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{
"id": "mp-1192210",
"created_at": "2022-09-04T14:48:11.641033Z",
"structure_string": "Li8 Dy8 Sn8\n1.0\n4.684787 -8.114289 0.000000\n4.684787 8.114289 0.000000\n0.000000 0.000000 7.333313\nLi Dy Sn\n8 8 8\ndirect\n0.166104 0.332208 0.288810 Li\n0.166104 0.833896 0.288810 Li\n0.667792 0.833896 0.288810 Li\n0.833896 0.667792 0.788810 Li\n0.833896 0.166104 0.788810 Li\n0.332208 0.166104 0.788810 Li\n0.333333 0.666667 0.661317 Li\n0.666667 0.333333 0.161317 Li\n0.513443 0.026885 0.495054 Dy\n0.513443 0.486557 0.495054 Dy\n0.973115 0.486557 0.495054 Dy\n0.486557 0.973115 0.995054 Dy\n0.486557 0.513443 0.995054 Dy\n0.026885 0.513443 0.995054 Dy\n0.000000 0.000000 0.502801 Dy\n0.000000 0.000000 0.002801 Dy\n0.167337 0.334674 0.730129 Sn\n0.167337 0.832663 0.730129 Sn\n0.665326 0.832663 0.730129 Sn\n0.832663 0.665326 0.230129 Sn\n0.832663 0.167337 0.230129 Sn\n0.334674 0.167337 0.230129 Sn\n0.333333 0.666667 0.264901 Sn\n0.666667 0.333333 0.764901 Sn\n",
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{
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"structure_string": "Na2 Ag2 N4 O8\n1.0\n0.000000 5.368114 5.597524\n4.119804 0.000000 5.597524\n4.119804 5.368114 0.000000\nNa Ag N O\n2 2 4 8\ndirect\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Ag\n0.000000 0.000000 0.000000 Ag\n0.480471 0.019529 0.480471 N\n0.019530 0.480471 0.019529 N\n0.201973 0.798027 0.201973 N\n0.798027 0.201973 0.798027 N\n0.223190 0.598816 0.303366 O\n0.489733 0.827417 0.598806 O\n0.874628 0.303366 0.598816 O\n0.827417 0.489733 0.084044 O\n0.084044 0.598806 0.827417 O\n0.303366 0.874628 0.223190 O\n0.598816 0.223190 0.874628 O\n0.598806 0.084044 0.489733 O\n",
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"updated_at": "2021-11-28T01:38:36.496000Z",
"spacegroup": 22
},
{
"id": "mp-1177597",
"created_at": "2022-09-04T14:48:11.535784Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n6.089597 0.000000 0.000000\n0.000000 10.459856 0.000000\n0.000000 0.005686 14.300350\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.749481 0.998898 0.666994 Li\n0.250907 0.999594 0.999477 Li\n0.749093 0.999594 0.999477 Li\n0.249913 0.998736 0.333550 Li\n0.750087 0.998736 0.333550 Li\n0.250519 0.998898 0.666994 Li\n0.249794 0.501204 0.500429 Li\n0.750206 0.501204 0.500429 Li\n0.250259 0.501118 0.167024 Li\n0.749741 0.501118 0.167024 Li\n0.250617 0.500856 0.832975 Li\n0.749383 0.500856 0.832975 Li\n0.000000 0.218665 0.159891 Mn\n0.000000 0.218760 0.825569 Mn\n0.500000 0.280780 0.326764 Mn\n0.000000 0.719950 0.007130 Mn\n0.000000 0.218301 0.492667 Fe\n0.500000 0.281434 0.658973 Fe\n0.500000 0.280438 0.992002 Fe\n0.000000 0.719938 0.341794 Fe\n0.000000 0.722827 0.673823 Co\n0.500000 0.778213 0.839603 Co\n0.500000 0.780962 0.506443 Co\n0.500000 0.781082 0.172637 Co\n0.500000 0.092450 0.805136 P\n0.500000 0.091898 0.137957 P\n0.500000 0.092023 0.473767 P\n0.000000 0.408063 0.305995 P\n0.000000 0.407678 0.638875 P\n0.000000 0.406825 0.972783 P\n0.500000 0.596488 0.361018 P\n0.500000 0.594429 0.028507 P\n0.500000 0.596092 0.693808 P\n0.000000 0.905126 0.859694 P\n0.000000 0.904195 0.194955 P\n0.000000 0.903934 0.527883 P\n0.000000 0.040972 0.237675 O\n0.000000 0.041645 0.569431 O\n0.000000 0.041583 0.902480 O\n0.500000 0.095118 0.581143 O\n0.500000 0.096793 0.912475 O\n0.500000 0.095123 0.245421 O\n0.298541 0.162520 0.092989 O\n0.701459 0.162520 0.092989 O\n0.297071 0.162722 0.429557 O\n0.702929 0.162722 0.429557 O\n0.298678 0.163120 0.759534 O\n0.701322 0.163120 0.759534 O\n0.797440 0.335795 0.594785 O\n0.202560 0.335795 0.594785 O\n0.797945 0.337747 0.261159 O\n0.202055 0.337747 0.261159 O\n0.796659 0.335627 0.929430 O\n0.203341 0.335627 0.929430 O\n0.000000 0.403876 0.413609 O\n0.000000 0.406211 0.079929 O\n0.000000 0.404897 0.746368 O\n0.500000 0.459409 0.403227 O\n0.500000 0.456459 0.068500 O\n0.500000 0.458353 0.735092 O\n0.000000 0.545382 0.265063 O\n0.000000 0.543065 0.929495 O\n0.000000 0.545209 0.598092 O\n0.500000 0.598261 0.253587 O\n0.500000 0.598923 0.920610 O\n0.500000 0.598992 0.586232 O\n0.299275 0.664986 0.074107 O\n0.297991 0.667530 0.405741 O\n0.296571 0.666837 0.738299 O\n0.703429 0.666837 0.738299 O\n0.700725 0.664986 0.074107 O\n0.702009 0.667530 0.405741 O\n0.795428 0.834964 0.903032 O\n0.204572 0.834964 0.903032 O\n0.795789 0.833323 0.238228 O\n0.796671 0.832571 0.572188 O\n0.204211 0.833323 0.238228 O\n0.203329 0.832571 0.572188 O\n0.000000 0.902715 0.751975 O\n0.000000 0.903047 0.420469 O\n0.000000 0.904973 0.087272 O\n0.500000 0.954162 0.765282 O\n0.500000 0.953564 0.097688 O\n0.500000 0.954423 0.432217 O\n",
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"elements": [
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"density": 3.4670176562451602,
"density_atomic": 0.09221856518490476,
"volume": 910.8794940755589,
"volume_molar": 6.5302911056197654,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
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"spacegroup": 6
},
{
"id": "mp-1214519",
"created_at": "2022-09-04T14:48:14.740700Z",
"structure_string": "Ba12 Y4 Al8 O30\n1.0\n5.970117 0.000000 0.000000\n0.000000 7.953987 0.000000\n0.000000 0.549642 18.551198\nBa Y Al O\n12 4 8 30\ndirect\n0.758221 0.501990 0.082346 Ba\n0.241779 0.498010 0.917654 Ba\n0.758221 0.498010 0.417654 Ba\n0.241779 0.501990 0.582346 Ba\n0.745359 0.969372 0.089527 Ba\n0.254641 0.030628 0.910473 Ba\n0.745359 0.030628 0.410473 Ba\n0.254641 0.969372 0.589527 Ba\n0.726048 0.000000 0.750000 Ba\n0.273952 0.000000 0.250000 Ba\n0.670584 0.500000 0.750000 Ba\n0.329416 0.500000 0.250000 Ba\n0.746881 0.751754 0.910338 Y\n0.253119 0.248246 0.089662 Y\n0.746881 0.248246 0.589662 Y\n0.253119 0.751754 0.410338 Y\n0.749373 0.752294 0.555906 Al\n0.250627 0.247706 0.444094 Al\n0.749373 0.247706 0.944094 Al\n0.250627 0.752294 0.055906 Al\n0.771176 0.779689 0.267995 Al\n0.228824 0.220311 0.732005 Al\n0.771176 0.220311 0.232005 Al\n0.228824 0.779689 0.767995 Al\n0.208852 0.000000 0.750000 O\n0.791148 0.000000 0.250000 O\n0.497588 0.763949 0.000713 O\n0.502412 0.236051 0.999287 O\n0.497588 0.236051 0.499287 O\n0.502412 0.763949 0.500713 O\n0.760162 0.942930 0.606000 O\n0.239838 0.057070 0.394000 O\n0.760162 0.057070 0.894000 O\n0.239838 0.942930 0.106000 O\n0.012442 0.762161 0.995843 O\n0.987558 0.237839 0.004157 O\n0.012442 0.237839 0.504157 O\n0.987558 0.762161 0.495843 O\n0.313909 0.692510 0.687024 O\n0.686091 0.307490 0.312976 O\n0.313909 0.307490 0.812976 O\n0.686091 0.692510 0.187024 O\n0.450484 0.753397 0.833016 O\n0.549516 0.246603 0.166984 O\n0.450484 0.246603 0.666984 O\n0.549516 0.753397 0.333016 O\n0.971219 0.729788 0.811374 O\n0.028781 0.270212 0.188626 O\n0.971219 0.270212 0.688626 O\n0.028781 0.729788 0.311374 O\n0.753717 0.540077 0.592205 O\n0.246283 0.459923 0.407795 O\n0.753717 0.459923 0.907795 O\n0.246283 0.540077 0.092205 O\n",
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{
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"structure_string": "Zn2 Co1 Cu1\n1.0\n-4.839654 5.054004 7.149338\n4.839654 -5.054004 7.149338\n4.839654 5.054004 -7.149338\nZn Co Cu\n2 1 1\ndirect\n0.000000 0.252264 0.252264 Zn\n0.000000 0.747736 0.747736 Zn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
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{
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"structure_string": "P8 Pb4 O30\n1.0\n7.734883 0.000000 0.000000\n3.537345 9.187813 0.000000\n2.932614 2.811401 9.424565\nP Pb O\n8 4 30\ndirect\n0.593538 0.841307 0.740997 P\n0.406462 0.158693 0.259003 P\n0.210635 0.821314 0.770729 P\n0.789365 0.178686 0.229271 P\n0.369072 0.507107 0.752792 P\n0.630928 0.492893 0.247208 P\n0.736578 0.523549 0.742354 P\n0.263422 0.476451 0.257646 P\n0.712986 0.142491 0.894331 Pb\n0.287014 0.857509 0.105669 Pb\n0.032518 0.740202 0.538026 Pb\n0.967482 0.259798 0.461974 Pb\n0.407728 0.859493 0.685943 O\n0.592272 0.140507 0.314057 O\n0.271147 0.637609 0.834495 O\n0.728853 0.362391 0.165505 O\n0.566211 0.546038 0.668165 O\n0.433789 0.453962 0.331835 O\n0.662408 0.659401 0.815658 O\n0.337592 0.340599 0.184342 O\n0.735891 0.880252 0.605996 O\n0.264109 0.119748 0.394004 O\n0.549145 0.920677 0.850976 O\n0.450855 0.079323 0.149024 O\n0.125718 0.890837 0.890159 O\n0.874282 0.109163 0.109841 O\n0.094577 0.866016 0.656832 O\n0.905423 0.133984 0.343168 O\n0.257020 0.538072 0.640725 O\n0.742980 0.461928 0.359275 O\n0.406641 0.353845 0.857353 O\n0.593359 0.646155 0.142647 O\n0.774305 0.378421 0.857524 O\n0.225695 0.621579 0.142476 O\n0.895938 0.553173 0.618220 O\n0.104062 0.446827 0.381780 O\n0.784510 0.792141 0.267924 O\n0.215490 0.207859 0.732076 O\n0.838549 0.801168 0.141119 O\n0.161451 0.198832 0.858881 O\n0.839541 0.191113 0.661210 O\n0.160459 0.808887 0.338790 O\n",
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{
"id": "mp-1221002",
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"structure_string": "Na7 Mn4 Fe8 P12 O48\n1.0\n6.348906 6.852912 0.000000\n-6.348906 6.852912 0.000000\n0.000000 5.907472 10.543697\nNa Mn Fe P O\n7 4 8 12 48\ndirect\n0.249299 0.001196 0.874160 Na\n0.750279 0.499413 0.376366 Na\n0.998804 0.750701 0.125840 Na\n0.500587 0.249721 0.623634 Na\n0.110262 0.889738 0.500000 Na\n0.878502 0.605424 0.758082 Na\n0.394576 0.121498 0.241918 Na\n0.888990 0.111010 0.000000 Mn\n0.393659 0.606341 0.500000 Mn\n0.603757 0.891821 0.748896 Mn\n0.108179 0.396243 0.251104 Mn\n0.224732 0.661179 0.778204 Fe\n0.725156 0.156860 0.281410 Fe\n0.338821 0.775268 0.221796 Fe\n0.843140 0.274844 0.718590 Fe\n0.283028 0.341947 0.969682 Fe\n0.772914 0.839774 0.470827 Fe\n0.160226 0.227086 0.529173 Fe\n0.658053 0.716972 0.030318 Fe\n0.079005 0.047788 0.197751 P\n0.580368 0.541261 0.701922 P\n0.952212 0.920995 0.802249 P\n0.458739 0.419632 0.298078 P\n0.421318 0.956831 0.545091 P\n0.921735 0.455556 0.052735 P\n0.544444 0.078265 0.947265 P\n0.043169 0.578682 0.454909 P\n0.340154 0.659846 0.000000 P\n0.840824 0.159176 0.500000 P\n0.159924 0.340609 0.751729 P\n0.659391 0.840076 0.248271 P\n0.989890 0.934175 0.912306 O\n0.488376 0.437585 0.410008 O\n0.065825 0.010110 0.087694 O\n0.562415 0.511624 0.589992 O\n0.509707 0.064356 0.836130 O\n0.008737 0.564780 0.343377 O\n0.435220 0.991263 0.656623 O\n0.935644 0.490293 0.163870 O\n0.054729 0.809116 0.741800 O\n0.562989 0.299321 0.251148 O\n0.190884 0.945271 0.258200 O\n0.700679 0.437011 0.748852 O\n0.437178 0.189357 0.004913 O\n0.945888 0.693408 0.511841 O\n0.306592 0.054112 0.488159 O\n0.810643 0.562822 0.995087 O\n0.861708 0.284109 0.098246 O\n0.365393 0.783443 0.590648 O\n0.715891 0.138292 0.901754 O\n0.216557 0.634607 0.409352 O\n0.635649 0.709939 0.666684 O\n0.142675 0.219201 0.151004 O\n0.780799 0.857325 0.848996 O\n0.290061 0.364351 0.333316 O\n0.916154 0.028345 0.301520 O\n0.418227 0.508581 0.811097 O\n0.971655 0.083846 0.698480 O\n0.491419 0.581773 0.188903 O\n0.584060 0.986349 0.437854 O\n0.083666 0.480047 0.945614 O\n0.519953 0.916334 0.054386 O\n0.013651 0.415940 0.562146 O\n0.272433 0.739814 0.895032 O\n0.765418 0.237034 0.398799 O\n0.260186 0.727567 0.104968 O\n0.762966 0.234582 0.601201 O\n0.227556 0.263258 0.857969 O\n0.731794 0.759844 0.348586 O\n0.240156 0.268206 0.651414 O\n0.736742 0.772444 0.142031 O\n0.193239 0.518946 0.689890 O\n0.695481 0.019061 0.187088 O\n0.980939 0.304519 0.812912 O\n0.481054 0.806761 0.310110 O\n0.301386 0.482554 0.060645 O\n0.804750 0.982409 0.564860 O\n0.517446 0.698614 0.939355 O\n0.017591 0.195250 0.435140 O\n",
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