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{
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{
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"structure_string": "Zn2 Fe6 P8 O28\n1.0\n7.760168 0.000000 0.000000\n0.000000 7.260404 0.000000\n0.000000 3.386014 8.977955\nZn Fe P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.130434 0.814659 0.514325 Fe\n0.630434 0.185341 0.985675 Fe\n0.869566 0.185341 0.485675 Fe\n0.369566 0.814659 0.014325 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.931633 0.421016 0.706921 P\n0.431633 0.578984 0.793079 P\n0.068367 0.578984 0.293079 P\n0.568367 0.421016 0.206921 P\n0.205934 0.136292 0.688902 P\n0.705934 0.863708 0.811098 P\n0.794066 0.863708 0.311098 P\n0.294066 0.136292 0.188902 P\n0.378958 0.193451 0.607329 O\n0.878958 0.806549 0.892671 O\n0.621042 0.806549 0.392671 O\n0.121042 0.193451 0.107329 O\n0.399791 0.684302 0.620166 O\n0.899791 0.315698 0.879834 O\n0.600209 0.315698 0.379834 O\n0.100209 0.684302 0.120166 O\n0.794747 0.367689 0.613102 O\n0.294747 0.632311 0.886898 O\n0.205253 0.632311 0.386898 O\n0.705253 0.367689 0.113102 O\n0.116584 0.342341 0.671965 O\n0.616584 0.657659 0.828035 O\n0.883416 0.657659 0.328035 O\n0.383416 0.342341 0.171965 O\n0.530876 0.636395 0.173769 O\n0.030876 0.363605 0.326231 O\n0.469124 0.363605 0.826231 O\n0.969124 0.636395 0.673769 O\n0.788753 0.973771 0.140552 O\n0.288753 0.026229 0.359448 O\n0.211247 0.026229 0.859448 O\n0.711247 0.973771 0.640552 O\n0.411730 0.031605 0.112770 O\n0.911730 0.968395 0.387230 O\n0.588270 0.968395 0.887230 O\n0.088270 0.031605 0.612770 O\n",
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{
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"structure_string": "Ca1 Mg14 Nb1\n1.0\n6.454504 -0.014846 0.000000\n-3.240109 5.612033 0.000000\n0.000000 0.000000 10.226782\nCa Mg Nb\n1 14 1\ndirect\n0.167287 0.333643 0.125000 Ca\n0.167399 0.333699 0.625000 Mg\n0.165745 0.832872 0.625000 Mg\n0.663970 0.331076 0.125000 Mg\n0.666477 0.334664 0.625000 Mg\n0.663970 0.832894 0.125000 Mg\n0.666477 0.831812 0.625000 Mg\n0.331944 0.156341 0.375652 Mg\n0.331944 0.156341 0.874348 Mg\n0.331944 0.675605 0.375652 Mg\n0.331944 0.675605 0.874348 Mg\n0.827195 0.163598 0.380809 Mg\n0.827195 0.163598 0.869191 Mg\n0.840309 0.670155 0.368278 Mg\n0.840309 0.670155 0.881722 Mg\n0.175888 0.837943 0.125000 Nb\n",
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"spacegroup": 38
},
{
"id": "mp-25349",
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"structure_string": "Mo1 O2\n1.0\n5.242297 -1.479109 0.000000\n5.242297 1.479109 0.000000\n4.824968 0.000000 2.527673\nMo O\n1 2\ndirect\n0.500000 0.500000 0.500000 Mo\n0.757964 0.757964 0.757964 O\n0.242036 0.242036 0.242036 O\n",
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{
"id": "mp-1101267",
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"structure_string": "V12 Pb8 O36\n1.0\n-7.484061 0.000000 0.000000\n1.912324 8.929193 0.000000\n-0.733158 -4.278687 -11.901497\nV Pb O\n12 8 36\ndirect\n0.693684 0.364166 0.045266 V\n0.806358 0.132461 0.453222 V\n0.086091 0.011327 0.171937 V\n0.725368 0.754113 0.247367 V\n0.413339 0.486882 0.328093 V\n0.778978 0.255701 0.747322 V\n0.221022 0.744299 0.252678 V\n0.586661 0.513118 0.671907 V\n0.274632 0.245887 0.752633 V\n0.913909 0.988673 0.828063 V\n0.193642 0.867539 0.546778 V\n0.306316 0.635834 0.954734 V\n0.594171 0.057614 0.158552 Pb\n0.900607 0.437583 0.342017 Pb\n0.172082 0.292656 0.053067 Pb\n0.327048 0.207381 0.448224 Pb\n0.672952 0.792619 0.551776 Pb\n0.827918 0.707344 0.946933 Pb\n0.099393 0.562417 0.657983 Pb\n0.405829 0.942386 0.841448 Pb\n0.810368 0.316769 0.141141 O\n0.480926 0.239446 0.025272 O\n0.690585 0.568613 0.102366 O\n0.688898 0.181530 0.358234 O\n0.989026 0.698528 0.268655 O\n0.862423 0.883966 0.156477 O\n0.440979 0.295596 0.270107 O\n0.699438 0.164296 0.583501 O\n0.637937 0.612592 0.341080 O\n0.198134 0.668067 0.084343 O\n0.056429 0.201886 0.229621 O\n0.761108 0.029979 0.742408 O\n0.981413 0.742719 0.527004 O\n0.518941 0.801285 0.235870 O\n0.262459 0.528161 0.242148 O\n0.679522 0.495950 0.542941 O\n0.811705 0.928694 0.394613 O\n0.179259 0.995702 0.043534 O\n0.820741 0.004298 0.956466 O\n0.188295 0.071306 0.605387 O\n0.320478 0.504050 0.457059 O\n0.737541 0.471839 0.757852 O\n0.481059 0.198715 0.764130 O\n0.018587 0.257281 0.472996 O\n0.238892 0.970021 0.257592 O\n0.943571 0.798114 0.770379 O\n0.801866 0.331933 0.915657 O\n0.362063 0.387408 0.658920 O\n0.300562 0.835704 0.416499 O\n0.559021 0.704404 0.729893 O\n0.137577 0.116034 0.843523 O\n0.010974 0.301472 0.731345 O\n0.311102 0.818470 0.641766 O\n0.309415 0.431387 0.897634 O\n0.519074 0.760554 0.974728 O\n0.189632 0.683231 0.858859 O\n",
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"formula_full": "V12 Pb8 O36",
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{
"id": "mp-849403",
"created_at": "2022-09-04T14:46:53.992551Z",
"structure_string": "Li8 Fe20 F68\n1.0\n3.758418 -12.499104 0.000000\n3.758418 12.499104 0.000000\n0.000000 0.000000 14.961753\nLi Fe F\n8 20 68\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.694073 0.305927 0.750000 Li\n0.749600 0.250400 0.555840 Li\n0.749600 0.250400 0.944160 Li\n0.305927 0.694073 0.250000 Li\n0.250400 0.749600 0.444160 Li\n0.250400 0.749600 0.055840 Li\n0.882772 0.619781 0.124300 Fe\n0.882772 0.619781 0.375700 Fe\n0.750025 0.745090 0.250000 Fe\n0.874363 0.623694 0.880273 Fe\n0.874363 0.623694 0.619727 Fe\n0.376306 0.125637 0.619727 Fe\n0.376306 0.125637 0.880273 Fe\n0.619781 0.882772 0.624300 Fe\n0.619781 0.882772 0.875700 Fe\n0.254910 0.249975 0.250000 Fe\n0.745090 0.750025 0.750000 Fe\n0.380219 0.117228 0.375700 Fe\n0.380219 0.117228 0.124300 Fe\n0.623694 0.874363 0.380273 Fe\n0.623694 0.874363 0.119727 Fe\n0.125637 0.376306 0.380273 Fe\n0.125637 0.376306 0.119727 Fe\n0.249975 0.254910 0.750000 Fe\n0.117228 0.380219 0.624300 Fe\n0.117228 0.380219 0.875700 Fe\n0.014222 0.614006 0.089419 F\n0.014222 0.614006 0.410581 F\n0.857254 0.756499 0.843969 F\n0.857254 0.756499 0.656031 F\n0.901488 0.701463 0.498170 F\n0.901488 0.701463 0.001830 F\n0.754130 0.645226 0.156354 F\n0.754130 0.645226 0.343646 F\n0.872204 0.482114 0.904953 F\n0.872204 0.482114 0.595047 F\n0.855635 0.554424 0.250000 F\n0.839225 0.550019 0.750000 F\n0.600849 0.399151 0.609423 F\n0.886036 0.113964 0.848038 F\n0.641694 0.358306 0.408765 F\n0.978414 0.021586 0.750000 F\n0.854838 0.145162 0.360485 F\n0.886036 0.113964 0.651962 F\n0.521607 0.478393 0.750000 F\n0.854838 0.145162 0.139515 F\n0.600849 0.399151 0.890577 F\n0.641694 0.358306 0.091235 F\n0.614006 0.014222 0.910581 F\n0.614006 0.014222 0.589419 F\n0.449981 0.160775 0.750000 F\n0.756499 0.857254 0.343969 F\n0.756499 0.857254 0.156031 F\n0.445576 0.144365 0.250000 F\n0.517886 0.127796 0.904953 F\n0.517886 0.127796 0.595047 F\n0.701463 0.901488 0.998170 F\n0.701463 0.901488 0.501830 F\n0.354774 0.245870 0.156354 F\n0.354774 0.245870 0.343646 F\n0.645226 0.754130 0.843646 F\n0.645226 0.754130 0.656354 F\n0.298537 0.098512 0.498170 F\n0.298537 0.098512 0.001830 F\n0.482114 0.872204 0.404953 F\n0.482114 0.872204 0.095047 F\n0.554424 0.855635 0.750000 F\n0.243501 0.142746 0.843969 F\n0.243501 0.142746 0.656031 F\n0.550019 0.839225 0.250000 F\n0.385994 0.985778 0.410581 F\n0.385994 0.985778 0.089419 F\n0.113964 0.886036 0.348038 F\n0.478393 0.521607 0.250000 F\n0.021586 0.978414 0.250000 F\n0.399151 0.600849 0.390577 F\n0.399151 0.600849 0.109423 F\n0.358306 0.641694 0.591235 F\n0.358306 0.641694 0.908765 F\n0.113964 0.886036 0.151962 F\n0.145162 0.854838 0.639515 F\n0.145162 0.854838 0.860485 F\n0.160775 0.449981 0.250000 F\n0.144365 0.445576 0.750000 F\n0.127796 0.517886 0.404953 F\n0.127796 0.517886 0.095047 F\n0.245870 0.354774 0.656354 F\n0.245870 0.354774 0.843646 F\n0.098512 0.298537 0.501830 F\n0.098512 0.298537 0.998170 F\n0.142746 0.243501 0.343969 F\n0.142746 0.243501 0.156031 F\n0.985778 0.385994 0.589419 F\n0.985778 0.385994 0.910581 F\n",
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{
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"structure_string": "Eu4 Re12 S22\n1.0\n10.900629 -4.554679 0.000000\n10.900629 4.554679 0.000000\n8.997518 0.000000 7.655943\nEu Re S\n4 12 22\ndirect\n0.809778 0.809778 0.809778 Eu\n0.690222 0.690222 0.690222 Eu\n0.190222 0.190222 0.190222 Eu\n0.309778 0.309778 0.309778 Eu\n0.713776 0.505569 0.383783 Re\n0.505569 0.383783 0.713776 Re\n0.786224 0.116217 0.994431 Re\n0.005569 0.213776 0.883783 Re\n0.213776 0.883783 0.005569 Re\n0.994431 0.786224 0.116217 Re\n0.616217 0.286224 0.494431 Re\n0.383783 0.713776 0.505569 Re\n0.883783 0.005569 0.213776 Re\n0.286224 0.494431 0.616217 Re\n0.494431 0.616217 0.286224 Re\n0.116217 0.994431 0.786224 Re\n0.800646 0.416788 0.191679 S\n0.199354 0.583212 0.808321 S\n0.750000 0.000064 0.499936 S\n0.916788 0.300646 0.691679 S\n0.907207 0.907207 0.907207 S\n0.583212 0.808321 0.199354 S\n0.699354 0.308321 0.083212 S\n0.308321 0.083212 0.699354 S\n0.300646 0.691679 0.916788 S\n0.691679 0.916788 0.300646 S\n0.250000 0.999936 0.500064 S\n0.083212 0.699354 0.308321 S\n0.499936 0.750000 0.000064 S\n0.000064 0.499936 0.750000 S\n0.092793 0.092793 0.092793 S\n0.191679 0.800646 0.416788 S\n0.808321 0.199354 0.583212 S\n0.416788 0.191679 0.800646 S\n0.407207 0.407207 0.407207 S\n0.999936 0.500064 0.250000 S\n0.592793 0.592793 0.592793 S\n0.500064 0.250000 0.999936 S\n",
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{
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"structure_string": "Sr7 La1 Cu4 Bi8 O24\n1.0\n9.454747 0.000000 0.000000\n4.352513 9.081087 0.000000\n4.286222 3.017357 8.650180\nSr La Cu Bi O\n7 1 4 8 24\ndirect\n0.595868 0.435268 0.613124 Sr\n0.544336 0.279273 0.101972 Sr\n0.128731 0.949413 0.117996 Sr\n0.881176 0.064128 0.862686 Sr\n0.035672 0.788360 0.634264 Sr\n0.365642 0.774915 0.752327 Sr\n0.309579 0.553347 0.401210 Sr\n0.005265 0.229936 0.392681 La\n0.529561 0.975597 0.056770 Cu\n0.901854 0.314302 0.085289 Cu\n0.962018 0.513333 0.460271 Cu\n0.641346 0.163758 0.403415 Cu\n0.715239 0.655355 0.145936 Bi\n0.569984 0.052642 0.723386 Bi\n0.801023 0.555275 0.801105 Bi\n0.187098 0.231829 0.660177 Bi\n0.770624 0.854379 0.363471 Bi\n0.156257 0.590859 0.110986 Bi\n0.340499 0.941554 0.383930 Bi\n0.289461 0.301842 0.934193 Bi\n0.276852 0.214412 0.178980 O\n0.347745 0.693965 0.543154 O\n0.142465 0.009589 0.594718 O\n0.552775 0.073633 0.344593 O\n0.394121 0.304743 0.640915 O\n0.715359 0.777118 0.627723 O\n0.054562 0.691104 0.315114 O\n0.375609 0.650153 0.098581 O\n0.369717 0.032361 0.961271 O\n0.930216 0.440405 0.157090 O\n0.362454 0.501678 0.910716 O\n0.884790 0.180369 0.024095 O\n0.110272 0.825897 0.955645 O\n0.521534 0.518771 0.146545 O\n0.727109 0.889695 0.109088 O\n0.049078 0.523356 0.668441 O\n0.569299 0.211076 0.871445 O\n0.885700 0.334120 0.613723 O\n0.194505 0.361558 0.420074 O\n0.395348 0.020071 0.668881 O\n0.746880 0.631397 0.402489 O\n0.109377 0.962528 0.361272 O\n0.738638 0.215564 0.489510 O\n0.814362 0.711073 0.890749 O\n",
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