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{
"id": "mp-25818",
"created_at": "2022-09-04T14:41:04.260956Z",
"structure_string": "Cr4 P6 O22\n1.0\n6.824313 -0.001704 -2.366074\n-1.419969 6.674949 2.366074\n-0.000125 0.000101 8.795840\nCr P O\n4 6 22\ndirect\n0.884221 0.632625 0.043034 Cr\n0.367016 0.115673 0.543057 Cr\n0.115673 0.367016 0.956943 Cr\n0.632625 0.884221 0.456966 Cr\n0.959529 0.959529 0.250000 P\n0.325536 0.544601 0.289546 P\n0.455228 0.674314 0.789491 P\n0.544601 0.325536 0.210454 P\n0.040210 0.040210 0.750000 P\n0.674314 0.455228 0.710509 P\n0.052963 0.247380 0.775507 O\n0.373218 0.282629 0.061411 O\n0.947018 0.752381 0.224563 O\n0.247938 0.620810 0.817612 O\n0.149800 0.527991 0.128902 O\n0.874953 0.015324 0.592664 O\n0.282629 0.373218 0.438589 O\n0.484318 0.484318 0.750000 O\n0.849999 0.471482 0.871256 O\n0.527991 0.149800 0.371098 O\n0.752085 0.379033 0.182643 O\n0.752381 0.947018 0.275437 O\n0.247380 0.052963 0.724493 O\n0.471482 0.849999 0.628744 O\n0.984667 0.124662 0.092635 O\n0.124662 0.984667 0.407365 O\n0.515521 0.515521 0.250000 O\n0.379033 0.752085 0.317357 O\n0.626926 0.717371 0.938305 O\n0.620810 0.247938 0.682388 O\n0.717371 0.626926 0.561695 O\n0.015324 0.874953 0.907336 O\n",
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"spacegroup": 15
},
{
"id": "mp-1222463",
"created_at": "2022-09-04T14:46:53.166854Z",
"structure_string": "Lu2 Zn8 Fe2 O14\n1.0\n1.680826 -2.911275 0.000000\n1.680826 2.911275 0.000000\n0.000000 0.000000 33.203666\nLu Zn Fe O\n2 8 2 14\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.408104 Zn\n0.666667 0.333333 0.591896 Zn\n0.666667 0.333333 0.908104 Zn\n0.333333 0.666667 0.091896 Zn\n0.000000 0.000000 0.329776 Zn\n0.000000 0.000000 0.670224 Zn\n0.000000 0.000000 0.829776 Zn\n0.000000 0.000000 0.170224 Zn\n0.333333 0.666667 0.250000 Fe\n0.666667 0.333333 0.750000 Fe\n0.000000 0.000000 0.390079 O\n0.000000 0.000000 0.609921 O\n0.000000 0.000000 0.890079 O\n0.000000 0.000000 0.109921 O\n0.333333 0.666667 0.311368 O\n0.666667 0.333333 0.688632 O\n0.666667 0.333333 0.811368 O\n0.333333 0.666667 0.188632 O\n0.333333 0.666667 0.467646 O\n0.666667 0.333333 0.532354 O\n0.666667 0.333333 0.967646 O\n0.333333 0.666667 0.032354 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 26,
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"elements": [
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"volume": 324.95409977126076,
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"formula_full": "Lu2 Zn8 Fe2 O14",
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"updated_at": "2021-11-28T01:37:39.244000Z",
"spacegroup": 194
},
{
"id": "mp-1210367",
"created_at": "2022-09-04T14:48:16.275066Z",
"structure_string": "Na6 P6 N6 O14\n1.0\n6.101758 5.081280 0.000000\n-6.101758 5.081280 0.000000\n0.000000 2.343627 7.379170\nNa P N O\n6 6 6 14\ndirect\n0.724049 0.006682 0.377186 Na\n0.993318 0.275951 0.622814 Na\n0.357798 0.071016 0.578076 Na\n0.928984 0.642202 0.421924 Na\n0.017151 0.982849 0.000000 Na\n0.684033 0.315967 0.000000 Na\n0.615125 0.669275 0.174695 P\n0.330725 0.384875 0.825305 P\n0.367482 0.902688 0.193895 P\n0.097312 0.632518 0.806105 P\n0.071144 0.383942 0.151394 P\n0.616058 0.928856 0.848606 P\n0.023890 0.558789 0.029675 N\n0.441211 0.976110 0.970325 N\n0.431317 0.720409 0.272161 N\n0.279591 0.568683 0.727840 N\n0.254317 0.334936 0.050498 N\n0.665064 0.745683 0.949502 N\n0.677204 0.322796 0.500000 O\n0.923494 0.226941 0.156857 O\n0.773059 0.076506 0.843143 O\n0.575246 0.912669 0.668853 O\n0.087331 0.424754 0.331147 O\n0.466362 0.041124 0.273410 O\n0.958876 0.533638 0.726590 O\n0.004810 0.995190 0.500000 O\n0.167151 0.869762 0.236692 O\n0.130238 0.832849 0.763308 O\n0.762718 0.777607 0.236908 O\n0.222393 0.237282 0.763092 O\n0.528549 0.405200 0.783602 O\n0.594800 0.471451 0.216398 O\n",
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"elements": [
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],
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"density": 2.292830915879447,
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"formula_full": "Na6 P6 N6 O14",
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{
"id": "mp-555534",
"created_at": "2022-09-04T14:39:59.651280Z",
"structure_string": "K8 Mn2 Mo8 O30\n1.0\n5.284295 -9.152668 0.000000\n5.284295 9.152668 0.000000\n0.000000 0.000000 8.356870\nK Mn Mo O\n8 2 8 30\ndirect\n0.911735 0.606907 0.140310 K\n0.393093 0.304828 0.140310 K\n0.088265 0.393093 0.859690 K\n0.606907 0.695172 0.859690 K\n0.000000 0.000000 0.000000 K\n0.304828 0.911735 0.859690 K\n0.695172 0.088265 0.140310 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.466585 Mn\n0.333333 0.666667 0.533415 Mn\n0.017118 0.342016 0.360216 Mo\n0.675102 0.017118 0.639784 Mo\n0.333333 0.666667 0.142209 Mo\n0.657984 0.675102 0.360216 Mo\n0.666667 0.333333 0.857791 Mo\n0.342016 0.324898 0.639784 Mo\n0.324898 0.982882 0.360216 Mo\n0.982882 0.657984 0.639784 Mo\n0.479864 0.822497 0.049631 O\n0.218359 0.211107 0.791271 O\n0.520136 0.177503 0.950369 O\n0.665709 0.186500 0.662268 O\n0.186500 0.520791 0.337732 O\n0.275219 0.258445 0.446378 O\n0.494070 0.857345 0.660430 O\n0.781641 0.788893 0.208729 O\n0.505930 0.142655 0.339570 O\n0.813500 0.479209 0.662268 O\n0.983226 0.724781 0.446378 O\n0.479209 0.665709 0.337732 O\n0.857345 0.363275 0.339570 O\n0.657367 0.479864 0.950369 O\n0.342633 0.520136 0.049631 O\n0.177503 0.657367 0.049631 O\n0.363275 0.505930 0.660430 O\n0.636725 0.494070 0.339570 O\n0.016774 0.275219 0.553622 O\n0.211107 0.992748 0.208729 O\n0.142655 0.636725 0.660430 O\n0.258445 0.983226 0.553622 O\n0.007252 0.218359 0.208729 O\n0.788893 0.007252 0.791271 O\n0.822497 0.342633 0.950369 O\n0.520791 0.334291 0.662268 O\n0.741555 0.016774 0.446378 O\n0.724781 0.741555 0.553622 O\n0.334291 0.813500 0.337732 O\n0.992748 0.781641 0.791271 O\n",
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"elements": [
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],
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"formula_full": "K8 Mn2 Mo8 O30",
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"spacegroup": 147
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{
"id": "mp-722346",
"created_at": "2022-09-04T14:39:49.547208Z",
"structure_string": "K2 Yb2 P8 H16 O36\n1.0\n6.029863 4.303857 0.000000\n-6.029863 4.303857 0.000000\n0.000000 0.055815 15.133569\nK Yb P H O\n2 2 8 16 36\ndirect\n0.446639 0.553361 0.750000 K\n0.553361 0.446639 0.250000 K\n0.110414 0.889586 0.750000 Yb\n0.889586 0.110414 0.250000 Yb\n0.021598 0.209936 0.584030 P\n0.790064 0.978402 0.915970 P\n0.978402 0.790063 0.415970 P\n0.209936 0.021598 0.084030 P\n0.183764 0.245726 0.925064 P\n0.754274 0.816236 0.574936 P\n0.816236 0.754274 0.074936 P\n0.245726 0.183764 0.425064 P\n0.244127 0.670709 0.898467 H\n0.329291 0.755873 0.601533 H\n0.755873 0.329291 0.101533 H\n0.670709 0.244127 0.398467 H\n0.121727 0.601069 0.613493 H\n0.398931 0.878273 0.886507 H\n0.878273 0.398931 0.386507 H\n0.601069 0.121727 0.113493 H\n0.885883 0.488054 0.828568 H\n0.511946 0.114117 0.671432 H\n0.114117 0.511946 0.171432 H\n0.488054 0.885883 0.328568 H\n0.938877 0.458133 0.727026 H\n0.541867 0.061123 0.772974 H\n0.061123 0.541867 0.272974 H\n0.458133 0.938877 0.227026 H\n0.960166 0.160922 0.952241 O\n0.839078 0.039834 0.547759 O\n0.039834 0.839078 0.047759 O\n0.160922 0.960166 0.452241 O\n0.140180 0.283264 0.494071 O\n0.716737 0.859820 0.005929 O\n0.859820 0.716737 0.505929 O\n0.283263 0.140180 0.994071 O\n0.862582 0.861390 0.853331 O\n0.138610 0.137418 0.646669 O\n0.137418 0.138610 0.146669 O\n0.861390 0.862582 0.353331 O\n0.950658 0.368805 0.614403 O\n0.631195 0.049342 0.885597 O\n0.049342 0.631195 0.385597 O\n0.368805 0.950658 0.114403 O\n0.811811 0.783530 0.666530 O\n0.216470 0.188189 0.833470 O\n0.188189 0.216470 0.333470 O\n0.783530 0.811811 0.166530 O\n0.248418 0.456834 0.945635 O\n0.543166 0.751582 0.554365 O\n0.751582 0.543166 0.054365 O\n0.456834 0.248418 0.445635 O\n0.211717 0.719759 0.637946 O\n0.280241 0.788283 0.862054 O\n0.788283 0.280241 0.362054 O\n0.719759 0.211717 0.137946 O\n0.680332 0.420844 0.895095 O\n0.579156 0.319668 0.604905 O\n0.319668 0.579156 0.104905 O\n0.420844 0.680332 0.395095 O\n0.970673 0.544754 0.778179 O\n0.455246 0.029327 0.721821 O\n0.029327 0.455246 0.221821 O\n0.544754 0.970673 0.278179 O\n",
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{
"id": "mp-1044753",
"created_at": "2022-09-04T14:44:50.142335Z",
"structure_string": "Pr2 Zn2 Cr4 O12\n1.0\n5.306764 0.000000 0.000000\n0.000000 5.404597 0.000000\n0.000000 0.000000 7.755670\nPr Zn Cr O\n2 2 4 12\ndirect\n0.008124 0.701115 0.000000 Pr\n0.508124 0.298885 0.500000 Pr\n0.491307 0.220463 0.000000 Zn\n0.991307 0.779537 0.500000 Zn\n0.996308 0.242711 0.748586 Cr\n0.996308 0.242711 0.251414 Cr\n0.496308 0.757289 0.248586 Cr\n0.496308 0.757289 0.751414 Cr\n0.082115 0.192750 0.500000 O\n0.218860 0.961680 0.802496 O\n0.218860 0.961680 0.197504 O\n0.307065 0.441436 0.192122 O\n0.307065 0.441436 0.807878 O\n0.374966 0.728428 0.500000 O\n0.582115 0.807250 0.000000 O\n0.718860 0.038320 0.697504 O\n0.718860 0.038320 0.302496 O\n0.807065 0.558564 0.692122 O\n0.807065 0.558564 0.307878 O\n0.874966 0.271572 0.000000 O\n",
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{
"id": "mp-758136",
"created_at": "2022-09-04T14:41:35.748647Z",
"structure_string": "Li2 Fe2 P8 O24\n1.0\n9.511620 0.000000 0.000000\n0.000000 7.221585 0.000000\n0.000000 0.700355 7.188972\nLi Fe P O\n2 2 8 24\ndirect\n0.017027 0.273956 0.747723 Li\n0.517027 0.726044 0.252277 Li\n0.760323 0.712054 0.786284 Fe\n0.260323 0.287946 0.213716 Fe\n0.383663 0.386228 0.896461 P\n0.417268 0.789872 0.846287 P\n0.597577 0.390022 0.590724 P\n0.720469 0.015467 0.457681 P\n0.220469 0.984533 0.542319 P\n0.097577 0.609978 0.409276 P\n0.917268 0.210128 0.153713 P\n0.883663 0.613772 0.103539 P\n0.896922 0.164011 0.959794 O\n0.948327 0.613150 0.910002 O\n0.245712 0.279255 0.922108 O\n0.346208 0.591132 0.807853 O\n0.485955 0.302023 0.751761 O\n0.107469 0.093526 0.619083 O\n0.333292 0.921540 0.698664 O\n0.810577 0.922350 0.617076 O\n0.718504 0.474885 0.693897 O\n0.566343 0.784565 0.774607 O\n0.021075 0.495385 0.556157 O\n0.660560 0.206117 0.521202 O\n0.160560 0.793883 0.478798 O\n0.521075 0.504615 0.443843 O\n0.066343 0.215435 0.225393 O\n0.218504 0.525115 0.306103 O\n0.310577 0.077650 0.382924 O\n0.833292 0.078460 0.301336 O\n0.607469 0.906474 0.380917 O\n0.985955 0.697977 0.248239 O\n0.846208 0.408868 0.192147 O\n0.745712 0.720745 0.077892 O\n0.448327 0.386850 0.089998 O\n0.396922 0.835989 0.040206 O\n",
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{
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"structure_string": "Nb2 Fe2 O8\n1.0\n0.000000 -3.898186 0.000000\n-6.350425 1.949093 0.000000\n2.057429 0.000000 -6.446320\nNb Fe O\n2 2 8\ndirect\n0.100546 0.207848 0.229722 Nb\n0.892698 0.792152 0.770278 Nb\n0.197631 0.397613 0.813620 Fe\n0.800019 0.602387 0.186380 Fe\n0.254469 0.511874 0.144916 O\n0.742595 0.488126 0.855084 O\n0.361267 0.727257 0.797101 O\n0.634009 0.272743 0.202899 O\n0.047932 0.107048 0.864465 O\n0.940884 0.892952 0.135535 O\n0.140104 0.275218 0.511960 O\n0.864886 0.724782 0.488040 O\n",
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{
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{
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{
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"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n5.463001 0.000175 -0.000121\n0.000170 5.315619 0.014047\n-0.000171 0.021713 7.604697\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.034928 0.992544 0.249150 La\n0.465101 0.492640 0.749144 La\n0.558252 0.528482 0.247873 Mg\n0.941703 0.028550 0.747841 Mg\n0.502570 0.000402 0.001945 Fe\n0.997442 0.500341 0.501953 Fe\n0.497027 0.001343 0.497575 Ni\n0.002975 0.501375 0.997576 Ni\n0.020863 0.630711 0.742286 O\n0.206642 0.184037 0.941162 O\n0.193245 0.200551 0.556955 O\n0.306716 0.700475 0.056940 O\n0.293337 0.683953 0.441162 O\n0.479142 0.130668 0.242319 O\n0.549101 0.926570 0.755896 O\n0.739243 0.272715 0.558231 O\n0.732469 0.262802 0.948885 O\n0.767654 0.762772 0.448915 O\n0.760721 0.772621 0.058257 O\n0.950870 0.426450 0.255931 O\n",
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"structure_string": "Ba4 Sm2 Nb8 Fe2 O30\n1.0\n12.609426 0.000000 0.000000\n0.000000 4.077017 0.000000\n0.000000 0.047531 12.713294\nBa Sm Nb Fe O\n4 2 8 2 30\ndirect\n0.091117 0.355741 0.321201 Ba\n0.426847 0.355647 0.672164 Ba\n0.573153 0.355647 0.172164 Ba\n0.908883 0.355741 0.821201 Ba\n0.738134 0.373508 0.522386 Sm\n0.261866 0.373508 0.022386 Sm\n0.249750 0.871490 0.496214 Nb\n0.750250 0.871490 0.996214 Nb\n0.463936 0.869727 0.921884 Nb\n0.040570 0.867182 0.076750 Nb\n0.959430 0.867182 0.576750 Nb\n0.536064 0.869727 0.421884 Nb\n0.178331 0.863526 0.789226 Nb\n0.821669 0.863526 0.289226 Nb\n0.326647 0.842563 0.213298 Fe\n0.673353 0.842563 0.713298 Fe\n0.588821 0.821787 0.011089 O\n0.908228 0.817862 0.991281 O\n0.091772 0.817862 0.491281 O\n0.411179 0.821787 0.511089 O\n0.178563 0.815578 0.141950 O\n0.319782 0.804488 0.853467 O\n0.680218 0.804488 0.353467 O\n0.821437 0.815578 0.641950 O\n0.245617 0.828097 0.345380 O\n0.254581 0.816916 0.656038 O\n0.745419 0.816916 0.156038 O\n0.754383 0.828097 0.845380 O\n0.968226 0.829562 0.219237 O\n0.527546 0.843089 0.781544 O\n0.472454 0.843089 0.281544 O\n0.031774 0.829562 0.719237 O\n0.826123 0.321503 0.300373 O\n0.675105 0.334390 0.689115 O\n0.324895 0.334390 0.189115 O\n0.173877 0.321503 0.800373 O\n0.252022 0.327872 0.500536 O\n0.747978 0.327872 0.000536 O\n0.368482 0.836618 0.053558 O\n0.122591 0.809397 0.939390 O\n0.877409 0.809397 0.439390 O\n0.631518 0.836618 0.553558 O\n0.554142 0.334582 0.428952 O\n0.948707 0.329177 0.574966 O\n0.051293 0.329177 0.074966 O\n0.445858 0.334582 0.928952 O\n",
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}