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{
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"volume": 1085.3389741184737,
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"formula_full": "K4 Nb20 O52",
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{
"id": "mp-1040406",
"created_at": "2022-09-04T14:40:26.099358Z",
"structure_string": "Cs1 K1 Mg30 O31\n1.0\n8.849522 0.000000 0.000000\n0.000000 8.650717 0.000000\n0.000000 0.000000 8.786445\nCs K Mg O\n1 1 30 31\ndirect\n0.972718 0.500000 0.500000 Cs\n0.997535 -0.000000 0.000000 K\n0.979226 -0.000000 0.500000 Mg\n0.998890 0.500000 0.000000 Mg\n0.501824 -0.000000 0.000000 Mg\n0.517969 -0.000000 0.500000 Mg\n0.500211 0.500000 0.000000 Mg\n0.487575 0.500000 0.500000 Mg\n0.007956 0.248183 0.247408 Mg\n0.007956 0.248183 0.752592 Mg\n0.007956 0.751817 0.247408 Mg\n0.007956 0.751817 0.752592 Mg\n0.496107 0.248258 0.245160 Mg\n0.496107 0.248258 0.754840 Mg\n0.496107 0.751742 0.245160 Mg\n0.496107 0.751742 0.754840 Mg\n0.248053 -0.000000 0.227362 Mg\n0.248053 -0.000000 0.772638 Mg\n0.252221 0.500000 0.238668 Mg\n0.252221 0.500000 0.761332 Mg\n0.752320 -0.000000 0.248742 Mg\n0.752320 -0.000000 0.751258 Mg\n0.736946 0.500000 0.243501 Mg\n0.736946 0.500000 0.756499 Mg\n0.251822 0.256451 0.000000 Mg\n0.256163 0.270289 0.500000 Mg\n0.251822 0.743549 0.000000 Mg\n0.256163 0.729711 0.500000 Mg\n0.751360 0.252160 0.000000 Mg\n0.726043 0.253093 0.500000 Mg\n0.751360 0.747840 0.000000 Mg\n0.726043 0.746907 0.500000 Mg\n0.275111 -0.000000 0.000000 O\n0.266297 0.500000 0.000000 O\n0.273237 0.500000 0.500000 O\n0.725220 -0.000000 0.000000 O\n0.744685 -0.000000 0.500000 O\n0.739440 0.500000 0.000000 O\n0.696723 0.500000 0.500000 O\n0.255442 0.244556 0.247228 O\n0.255442 0.244556 0.752772 O\n0.255442 0.755444 0.247228 O\n0.255442 0.755444 0.752772 O\n0.749911 0.251606 0.257368 O\n0.749911 0.251606 0.742632 O\n0.749911 0.748394 0.257368 O\n0.749911 0.748394 0.742632 O\n0.002603 -0.000000 0.269768 O\n0.002603 -0.000000 0.730232 O\n0.017295 0.500000 0.219458 O\n0.017295 0.500000 0.780542 O\n0.494584 -0.000000 0.259493 O\n0.494584 -0.000000 0.740507 O\n0.495646 0.500000 0.245154 O\n0.495646 0.500000 0.754846 O\n-0.000669 0.269546 0.000000 O\n0.042191 0.213126 0.500000 O\n-0.000669 0.730454 0.000000 O\n0.042191 0.786874 0.500000 O\n0.503375 0.250340 0.000000 O\n0.487883 0.236620 0.500000 O\n0.503375 0.749660 0.000000 O\n0.487883 0.763380 0.500000 O\n",
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"formula_full": "Cs1 K1 Mg30 O31",
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"spacegroup": 25
},
{
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"created_at": "2022-09-04T14:40:26.098161Z",
"structure_string": "La2 O6\n1.0\n4.661293 0.000000 0.000000\n-2.192199 4.359929 0.000000\n-0.199795 -2.693685 7.100771\nLa O\n2 6\ndirect\n0.380421 0.018183 0.262929 La\n0.619579 0.981817 0.737071 La\n0.349726 0.724803 0.041752 O\n0.291063 0.191932 0.608199 O\n0.904144 0.152556 0.344898 O\n0.708937 0.808068 0.391801 O\n0.650274 0.275197 0.958248 O\n0.095856 0.847444 0.655102 O\n",
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{
"id": "mp-1223733",
"created_at": "2022-09-04T14:40:26.096380Z",
"structure_string": "K3 Sn1 Sb3\n1.0\n2.208604 8.937275 0.000000\n-2.208604 8.937275 0.000000\n0.000000 0.704791 7.007697\nK Sn Sb\n3 1 3\ndirect\n0.002543 0.002543 0.999046 K\n0.705912 0.705912 0.749496 K\n0.289904 0.289904 0.252087 K\n0.084335 0.084335 0.507944 Sn\n0.372426 0.372426 0.747078 Sb\n0.625553 0.625553 0.248196 Sb\n0.919326 0.919326 0.496153 Sb\n",
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{
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"structure_string": "Zn4 Co4 Bi4 O20\n1.0\n10.595005 0.000000 0.000000\n0.000000 5.330710 0.000000\n0.000000 2.880256 7.863108\nZn Co Bi O\n4 4 4 20\ndirect\n0.091258 0.539162 0.825492 Zn\n0.908742 0.460838 0.174508 Zn\n0.591258 0.460838 0.674508 Zn\n0.408742 0.539162 0.325492 Zn\n0.379602 0.151764 0.046442 Co\n0.620398 0.848236 0.953558 Co\n0.879602 0.848236 0.453558 Co\n0.120398 0.151764 0.546442 Co\n0.894724 0.028152 0.843055 Bi\n0.105276 0.971848 0.156945 Bi\n0.605276 0.028152 0.343055 Bi\n0.394724 0.971848 0.656945 Bi\n0.942861 0.832736 0.663087 O\n0.035486 0.305271 0.684226 O\n0.795999 0.171293 0.321523 O\n0.456918 0.755446 0.490624 O\n0.718168 0.696138 0.504662 O\n0.781832 0.696138 0.004662 O\n0.464514 0.305271 0.184226 O\n0.535486 0.694729 0.815774 O\n0.543082 0.244554 0.509376 O\n0.442861 0.167264 0.836913 O\n0.281832 0.303862 0.495338 O\n0.057139 0.167264 0.336913 O\n0.557139 0.832736 0.163087 O\n0.218168 0.303862 0.995338 O\n0.956918 0.244554 0.009376 O\n0.043082 0.755446 0.990624 O\n0.204001 0.828707 0.678477 O\n0.964514 0.694729 0.315774 O\n0.295999 0.828707 0.178477 O\n0.704001 0.171293 0.821523 O\n",
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{
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"structure_string": "Li4 Si10 Ni4 O26\n1.0\n7.537014 0.000000 0.000000\n-2.397446 -7.270875 0.000000\n-3.638311 0.048758 -9.077319\nLi Si Ni O\n4 10 4 26\ndirect\n0.211060 0.928677 0.150618 Li\n0.155127 0.600117 0.259568 Li\n0.844873 0.399883 0.740432 Li\n0.788940 0.071323 0.849382 Li\n0.164877 0.783485 0.742951 Si\n0.208270 0.307251 0.952479 Si\n0.311155 0.546253 0.594256 Si\n0.250476 0.242940 0.268612 Si\n0.620431 0.291995 0.948129 Si\n0.379569 0.708005 0.051871 Si\n0.749524 0.757060 0.731388 Si\n0.688845 0.453747 0.405744 Si\n0.791730 0.692749 0.047521 Si\n0.835123 0.216515 0.257049 Si\n0.038387 0.855514 0.401926 Ni\n0.412885 0.168865 0.594789 Ni\n0.587115 0.831135 0.405211 Ni\n0.961613 0.144486 0.598074 Ni\n0.014047 0.224289 0.810689 O\n0.166040 0.953451 0.625449 O\n0.311999 0.849345 0.913393 O\n0.220815 0.611071 0.703791 O\n0.060884 0.315531 0.250976 O\n0.409002 0.321035 0.924812 O\n0.218072 0.323406 0.571180 O\n0.288049 0.685234 0.455006 O\n0.554805 0.577996 0.685390 O\n0.383377 0.785015 0.199979 O\n0.209588 0.505563 0.003383 O\n0.274657 0.071696 0.380805 O\n0.209130 0.172740 0.100749 O\n0.790870 0.827260 0.899251 O\n0.725343 0.928304 0.619195 O\n0.790412 0.494437 0.996617 O\n0.616623 0.214985 0.800021 O\n0.445195 0.422004 0.314610 O\n0.711951 0.314766 0.544994 O\n0.781928 0.676594 0.428820 O\n0.590998 0.678965 0.075188 O\n0.939116 0.684469 0.749024 O\n0.779185 0.388929 0.296209 O\n0.688001 0.150655 0.086607 O\n0.833960 0.046549 0.374551 O\n0.985953 0.775711 0.189311 O\n",
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{
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"structure_string": "Rb4 Na4 Al6 Ge6 O24\n1.0\n0.000000 0.000000 -5.387760\n0.000000 -8.500648 0.000000\n-15.828613 0.000000 0.000000\nRb Na Al Ge O\n4 4 6 6 24\ndirect\n0.809758 0.323565 0.741117 Rb\n0.309758 0.676435 0.758883 Rb\n0.309758 0.676435 0.241117 Rb\n0.809758 0.323565 0.258883 Rb\n0.795795 0.184576 0.000000 Na\n0.295795 0.815424 0.500000 Na\n0.295936 0.821192 0.000000 Na\n0.795936 0.178808 0.500000 Na\n0.337037 0.395496 0.000000 Al\n0.837037 0.604504 0.500000 Al\n0.822248 0.894857 0.858523 Al\n0.322248 0.105143 0.641477 Al\n0.322248 0.105143 0.358523 Al\n0.822248 0.894857 0.141477 Al\n0.837357 0.608493 0.000000 Ge\n0.337357 0.391507 0.500000 Ge\n0.822472 0.889413 0.641773 Ge\n0.322472 0.110587 0.858227 Ge\n0.322472 0.110587 0.141773 Ge\n0.822472 0.889413 0.358227 Ge\n0.933003 0.717549 0.589549 O\n0.433003 0.282451 0.910451 O\n0.433003 0.282451 0.089549 O\n0.933003 0.717549 0.410451 O\n0.511787 0.944167 0.887750 O\n0.011787 0.055833 0.612250 O\n0.011787 0.055833 0.387750 O\n0.511787 0.944167 0.112250 O\n0.510184 0.574460 0.000000 O\n0.010184 0.425540 0.500000 O\n0.841058 0.840536 0.750924 O\n0.341058 0.159464 0.749076 O\n0.341058 0.159464 0.250924 O\n0.841058 0.840536 0.249076 O\n0.509491 0.939167 0.613179 O\n0.009491 0.060833 0.886821 O\n0.009491 0.060833 0.113179 O\n0.509491 0.939167 0.386821 O\n0.011093 0.430543 0.000000 O\n0.511093 0.569457 0.500000 O\n0.932361 0.723107 0.910546 O\n0.432361 0.276893 0.589454 O\n0.432361 0.276893 0.410546 O\n0.932361 0.723107 0.089454 O\n",
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{
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{
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{
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"structure_string": "Sb4 Br24 N8\n1.0\n10.592308 0.000000 0.000000\n0.000000 10.592308 0.000000\n-5.296154 -5.296154 10.655124\nSb Br N\n4 24 8\ndirect\n0.250000 0.750000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.999798 0.255855 0.511709 Br\n0.511911 0.255855 0.511709 Br\n0.738089 0.494145 0.988291 Br\n0.250202 0.494145 0.988291 Br\n0.744145 0.000202 0.488291 Br\n0.744145 0.488089 0.488291 Br\n0.505855 0.261911 0.011709 Br\n0.505855 0.749798 0.011709 Br\n0.493681 0.749584 0.499167 Br\n0.005486 0.749584 0.499167 Br\n0.244514 0.000416 0.000833 Br\n0.756319 0.000416 0.000833 Br\n0.250416 0.506319 0.500833 Br\n0.250416 0.994514 0.500833 Br\n0.999584 0.755486 0.999167 Br\n0.999584 0.243681 0.999167 Br\n0.628691 0.128691 0.257381 Br\n0.621309 0.621309 0.242619 Br\n0.871309 0.371309 0.742619 Br\n0.378691 0.378691 0.757381 Br\n0.371291 0.871291 0.742582 Br\n0.878709 0.878709 0.757418 Br\n0.128709 0.628709 0.257418 Br\n0.121291 0.121291 0.242582 Br\n0.625000 0.656502 0.750000 N\n0.125000 0.093498 0.750000 N\n0.125000 0.656502 0.750000 N\n0.625000 0.093498 0.750000 N\n0.343498 0.375000 0.250000 N\n0.906502 0.875000 0.250000 N\n0.343498 0.875000 0.250000 N\n0.906502 0.375000 0.250000 N\n",
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{
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"structure_string": "Mg3 Si2 O9\n1.0\n2.707409 -4.689370 0.000000\n2.707409 4.689370 0.000000\n0.000000 0.000000 7.410611\nMg Si O\n3 2 9\ndirect\n0.000000 0.355863 0.452210 Mg\n0.355863 0.000000 0.452210 Mg\n0.644137 0.644137 0.452210 Mg\n0.666667 0.333333 0.070309 Si\n0.333333 0.666667 0.070309 Si\n0.000000 0.000000 0.347034 O\n0.694091 0.000000 0.574671 O\n0.000000 0.694091 0.574671 O\n0.305909 0.305909 0.574671 O\n0.499212 0.000000 0.999678 O\n0.000000 0.499212 0.999678 O\n0.500788 0.500788 0.999678 O\n0.666667 0.333333 0.293255 O\n0.333333 0.666667 0.293255 O\n",
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}