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{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
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{
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.560570 4.410848 -0.002938\n-2.560570 4.410848 0.002938\n-3.490765 0.000000 9.562315\nLi Mn O F\n8 4 8 4\ndirect\n0.000001 -0.000001 0.750000 Li\n0.364437 0.327819 0.754884 Li\n0.635566 0.672179 0.745117 Li\n0.486457 0.486455 0.500000 Li\n0.000000 -0.000000 0.250000 Li\n0.327821 0.364435 0.245116 Li\n0.672181 0.635564 0.254884 Li\n0.513544 0.513544 0.000000 Li\n0.158535 0.158535 0.000000 Mn\n0.836441 0.836441 0.000000 Mn\n0.163560 0.163559 0.500000 Mn\n0.841467 0.841465 0.500000 Mn\n0.426404 0.935482 0.894753 O\n0.235876 0.779975 0.617757 O\n0.064518 0.573598 0.394753 O\n0.220025 0.764125 0.117757 O\n0.764126 0.220023 0.882244 O\n0.573599 0.064516 0.605248 O\n0.779976 0.235875 0.382244 O\n0.935483 0.426402 0.105248 O\n0.900097 0.420765 0.636078 F\n0.099906 0.579233 0.863922 F\n0.420766 0.900095 0.363922 F\n0.579235 0.099905 0.136078 F\n",
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{
"id": "jvasp-119194",
"created_at": "2022-09-04T14:38:36.397867Z",
"updated_at": "2022-09-04T14:38:36.397885Z",
"structure_string": "Cu4 Se4 S4\n1.0\n5.998945 -0.000000 0.000000\n0.000000 5.998945 0.000000\n0.000000 -0.000000 5.998945\nCu Se S\n4 4 4\ndirect\n0.512519 0.487480 0.987479 Cu\n0.487480 0.987479 0.512519 Cu\n0.987479 0.512519 0.487480 Cu\n0.012520 0.012520 0.012520 Cu\n0.889992 0.110007 0.610006 Se\n0.110007 0.610006 0.889992 Se\n0.610006 0.889992 0.110007 Se\n0.389993 0.389993 0.389993 Se\n0.104403 0.895596 0.395596 S\n0.895596 0.395596 0.104403 S\n0.395596 0.104403 0.895596 S\n0.604403 0.604403 0.604403 S\n",
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"volume": 215.88608003327573,
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{
"id": "jvasp-58374",
"created_at": "2022-09-04T14:37:19.605089Z",
"updated_at": "2022-09-04T14:37:19.605107Z",
"structure_string": "Pr5 Co2 B6\n1.0\n5.220463 0.007138 7.195583\n2.340463 4.666425 7.195583\n0.011548 0.007138 8.889855\nPr Co B\n5 2 6\ndirect\n0.583856 0.583856 0.583856 Pr\n0.416143 0.416143 0.416143 Pr\n0.748549 0.748550 0.748550 Pr\n0.251450 0.251450 0.251450 Pr\n0.000000 0.000000 0.000000 Pr\n0.877194 0.877194 0.877194 Co\n0.122805 0.122805 0.122805 Co\n0.832733 0.500000 0.167266 B\n0.500000 0.167266 0.832733 B\n0.167266 0.832733 0.500000 B\n0.167266 0.500000 0.832734 B\n0.500000 0.832733 0.167266 B\n0.832733 0.167266 0.500000 B\n",
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"density": 6.824805266407959,
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{
"id": "jvasp-51533",
"created_at": "2022-09-04T14:37:35.384346Z",
"updated_at": "2022-09-04T14:37:35.384378Z",
"structure_string": "Ba3 Mn1 Nb2 O9\n1.0\n2.937845 -5.088497 0.000000\n2.937845 5.088497 0.000000\n0.000000 -0.000000 7.220351\nBa Mn Nb O\n3 1 2 9\ndirect\n0.333332 0.666666 0.334203 Ba\n0.666666 0.333332 0.665797 Ba\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mn\n0.333332 0.666666 0.824113 Nb\n0.666666 0.333332 0.175887 Nb\n0.828148 0.656298 0.323748 O\n0.828149 0.171850 0.323748 O\n0.343700 0.171850 0.323748 O\n0.171850 0.828149 0.676252 O\n0.171850 0.343700 0.676252 O\n0.656298 0.828148 0.676252 O\n-0.000001 0.500000 0.000000 O\n0.500000 -0.000001 0.000000 O\n0.499999 0.499999 0.000000 O\n",
"nsites": 15,
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"formula_full": "Ba3 Mn1 Nb2 O9",
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"created_at": "2022-09-04T14:37:58.524887Z",
"updated_at": "2022-09-04T14:37:58.524909Z",
"structure_string": "Na1 Hf2 V1 F11\n1.0\n5.323908 0.012924 2.011940\n1.014261 5.226417 2.011940\n0.002975 0.002459 7.763497\nNa Hf V F\n1 2 1 11\ndirect\n0.000000 0.000000 0.000000 Na\n0.504056 0.504055 0.765712 Hf\n0.495945 0.495945 0.234288 Hf\n0.000000 0.000000 0.500000 V\n0.806988 0.220830 0.692155 F\n0.779170 0.193013 0.307845 F\n0.193013 0.779170 0.307845 F\n0.220831 0.806987 0.692155 F\n0.500001 0.500000 0.500000 F\n0.330314 0.669686 0.000000 F\n0.669686 0.330314 0.000000 F\n0.251169 0.251168 0.351508 F\n0.748832 0.748832 0.648492 F\n0.266249 0.266248 0.891119 F\n0.733752 0.733752 0.108881 F\n",
"nsites": 15,
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"density_atomic": 0.06948796264489314,
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"formula_full": "Na1 Hf2 V1 F11",
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"formula_anonymous": "ABC2D11",
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{
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"created_at": "2022-09-04T14:36:36.396584Z",
"updated_at": "2022-09-04T14:36:36.396612Z",
"structure_string": "Bi4 Te2\n1.0\n6.472808 -0.118768 -1.531703\n-4.071364 5.033423 -1.531703\n0.058033 0.118768 6.651315\nBi Te\n4 2\ndirect\n0.625000 0.375353 0.250354 Bi\n0.125000 0.374646 0.749647 Bi\n0.624646 0.874999 0.249647 Bi\n0.625354 0.375000 0.750355 Bi\n0.250000 0.750000 0.500001 Te\n0.000000 0.000000 0.000000 Te\n",
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"formula_full": "Bi4 Te2",
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"spacegroup": 141
},
{
"id": "jvasp-111608",
"created_at": "2022-09-04T14:38:41.753010Z",
"updated_at": "2022-09-04T14:38:41.753037Z",
"structure_string": "Y4 Ga4 Ni4\n1.0\n4.287784 -0.000000 0.000000\n-0.000000 6.884962 0.000000\n0.000000 0.000000 7.312103\nY Ga Ni\n4 4 4\ndirect\n0.250000 0.016494 0.800596 Y\n0.250000 0.516494 0.699404 Y\n0.749999 0.983505 0.199404 Y\n0.749999 0.483505 0.300596 Y\n0.250000 0.182102 0.419582 Ga\n0.250000 0.682102 0.080417 Ga\n0.749999 0.817898 0.580417 Ga\n0.749999 0.317898 0.919582 Ga\n0.250000 0.791782 0.408799 Ni\n0.250000 0.291782 0.091201 Ni\n0.749999 0.208218 0.591201 Ni\n0.749999 0.708217 0.908798 Ni\n",
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{
"id": "jvasp-94749",
"created_at": "2022-09-04T14:36:20.099034Z",
"updated_at": "2022-09-04T14:36:20.099047Z",
"structure_string": "Ba1 Mg6 Al1\n1.0\n6.689723 0.763047 0.000000\n-2.684044 6.174993 0.000000\n0.000000 0.000000 4.978525\nBa Mg Al\n1 6 1\ndirect\n0.382875 0.117126 0.749999 Ba\n0.099881 0.787805 0.250000 Mg\n0.712194 0.400119 0.250000 Mg\n0.631621 0.868379 0.250000 Mg\n0.290115 0.593189 0.749999 Mg\n0.906811 0.209886 0.749999 Mg\n0.807395 0.692605 0.749999 Mg\n0.169107 0.330893 0.250000 Al\n",
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{
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"created_at": "2022-09-04T14:35:58.475095Z",
"updated_at": "2022-09-04T14:35:58.475121Z",
"structure_string": "Ba4 Tc1 W1\n1.0\n-0.000000 4.761129 4.761129\n4.761129 0.000000 4.761129\n4.761129 4.761129 0.000000\nBa Tc W\n4 1 1\ndirect\n0.124840 0.625054 0.625054 Ba\n0.625054 0.625054 0.625054 Ba\n0.625054 0.124840 0.625054 Ba\n0.625054 0.625054 0.124840 Ba\n0.250000 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 W\n",
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"created_at": "2022-09-04T14:38:17.067283Z",
"updated_at": "2022-09-04T14:38:17.067300Z",
"structure_string": "Ce3 Th2 O9\n1.0\n3.915862 0.000444 -0.000680\n-0.000504 5.608558 -0.001439\n-1.955796 -2.802592 9.829348\nCe Th O\n3 2 9\ndirect\n0.396676 0.388232 0.792127 Ce\n0.000660 0.039354 0.000053 Ce\n0.604617 0.596163 0.207980 Ce\n0.198113 0.193160 0.394963 Th\n0.803192 0.798246 0.605141 Th\n0.912311 0.669995 0.823416 O\n0.302012 0.545198 0.602775 O\n0.299834 0.044681 0.598429 O\n0.088995 0.846647 0.176694 O\n0.699309 0.942488 0.397335 O\n0.898230 0.155532 0.795215 O\n0.701459 0.446310 0.401673 O\n0.103080 0.360384 0.204895 O\n0.500652 0.263041 0.000052 O\n",
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{
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"structure_string": "Ba4 Re1 Hg1\n1.0\n0.000000 4.760996 4.760996\n4.760996 -0.000000 4.760996\n4.760996 4.760996 -0.000000\nBa Re Hg\n4 1 1\ndirect\n0.122662 0.625780 0.625780 Ba\n0.625780 0.625780 0.625780 Ba\n0.625780 0.122662 0.625780 Ba\n0.625780 0.625780 0.122662 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Hg\n",
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