 O\n0.687833 0.464694 0.732930 O\n0.561500 0.043014 0.710608 O\n0.231526 0.904750 0.879543 O\n0.515629 0.392400 0.937861 O\n0.126624 0.096175 0.512712 O\n0.642950 0.493088 0.318265 O\n0.438500 0.956986 0.289392 O\n0.506474 0.446470 0.789638 O\n0.873376 0.903825 0.487288 O\n0.261743 0.068672 0.749468 O\n0.484371 0.607600 0.062139 O\n0.626624 0.903825 0.987288 O\n0.373376 0.096175 0.012712 O\n",
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"density_atomic": 0.06619050959990506,
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"formula_full": "K4 Cu12 Ag4 Mo16 O64",
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{
"id": "mp-1198841",
"created_at": "2022-09-04T14:44:41.183072Z",
"structure_string": "Nb4 Bi16 Br4 O32\n1.0\n5.580904 0.000000 0.000000\n0.000000 5.653938 0.000000\n0.000000 0.000000 29.812772\nNb Bi Br O\n4 16 4 32\ndirect\n0.998317 0.257235 0.249695 Nb\n0.498317 0.742765 0.750305 Nb\n0.498317 0.757235 0.250305 Nb\n0.998317 0.242765 0.749695 Nb\n0.985523 0.693955 0.340122 Bi\n0.485523 0.306045 0.659878 Bi\n0.485523 0.193955 0.159878 Bi\n0.985523 0.806045 0.840122 Bi\n0.997788 0.241565 0.072558 Bi\n0.497788 0.758435 0.927442 Bi\n0.497788 0.741565 0.427442 Bi\n0.997788 0.258435 0.572558 Bi\n0.027436 0.697193 0.158422 Bi\n0.527436 0.302807 0.841578 Bi\n0.527436 0.197193 0.341578 Bi\n0.027436 0.802807 0.658422 Bi\n0.016275 0.242482 0.427436 Bi\n0.516275 0.757518 0.572564 Bi\n0.516275 0.742482 0.072564 Bi\n0.016275 0.257518 0.927436 Bi\n0.505268 0.249950 0.501532 Br\n0.005268 0.750050 0.498468 Br\n0.005268 0.749950 0.998468 Br\n0.505268 0.250050 0.001532 Br\n0.751821 0.994607 0.110167 O\n0.251821 0.005393 0.889833 O\n0.251821 0.494607 0.389833 O\n0.751821 0.505393 0.610167 O\n0.254617 0.002353 0.108389 O\n0.754617 0.997647 0.891611 O\n0.754617 0.502353 0.391611 O\n0.254617 0.497647 0.608389 O\n0.762056 0.495370 0.109294 O\n0.262056 0.504630 0.890706 O\n0.262056 0.995370 0.390706 O\n0.762056 0.004630 0.609294 O\n0.255593 0.504967 0.107905 O\n0.755593 0.495033 0.892095 O\n0.755593 0.004967 0.392095 O\n0.255593 0.995033 0.607905 O\n0.393886 0.831966 0.187359 O\n0.893886 0.168034 0.812641 O\n0.893886 0.331966 0.312641 O\n0.393886 0.668034 0.687359 O\n0.613389 0.831391 0.312106 O\n0.113389 0.168609 0.687894 O\n0.113389 0.331391 0.187894 O\n0.613389 0.668609 0.812106 O\n0.245349 0.553141 0.267799 O\n0.745349 0.446859 0.732201 O\n0.745349 0.053141 0.232201 O\n0.245349 0.946859 0.767799 O\n0.741682 0.546310 0.232880 O\n0.241682 0.453690 0.767120 O\n0.241682 0.046310 0.267120 O\n0.741682 0.953690 0.732880 O\n",
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{
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{
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"structure_string": "Li8 Ir1 O6\n1.0\n5.285599 -2.735580 0.000000\n5.285599 2.735580 0.000000\n3.869790 0.000000 4.521690\nLi Ir O\n8 1 6\ndirect\n0.658773 0.658773 0.658773 Li\n0.765686 0.484713 0.100747 Li\n0.100747 0.765686 0.484713 Li\n0.484713 0.100747 0.765686 Li\n0.234314 0.515287 0.899253 Li\n0.899253 0.234314 0.515287 Li\n0.341227 0.341227 0.341227 Li\n0.515287 0.899253 0.234314 Li\n0.000000 0.000000 0.000000 Ir\n0.384492 0.763982 0.090402 O\n0.236018 0.909598 0.615508 O\n0.615508 0.236018 0.909598 O\n0.090402 0.384492 0.763982 O\n0.763982 0.090402 0.384492 O\n0.909598 0.615508 0.236018 O\n",
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{
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"structure_string": "Mn2 Hg1 C10 O10\n1.0\n-6.381537 0.000000 0.000000\n0.933921 6.313891 0.000000\n-0.116254 -1.205978 -9.511417\nMn Hg C O\n2 1 10 10\ndirect\n0.866714 0.184863 0.241767 Mn\n0.133286 0.815137 0.758233 Mn\n0.000000 0.000000 0.000000 Hg\n0.026668 0.428838 0.188502 C\n0.641673 0.232326 0.134351 C\n0.225625 0.685790 0.593366 C\n0.973332 0.571162 0.811498 C\n0.358327 0.767674 0.865649 C\n0.727480 0.911596 0.258527 C\n0.108976 0.112083 0.318141 C\n0.774375 0.314210 0.406634 C\n0.272520 0.088404 0.741473 C\n0.891024 0.887917 0.681859 C\n0.498847 0.262362 0.069987 O\n0.123227 0.584665 0.157350 O\n0.359112 0.257886 0.728598 O\n0.876773 0.415335 0.842650 O\n0.258551 0.068807 0.368588 O\n0.741449 0.931193 0.631412 O\n0.501153 0.737638 0.930013 O\n0.719149 0.399393 0.512382 O\n0.280851 0.600607 0.487618 O\n0.640888 0.742114 0.271402 O\n",
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{
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"structure_string": "Zr4 Mn4 P4\n1.0\n3.640486 0.000000 0.000000\n0.000000 6.453392 0.000000\n0.000000 0.000000 7.534430\nZr Mn P\n4 4 4\ndirect\n0.250000 0.530758 0.675564 Zr\n0.250000 0.030758 0.824436 Zr\n0.750000 0.969242 0.175564 Zr\n0.750000 0.469242 0.324436 Zr\n0.750000 0.364854 0.940492 Mn\n0.250000 0.135146 0.440492 Mn\n0.750000 0.864854 0.559508 Mn\n0.250000 0.635146 0.059508 Mn\n0.250000 0.268412 0.126833 P\n0.250000 0.768412 0.373167 P\n0.750000 0.731588 0.873167 P\n0.750000 0.231588 0.626833 P\n",
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{
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},
{
"id": "mp-1104317",
"created_at": "2022-09-04T14:44:31.436802Z",
"structure_string": "Lu1 Ga6 Fe6\n1.0\n-5.035074 0.000000 0.000000\n-2.517537 -4.248296 4.327386\n-2.517537 4.248296 4.327386\nLu Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.667396 0.332604 Ga\n0.000000 0.332604 0.667396 Ga\n0.342567 0.657433 0.657433 Ga\n0.657433 0.342567 0.342567 Ga\n0.322111 0.177889 0.177889 Ga\n0.677889 0.822111 0.822111 Ga\n0.500000 0.243213 0.756787 Fe\n0.500000 0.756787 0.243213 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
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"density": 8.327147869119145,
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"formula_full": "Lu1 Ga6 Fe6",
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{
"id": "mp-1211539",
"created_at": "2022-09-04T14:44:31.447466Z",
"structure_string": "K4 Ru4 O8\n1.0\n-3.181639 3.181639 6.314806\n3.181639 -3.181639 6.314806\n3.181639 3.181639 -6.314806\nK Ru O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 K\n0.375000 0.625000 0.750000 K\n0.375000 0.625000 0.250000 K\n0.375000 0.125000 0.750000 K\n0.375000 0.125000 0.250000 Ru\n0.875000 0.125000 0.750000 Ru\n0.875000 0.125000 0.250000 Ru\n0.875000 0.625000 0.750000 Ru\n0.151097 0.336853 0.185755 O\n0.151097 0.965342 0.814245 O\n0.086853 0.401097 0.685755 O\n0.598903 0.913147 0.314245 O\n0.715342 0.401097 0.314245 O\n0.598903 0.284658 0.685755 O\n0.663147 0.848903 0.814245 O\n0.034658 0.848903 0.185755 O\n",
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"density": 4.472367117439675,
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"volume": 255.69474779332887,
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"formula_full": "K4 Ru4 O8",
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{
"id": "mp-831073",
"created_at": "2022-09-04T14:44:26.730229Z",
"structure_string": "Li4 Fe4 P4 H8 O20\n1.0\n5.086117 0.000000 0.000000\n0.000000 8.215057 0.000000\n0.000000 0.000000 11.021358\nLi Fe P H O\n4 4 4 8 20\ndirect\n0.260032 0.677291 0.184758 Li\n0.760032 0.177291 0.315242 Li\n0.260032 0.822709 0.684758 Li\n0.760032 0.322709 0.815242 Li\n0.754321 0.868867 0.120146 Fe\n0.254321 0.368867 0.379854 Fe\n0.754321 0.631133 0.620146 Fe\n0.254321 0.131133 0.879854 Fe\n0.257087 0.079109 0.173181 P\n0.757087 0.579109 0.326819 P\n0.257087 0.420891 0.673181 P\n0.757087 0.920891 0.826819 P\n0.590773 0.454062 0.016678 H\n0.823611 0.329690 0.043454 H\n0.323611 0.829690 0.456546 H\n0.090773 0.954062 0.483322 H\n0.590773 0.045938 0.516678 H\n0.823611 0.170310 0.543454 H\n0.323611 0.670310 0.956546 H\n0.090773 0.545938 0.983322 H\n0.257891 0.589473 0.014605 O\n0.189523 0.172555 0.055099 O\n0.140631 0.903531 0.167455 O\n0.559855 0.064115 0.191795 O\n0.636709 0.672695 0.217575 O\n0.136709 0.172695 0.282425 O\n0.059855 0.564115 0.308205 O\n0.640631 0.403531 0.332545 O\n0.689523 0.672555 0.444901 O\n0.757891 0.089473 0.485395 O\n0.257891 0.910527 0.514605 O\n0.189523 0.327445 0.555099 O\n0.140631 0.596469 0.667455 O\n0.559855 0.435885 0.691795 O\n0.636709 0.827305 0.717575 O\n0.136709 0.327305 0.782425 O\n0.059855 0.935885 0.808205 O\n0.640631 0.096469 0.832545 O\n0.689523 0.827445 0.944901 O\n0.757891 0.410527 0.985395 O\n",
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}
]
}