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{
"id": "mp-1077116",
"created_at": "2022-09-04T14:40:09.676857Z",
"structure_string": "Nb2 P4\n1.0\n1.646265 4.456460 0.000000\n-1.646265 4.456460 0.000000\n0.000000 3.667606 6.618081\nNb P\n2 4\ndirect\n0.160366 0.160366 0.799370 Nb\n0.839634 0.839634 0.200630 Nb\n0.404426 0.404426 0.898291 P\n0.595574 0.595574 0.101709 P\n0.866584 0.866584 0.526081 P\n0.133416 0.133416 0.473919 P\n",
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{
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"structure_string": "Ag8 As8 O28\n1.0\n13.762268 0.000000 0.000000\n0.000000 6.330317 0.000000\n0.000000 4.045036 7.057822\nAg As O\n8 8 28\ndirect\n0.241134 0.152155 0.434962 Ag\n0.258866 0.152155 0.934962 Ag\n0.758866 0.847845 0.565038 Ag\n0.741134 0.847845 0.065038 Ag\n0.979817 0.058032 0.676650 Ag\n0.520183 0.058032 0.176650 Ag\n0.020183 0.941968 0.323350 Ag\n0.479817 0.941968 0.823350 Ag\n0.197335 0.639415 0.947775 As\n0.302665 0.639415 0.447775 As\n0.802665 0.360585 0.052225 As\n0.697335 0.360585 0.552225 As\n0.002385 0.499936 0.182217 As\n0.497615 0.499936 0.682217 As\n0.997615 0.500064 0.817783 As\n0.502385 0.500064 0.317783 As\n0.958628 0.695104 0.932127 O\n0.541372 0.695104 0.432127 O\n0.041372 0.304896 0.067873 O\n0.458628 0.304896 0.567873 O\n0.959349 0.677561 0.276447 O\n0.540651 0.677561 0.776447 O\n0.040651 0.322439 0.723553 O\n0.459349 0.322439 0.223553 O\n0.045928 0.220402 0.397459 O\n0.454072 0.220402 0.897459 O\n0.954072 0.779598 0.602541 O\n0.545928 0.779598 0.102541 O\n0.126426 0.655444 0.121682 O\n0.373574 0.655444 0.621682 O\n0.873574 0.344556 0.878318 O\n0.626426 0.344556 0.378318 O\n0.125217 0.656415 0.763724 O\n0.374783 0.656415 0.263724 O\n0.874783 0.343585 0.236276 O\n0.625217 0.343585 0.736276 O\n0.263251 0.375915 0.060104 O\n0.236749 0.375915 0.560104 O\n0.736749 0.624085 0.939896 O\n0.763251 0.624085 0.439896 O\n0.267029 0.898600 0.835811 O\n0.232971 0.898600 0.335811 O\n0.732971 0.101400 0.164189 O\n0.767029 0.101400 0.664189 O\n",
"nsites": 44,
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"elements": [
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"As",
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],
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"density": 5.158992142424909,
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"volume": 614.8740583848754,
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"formula_full": "Ag8 As8 O28",
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"spacegroup": 14
},
{
"id": "mp-759929",
"created_at": "2022-09-04T14:40:09.553101Z",
"structure_string": "Li4 Mn8 F28\n1.0\n5.095760 0.000000 0.000000\n0.000000 7.508735 0.000000\n0.000000 1.873929 13.125085\nLi Mn F\n4 8 28\ndirect\n0.280344 0.857810 0.559759 Li\n0.772941 0.599560 0.428201 Li\n0.272941 0.400440 0.571799 Li\n0.780344 0.142190 0.440241 Li\n0.770351 0.975398 0.106581 Mn\n0.261431 0.918694 0.317484 Mn\n0.761329 0.582311 0.683388 Mn\n0.261113 0.525080 0.894700 Mn\n0.761113 0.474920 0.105300 Mn\n0.261329 0.417689 0.316612 Mn\n0.761431 0.081306 0.682516 Mn\n0.270351 0.024602 0.893419 Mn\n0.951958 0.989123 0.798438 F\n0.537023 0.949001 0.410198 F\n0.612274 0.823947 0.665389 F\n0.372245 0.782160 0.881972 F\n0.056934 0.828014 0.428074 F\n0.090544 0.941968 0.013235 F\n0.959542 0.886421 0.227843 F\n0.960954 0.593810 0.820001 F\n0.069625 0.652771 0.616717 F\n0.660381 0.733759 0.096981 F\n0.400982 0.659290 0.310203 F\n0.570245 0.562031 0.550534 F\n0.461421 0.498888 0.759999 F\n0.560758 0.457547 0.972305 F\n0.060758 0.542453 0.027695 F\n0.961421 0.501112 0.240001 F\n0.070245 0.437969 0.449466 F\n0.900982 0.340710 0.689797 F\n0.160381 0.266241 0.903019 F\n0.569625 0.347229 0.383283 F\n0.460954 0.406190 0.179999 F\n0.459542 0.113579 0.772157 F\n0.590544 0.058032 0.986765 F\n0.556934 0.171986 0.571926 F\n0.872245 0.217840 0.118028 F\n0.112274 0.176053 0.334611 F\n0.037023 0.050999 0.589802 F\n0.451958 0.010877 0.201562 F\n",
"nsites": 40,
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"elements": [
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"Mn",
"F"
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"density": 3.303953560682537,
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"volume": 502.2013402902244,
"volume_molar": 7.560817902720976,
"formula_full": "Li4 Mn8 F28",
"formula_reduced": "LiMn2F7",
"formula_anonymous": "AB2C7",
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"spacegroup": 4
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{
"id": "mp-1102155",
"created_at": "2022-09-04T14:40:09.553309Z",
"structure_string": "Er4 Al4 Au4\n1.0\n4.401073 0.000000 0.000000\n0.000000 7.164911 0.000000\n0.000000 0.000000 7.840532\nEr Al Au\n4 4 4\ndirect\n0.250000 0.011720 0.310337 Er\n0.250000 0.511720 0.189663 Er\n0.750000 0.988280 0.689663 Er\n0.750000 0.488280 0.810337 Er\n0.250000 0.165085 0.927248 Al\n0.250000 0.665085 0.572752 Al\n0.750000 0.834915 0.072752 Al\n0.750000 0.334915 0.427248 Al\n0.250000 0.285691 0.605064 Au\n0.250000 0.785691 0.894936 Au\n0.750000 0.714309 0.394936 Au\n0.750000 0.214309 0.105064 Au\n",
"nsites": 12,
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"elements": [
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"Al",
"Au"
],
"chemical_system": "Al-Au-Er",
"density": 10.509956570277502,
"density_atomic": 0.04853626376411761,
"volume": 247.23781909376146,
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"formula_full": "Er4 Al4 Au4",
"formula_reduced": "ErAlAu",
"formula_anonymous": "ABC",
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},
{
"id": "mp-1644001",
"created_at": "2022-09-04T14:40:09.556041Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.575105 -0.027323 -2.268540\n0.675220 6.130864 4.507291\n4.683835 -6.132206 6.250359\nLi Mn O\n14 10 24\ndirect\n0.169221 0.665768 0.002740 Li\n0.669698 0.165756 0.502721 Li\n0.677924 0.422449 0.755451 Li\n0.178188 0.922629 0.255511 Li\n0.151302 0.406945 0.744506 Li\n0.651137 0.906815 0.244354 Li\n0.848380 0.586760 0.244281 Li\n0.348464 0.086637 0.744148 Li\n0.503108 0.755507 0.761037 Li\n0.003349 0.255546 0.261102 Li\n0.995621 0.740251 0.749158 Li\n0.495697 0.240265 0.249039 Li\n0.320043 0.583716 0.243163 Li\n0.820107 0.083714 0.743141 Li\n0.168694 0.166607 0.500230 Mn\n0.496833 0.496794 0.497811 Mn\n0.832798 0.837477 0.501478 Mn\n0.490418 0.996687 0.996875 Mn\n0.842693 0.340717 0.002718 Mn\n0.668497 0.666517 0.000093 Mn\n0.996576 0.996885 0.997698 Mn\n0.332610 0.337430 0.001411 Mn\n0.990674 0.496767 0.497046 Mn\n0.342632 0.840616 0.502750 Mn\n0.893009 0.790467 0.105637 O\n0.393351 0.290604 0.605861 O\n0.444826 0.545808 0.893270 O\n0.945318 0.045952 0.393409 O\n0.608540 0.468605 0.118404 O\n0.108685 0.968808 0.618502 O\n0.726743 0.867103 0.883324 O\n0.227066 0.367139 0.383426 O\n0.268414 0.122743 0.115655 O\n0.768689 0.622739 0.615749 O\n0.063976 0.207449 0.884892 O\n0.564168 0.707426 0.384962 O\n0.432939 0.797785 0.112875 O\n0.933267 0.297856 0.612993 O\n0.903613 0.543881 0.884859 O\n0.403913 0.044060 0.384856 O\n0.098352 0.445633 0.121021 O\n0.598509 0.945671 0.621049 O\n0.762588 0.394150 0.392361 O\n0.262237 0.894096 0.892215 O\n0.733877 0.115839 0.103748 O\n0.234237 0.615926 0.603891 O\n0.564366 0.200515 0.884219 O\n0.064651 0.700488 0.384360 O\n",
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"elements": [
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"volume": 441.80733388205806,
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"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
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"spacegroup": 1
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{
"id": "mp-1212987",
"created_at": "2022-09-04T14:40:09.559283Z",
"structure_string": "Dy4 Mg4 B20 O40\n1.0\n7.655401 0.000000 0.000000\n0.000000 8.629023 0.000000\n0.000000 8.043541 9.374018\nDy Mg B O\n4 4 20 40\ndirect\n0.191831 0.945920 0.241373 Dy\n0.808169 0.054080 0.758627 Dy\n0.691831 0.054080 0.258627 Dy\n0.308169 0.945920 0.741373 Dy\n0.909099 0.526880 0.371906 Mg\n0.090901 0.473120 0.628094 Mg\n0.409099 0.473120 0.128094 Mg\n0.590901 0.526880 0.871906 Mg\n0.826632 0.912810 0.103818 B\n0.173368 0.087190 0.896182 B\n0.326632 0.087190 0.396182 B\n0.673368 0.912810 0.603818 B\n0.576050 0.659107 0.258334 B\n0.423950 0.340893 0.741666 B\n0.076050 0.340893 0.241666 B\n0.923950 0.659107 0.758334 B\n0.812390 0.477373 0.088319 B\n0.187610 0.522627 0.911681 B\n0.312390 0.522627 0.411681 B\n0.687610 0.477373 0.588319 B\n0.468262 0.722072 0.555486 B\n0.531738 0.277928 0.444514 B\n0.968262 0.277928 0.944514 B\n0.031738 0.722072 0.055486 B\n0.598156 0.846797 0.994598 B\n0.401844 0.153203 0.005402 B\n0.098156 0.153203 0.505402 B\n0.901844 0.846797 0.494598 B\n0.912880 0.312038 0.194279 O\n0.087120 0.687962 0.805721 O\n0.412880 0.687962 0.305721 O\n0.587120 0.312038 0.694279 O\n0.873249 0.673151 0.009549 O\n0.126751 0.326849 0.990451 O\n0.373249 0.326849 0.490451 O\n0.626751 0.673151 0.509549 O\n0.390561 0.906051 0.418752 O\n0.609439 0.093949 0.581248 O\n0.890561 0.093949 0.081248 O\n0.109439 0.906051 0.918752 O\n0.710532 0.804373 0.230866 O\n0.289468 0.195627 0.769134 O\n0.210532 0.195627 0.269134 O\n0.789468 0.804373 0.730866 O\n0.650708 0.422658 0.073790 O\n0.349292 0.577342 0.926210 O\n0.150708 0.577342 0.426210 O\n0.849292 0.422658 0.573790 O\n0.771199 0.973698 0.478825 O\n0.228801 0.026302 0.521175 O\n0.271199 0.026302 0.021175 O\n0.728801 0.973698 0.978825 O\n0.649880 0.453379 0.365136 O\n0.350120 0.546621 0.634864 O\n0.149880 0.546621 0.134864 O\n0.850120 0.453379 0.865136 O\n0.530573 0.689945 0.127104 O\n0.469427 0.310055 0.872896 O\n0.030573 0.310055 0.372896 O\n0.969427 0.689945 0.627104 O\n0.952560 0.883387 0.374952 O\n0.047440 0.116613 0.625048 O\n0.452560 0.116613 0.125048 O\n0.547440 0.883387 0.874952 O\n0.971823 0.766751 0.148089 O\n0.028177 0.233249 0.851911 O\n0.471823 0.233249 0.351911 O\n0.528177 0.766751 0.648089 O\n",
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{
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"structure_string": "Na2 Ag1 Au1 Br6\n1.0\n0.000000 5.377774 5.377774\n5.377774 0.000000 5.377774\n5.377774 5.377774 0.000000\nNa Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.751894 0.248106 0.248106 Br\n0.248106 0.248106 0.751894 Br\n0.248106 0.751894 0.751894 Br\n0.248106 0.751894 0.248106 Br\n0.751894 0.248106 0.751894 Br\n0.751894 0.751894 0.248106 Br\n",
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{
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},
{
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"structure_string": "Li6 Mn2 Co6 O16\n1.0\n-2.897601 4.934133 -0.021695\n-0.045363 -3.336562 4.880199\n8.892071 5.046810 -0.050526\nLi Mn Co O\n6 2 6 16\ndirect\n0.749147 0.497827 0.243095 Li\n0.252006 0.503327 0.755905 Li\n0.999344 0.500035 0.001498 Li\n0.499907 0.499275 0.498196 Li\n0.001064 0.497950 0.497759 Li\n0.499892 0.503585 0.002434 Li\n0.994782 0.996942 0.999743 Mn\n0.503729 0.002259 0.500616 Mn\n0.496499 0.999025 0.999748 Co\n0.748629 0.997590 0.750755 Co\n0.254644 0.000770 0.754514 Co\n0.002890 0.000531 0.500125 Co\n0.252965 0.001077 0.248156 Co\n0.747139 0.000320 0.247896 Co\n0.885445 0.770900 0.120092 O\n0.393579 0.779508 0.620843 O\n0.105712 0.220090 0.878451 O\n0.614295 0.228858 0.381308 O\n0.104481 0.208507 0.380499 O\n0.596213 0.209862 0.876402 O\n0.908442 0.797222 0.620822 O\n0.392580 0.786097 0.121310 O\n0.138257 0.785210 0.389998 O\n0.632504 0.780974 0.890016 O\n0.647040 0.785124 0.390293 O\n0.135030 0.779860 0.886258 O\n0.358483 0.216690 0.610960 O\n0.855742 0.216922 0.112240 O\n0.869490 0.217274 0.608147 O\n0.360070 0.216389 0.111920 O\n",
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{
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"structure_string": "Na2 Mg12 Mn2\n1.0\n5.135228 0.000000 0.000000\n0.000000 6.360472 0.000000\n0.000000 0.000000 11.032889\nNa Mg Mn\n2 12 2\ndirect\n0.500000 0.500000 0.168206 Na\n0.500000 0.000000 0.668206 Na\n0.000000 0.752354 0.081887 Mg\n0.000000 0.247646 0.081887 Mg\n0.000000 0.000000 0.334136 Mg\n0.500000 0.258641 0.413470 Mg\n0.500000 0.741359 0.413470 Mg\n0.500000 0.000000 0.166180 Mg\n0.000000 0.252354 0.581887 Mg\n0.000000 0.747646 0.581887 Mg\n0.000000 0.500000 0.834136 Mg\n0.500000 0.758641 0.913470 Mg\n0.500000 0.241359 0.913470 Mg\n0.500000 0.500000 0.666180 Mg\n0.000000 0.500000 0.340765 Mn\n0.000000 0.000000 0.840765 Mn\n",
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"formula_full": "Na2 Mg12 Mn2",
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{
"id": "mp-1043991",
"created_at": "2022-09-04T14:40:09.576245Z",
"structure_string": "La2 Mg2 Ta2 Fe2 O12\n1.0\n-0.000129 5.454329 -0.013552\n0.001872 -0.019602 8.032772\n5.618781 -0.000227 0.001288\nLa Mg Ta Fe O\n2 2 2 2 12\ndirect\n0.992172 0.249856 0.048941 La\n0.492056 0.749772 0.451329 La\n0.525924 0.256952 0.553772 Mg\n0.025825 0.757136 0.946453 Mg\n0.002659 0.498091 0.509707 Ta\n0.502791 0.998140 0.990264 Ta\n0.499005 0.499114 0.004387 Fe\n0.998821 0.998916 0.495525 Fe\n0.647293 0.769331 0.035182 O\n0.146751 0.269165 0.465187 O\n0.194604 0.938625 0.183640 O\n0.694331 0.438818 0.316282 O\n0.164216 0.570877 0.203461 O\n0.664397 0.070976 0.296356 O\n0.902051 0.734346 0.566619 O\n0.401694 0.234172 0.932938 O\n0.281851 0.557242 0.716314 O\n0.782030 0.057700 0.783732 O\n0.290952 0.925292 0.724810 O\n0.790573 0.425484 0.775100 O\n",
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{
"id": "mp-1227840",
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"structure_string": "Ba1 Nd1 Mn1 Co1 O5\n1.0\n3.980039 0.000000 0.000000\n0.000000 3.980039 0.000000\n0.000000 0.000000 7.888190\nBa Nd Mn Co O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.990506 Ba\n0.000000 0.000000 0.506131 Nd\n0.500000 0.500000 0.257368 Mn\n0.500000 0.500000 0.738448 Co\n0.500000 0.000000 0.692244 O\n0.000000 0.500000 0.692244 O\n0.500000 0.000000 0.310092 O\n0.000000 0.500000 0.310092 O\n0.500000 0.500000 0.002875 O\n",
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]
}