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{
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"results": [
{
"id": "mp-1046694",
"created_at": "2022-09-04T14:46:20.019510Z",
"structure_string": "Mg2 V2 Si2 O10\n1.0\n4.181979 3.243013 0.000000\n-4.181979 3.243013 0.000000\n0.000000 2.833284 6.386499\nMg V Si O\n2 2 2 10\ndirect\n0.826496 0.167503 0.765690 Mg\n0.167503 0.826496 0.265690 Mg\n0.500719 0.499539 0.508296 V\n0.499539 0.500719 0.008296 V\n0.174821 0.826211 0.755607 Si\n0.826211 0.174821 0.255607 Si\n0.402834 0.831051 0.877369 O\n0.164884 0.592815 0.636114 O\n0.592815 0.164884 0.136114 O\n0.831051 0.402834 0.377369 O\n0.771129 0.872892 0.420936 O\n0.133766 0.221446 0.097867 O\n0.221446 0.133766 0.597867 O\n0.872892 0.771129 0.920936 O\n0.418639 0.585016 0.255883 O\n0.585016 0.418639 0.755883 O\n",
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"spacegroup": 9
},
{
"id": "mp-1195880",
"created_at": "2022-09-04T14:41:34.835655Z",
"structure_string": "Ba12 Mg4 V16 O56\n1.0\n14.189773 0.000000 0.000000\n0.000000 7.297360 0.000000\n0.000000 4.668607 13.519951\nBa Mg V O\n12 4 16 56\ndirect\n0.945043 0.109169 0.718296 Ba\n0.445043 0.890831 0.781704 Ba\n0.054957 0.890831 0.281704 Ba\n0.554957 0.109169 0.218296 Ba\n0.729548 0.558450 0.704021 Ba\n0.229548 0.441550 0.795979 Ba\n0.270452 0.441550 0.295979 Ba\n0.770452 0.558450 0.204021 Ba\n0.893441 0.229477 0.015042 Ba\n0.393441 0.770523 0.484958 Ba\n0.106559 0.770523 0.984958 Ba\n0.606559 0.229477 0.515042 Ba\n0.901955 0.879692 0.506549 Mg\n0.401955 0.120308 0.993451 Mg\n0.098045 0.120308 0.493451 Mg\n0.598045 0.879692 0.006549 Mg\n0.972207 0.600758 0.739709 V\n0.472207 0.399242 0.760291 V\n0.027793 0.399242 0.260291 V\n0.527793 0.600758 0.239709 V\n0.109266 0.610141 0.549064 V\n0.609266 0.389859 0.950936 V\n0.890734 0.389859 0.450936 V\n0.390734 0.610141 0.049064 V\n0.687390 0.986063 0.767936 V\n0.187390 0.013937 0.732064 V\n0.312610 0.013937 0.232064 V\n0.812610 0.986063 0.267936 V\n0.829635 0.803591 0.949082 V\n0.329635 0.196409 0.550918 V\n0.170365 0.196409 0.050918 V\n0.670365 0.803591 0.449082 V\n0.900710 0.408487 0.799892 O\n0.400710 0.591513 0.700108 O\n0.099290 0.591513 0.200108 O\n0.599290 0.408487 0.299892 O\n0.022753 0.695592 0.820811 O\n0.522753 0.304408 0.679189 O\n0.977247 0.304408 0.179189 O\n0.477247 0.695592 0.320811 O\n0.902289 0.777479 0.658268 O\n0.402289 0.222521 0.841732 O\n0.097711 0.222521 0.341732 O\n0.597711 0.777479 0.158268 O\n0.058779 0.497847 0.674785 O\n0.558779 0.502153 0.825215 O\n0.941221 0.502153 0.325215 O\n0.441221 0.497847 0.174785 O\n0.053243 0.835913 0.486494 O\n0.553243 0.164087 0.013506 O\n0.946757 0.164087 0.513506 O\n0.446757 0.835913 0.986494 O\n0.222015 0.649756 0.573557 O\n0.722015 0.350244 0.926443 O\n0.777985 0.350244 0.426443 O\n0.277985 0.649756 0.073557 O\n0.107526 0.451620 0.483250 O\n0.607526 0.548380 0.016750 O\n0.892474 0.548380 0.516750 O\n0.392474 0.451620 0.983250 O\n0.742877 0.196786 0.699185 O\n0.242877 0.803214 0.800815 O\n0.257123 0.803214 0.300815 O\n0.757123 0.196786 0.199185 O\n0.624891 0.897480 0.689417 O\n0.124891 0.102520 0.810583 O\n0.375109 0.102520 0.310583 O\n0.875109 0.897480 0.189417 O\n0.608880 0.000291 0.856765 O\n0.108880 0.999709 0.643235 O\n0.391120 0.999709 0.143235 O\n0.891120 0.000291 0.356765 O\n0.778724 0.809850 0.827996 O\n0.278724 0.190150 0.672004 O\n0.221276 0.190150 0.172004 O\n0.721276 0.809850 0.327996 O\n0.923521 0.961961 0.922642 O\n0.423521 0.038039 0.577358 O\n0.076479 0.038039 0.077358 O\n0.576479 0.961961 0.422642 O\n0.868728 0.584716 0.023681 O\n0.368728 0.415284 0.476319 O\n0.131272 0.415284 0.976319 O\n0.631272 0.584716 0.523681 O\n0.747629 0.882101 0.015732 O\n0.247629 0.117899 0.484268 O\n0.252371 0.117899 0.984268 O\n0.752371 0.882101 0.515732 O\n",
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"density_atomic": 0.06285883603029085,
"volume": 1399.9622894320528,
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"formula_full": "Ba12 Mg4 V16 O56",
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"energy": -702.82834532,
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"updated_at": "2021-11-28T01:35:30.395000Z",
"spacegroup": 14
},
{
"id": "mp-715572",
"created_at": "2022-09-04T14:39:24.854271Z",
"structure_string": "Fe16 O24\n1.0\n-3.877005 6.738987 -2.717384\n3.845197 6.736810 2.757270\n7.743987 -0.026597 -2.768267\nFe O\n16 24\ndirect\n0.786070 0.968219 0.249597 Fe\n0.462866 0.751243 0.213078 Fe\n0.212963 0.037702 0.750711 Fe\n0.247812 0.784010 0.465117 Fe\n0.291592 0.460191 0.251467 Fe\n0.751887 0.216628 0.539392 Fe\n0.243335 0.288806 0.961015 Fe\n0.747662 0.717625 0.033882 Fe\n0.712504 0.537876 0.749767 Fe\n0.040149 0.249047 0.288938 Fe\n0.961328 0.749139 0.712990 Fe\n0.535806 0.252130 0.785641 Fe\n0.999183 0.501284 0.495860 Fe\n0.000091 0.996605 0.000820 Fe\n0.501697 0.499565 0.001037 Fe\n0.500053 0.998447 0.498233 Fe\n0.992539 0.046123 0.231404 O\n0.224486 0.727548 0.229768 O\n0.730953 0.775220 0.773762 O\n0.724298 0.001499 0.452217 O\n0.225637 0.042742 0.004683 O\n0.952545 0.275457 0.494503 O\n0.549583 0.457408 0.272909 O\n0.454774 0.773320 0.952206 O\n0.766956 0.959737 0.992139 O\n0.050567 0.499563 0.274707 O\n0.223886 0.544915 0.960233 O\n0.494896 0.235823 0.539434 O\n0.274923 0.995468 0.547272 O\n0.507140 0.763478 0.459274 O\n0.773702 0.274438 0.767323 O\n0.451433 0.543447 0.724120 O\n0.545846 0.230037 0.046046 O\n0.957885 0.492353 0.732873 O\n0.776056 0.458427 0.042057 O\n0.277293 0.262062 0.732619 O\n0.048368 0.723635 0.508514 O\n0.727391 0.732186 0.270630 O\n0.004288 0.954221 0.768091 O\n0.269555 0.222373 0.225675 O\n",
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"formula_full": "Fe16 O24",
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"updated_at": "2021-11-28T01:34:27.130000Z",
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},
{
"id": "mp-775524",
"created_at": "2022-09-04T14:46:13.232354Z",
"structure_string": "Li4 V6 Fe2 O16\n1.0\n2.982074 -5.096572 0.000000\n2.982074 5.096572 0.000000\n0.000000 0.000000 9.610758\nLi V Fe O\n4 6 2 16\ndirect\n0.334232 0.665768 0.894210 Li\n0.996926 0.003074 0.995347 Li\n0.003074 0.996926 0.495347 Li\n0.665768 0.334232 0.394210 Li\n0.165223 0.341196 0.215622 V\n0.658804 0.834777 0.215622 V\n0.171046 0.828954 0.210270 V\n0.828954 0.171046 0.710270 V\n0.341196 0.165223 0.715622 V\n0.834777 0.658804 0.715622 V\n0.338786 0.661214 0.491853 Fe\n0.661214 0.338786 0.991853 Fe\n0.170032 0.322976 0.603968 O\n0.481156 0.518844 0.336998 O\n0.343140 0.656860 0.099971 O\n0.995760 0.004240 0.309933 O\n0.004240 0.995760 0.809933 O\n0.677024 0.829968 0.603968 O\n0.039208 0.508648 0.337159 O\n0.491352 0.960792 0.337159 O\n0.833168 0.166832 0.102529 O\n0.166832 0.833168 0.602529 O\n0.508648 0.039208 0.837159 O\n0.960792 0.491352 0.837159 O\n0.656860 0.343140 0.599971 O\n0.322976 0.170032 0.103968 O\n0.518844 0.481156 0.836998 O\n0.829968 0.677024 0.103968 O\n",
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"formula_full": "Li4 V6 Fe2 O16",
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{
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"structure_string": "Li2 Cr4 P4 O16\n1.0\n8.098250 0.000000 0.000000\n0.000000 5.159061 0.000000\n0.000000 4.955395 9.296461\nLi Cr P O\n2 4 4 16\ndirect\n0.804010 0.959822 0.103439 Li\n0.195990 0.959822 0.603439 Li\n0.416947 0.038088 0.977064 Cr\n0.583053 0.038088 0.477064 Cr\n0.913650 0.483661 0.529408 Cr\n0.086350 0.483661 0.029408 Cr\n0.476562 0.291276 0.145043 P\n0.523438 0.291276 0.645043 P\n0.957336 0.082259 0.358353 P\n0.042664 0.082259 0.858353 P\n0.308819 0.260902 0.072546 O\n0.403086 0.190541 0.559259 O\n0.466965 0.069793 0.305023 O\n0.494960 0.603774 0.618813 O\n0.505040 0.603774 0.118813 O\n0.533035 0.069793 0.805023 O\n0.596914 0.190541 0.059259 O\n0.691181 0.260902 0.572546 O\n0.788728 0.902790 0.421429 O\n0.919728 0.845025 0.964751 O\n0.967018 0.133953 0.200134 O\n0.038142 0.375327 0.864238 O\n0.961858 0.375327 0.364238 O\n0.032982 0.133953 0.700134 O\n0.080272 0.845025 0.464751 O\n0.211272 0.902790 0.921429 O\n",
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"formula_full": "Li2 Cr4 P4 O16",
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{
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"created_at": "2022-09-04T14:47:25.788068Z",
"structure_string": "Ba2 Mg1 Mo4 P8 O28\n1.0\n7.945290 0.265947 1.624700\n0.189279 7.880675 1.499791\n0.380905 0.229296 10.237917\nBa Mg Mo P O\n2 1 4 8 28\ndirect\n0.997723 0.516454 0.983735 Ba\n0.491626 0.008583 0.524695 Ba\n0.600606 0.900316 0.080948 Mg\n0.007901 0.001876 0.498035 Mo\n0.014064 0.006961 0.011221 Mo\n0.458630 0.534145 0.256210 Mo\n0.560753 0.459624 0.742334 Mo\n0.805755 0.718392 0.292042 P\n0.255212 0.206894 0.208328 P\n0.209921 0.283385 0.714997 P\n0.715162 0.809146 0.790373 P\n0.744736 0.358719 0.436319 P\n0.625589 0.249231 0.046351 P\n0.269322 0.642916 0.562728 P\n0.367652 0.734507 0.937991 P\n0.943859 0.769511 0.161756 O\n0.248154 0.065126 0.334985 O\n0.081127 0.243734 0.853705 O\n0.773068 0.943063 0.663495 O\n0.629365 0.732316 0.247017 O\n0.275029 0.384765 0.232130 O\n0.395755 0.272774 0.731104 O\n0.744758 0.623247 0.773796 O\n0.791415 0.806272 0.409215 O\n0.121935 0.210573 0.126988 O\n0.193974 0.183888 0.609777 O\n0.766555 0.831642 0.920615 O\n0.846111 0.512875 0.325309 O\n0.444178 0.155334 0.107499 O\n0.414967 0.744042 0.075191 O\n0.280391 0.624352 0.415783 O\n0.658554 0.278568 0.891965 O\n0.742911 0.385678 0.578645 O\n0.377322 0.552285 0.911994 O\n0.445364 0.640340 0.597698 O\n0.637083 0.407395 0.104476 O\n0.162404 0.489515 0.669434 O\n0.196872 0.819469 0.922619 O\n0.171781 0.806284 0.595663 O\n0.741985 0.096567 0.096450 O\n0.837756 0.194327 0.403911 O\n0.505388 0.848547 0.820014 O\n0.563948 0.363029 0.407461 O\n",
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{
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"structure_string": "Li4 V6 O12\n1.0\n1.758946 -4.172979 -2.513649\n4.360358 -0.262933 5.001792\n-4.406177 -4.452725 2.543259\nLi V O\n4 6 12\ndirect\n0.996077 0.675871 0.675567 Li\n0.496252 0.175795 0.175437 Li\n0.998568 0.332513 0.332066 Li\n0.498601 0.832585 0.832103 Li\n0.248713 0.749356 0.248941 V\n0.252493 0.085697 0.583383 V\n0.252342 0.412632 0.914284 V\n0.748704 0.248854 0.749267 V\n0.752552 0.585626 0.083329 V\n0.752203 0.912876 0.414058 V\n0.387690 0.135226 0.855075 O\n0.887832 0.635363 0.354881 O\n0.620770 0.848515 0.134211 O\n0.120927 0.348449 0.634517 O\n0.865434 0.319558 0.037113 O\n0.365512 0.819758 0.536891 O\n0.382338 0.468821 0.184918 O\n0.882280 0.968659 0.684816 O\n0.629089 0.534808 0.814607 O\n0.128932 0.035021 0.314563 O\n0.116319 0.686962 0.969891 O\n0.616373 0.187056 0.470082 O\n",
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"formula_full": "Li4 V6 O12",
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{
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"structure_string": "Sm2 Se1 O2\n1.0\n1.978246 -3.426422 0.000000\n1.978246 3.426422 0.000000\n0.000000 0.000000 6.984786\nSm Se O\n2 1 2\ndirect\n0.666667 0.333333 0.710443 Sm\n0.333333 0.666667 0.289557 Sm\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.374377 O\n0.333333 0.666667 0.625623 O\n",
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