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"structure_string": "Na2 V2 Ge4 O12\n1.0\n5.341530 -0.052430 1.112310\n1.195681 6.550593 0.866028\n-0.086467 -0.000926 6.714347\nNa V Ge O\n2 2 4 12\ndirect\n0.750000 0.809156 0.190844 Na\n0.250000 0.190843 0.809157 Na\n0.250000 0.590434 0.409566 V\n0.750000 0.409565 0.590435 V\n0.724322 0.309070 0.113113 Ge\n0.224322 0.113112 0.309070 Ge\n0.275678 0.690929 0.886888 Ge\n0.775678 0.886886 0.690931 Ge\n0.371761 0.522252 0.690992 O\n0.168437 0.594008 0.136837 O\n0.668437 0.136836 0.594008 O\n0.331563 0.863162 0.405993 O\n-0.023940 0.106792 0.171300 O\n0.523940 0.828700 0.893209 O\n0.476060 0.171299 0.106792 O\n0.831563 0.405991 0.863164 O\n0.128239 0.309008 0.477747 O\n0.871761 0.690991 0.522254 O\n0.023940 0.893207 0.828701 O\n0.628239 0.477747 0.309009 O\n",
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"structure_string": "Li2 Co2 Si4 O12\n1.0\n-5.140398 0.036958 0.016420\n-0.036515 -5.140423 0.017315\n2.461525 2.428307 9.665674\nLi Co Si O\n2 2 4 12\ndirect\n0.111163 0.142439 0.331516 Li\n0.892440 0.361159 0.831517 Li\n0.716996 0.228152 0.505910 Co\n0.978152 0.966995 0.005910 Co\n0.398936 0.016537 0.833551 Si\n0.299927 0.430034 0.661466 Si\n0.180035 0.549922 0.161465 Si\n0.766539 0.648936 0.333550 Si\n0.800658 0.348504 0.361259 O\n0.763570 0.868382 0.475753 O\n0.494976 0.656597 0.213106 O\n0.406602 0.744972 0.713108 O\n0.359451 0.298124 0.510172 O\n0.048126 0.609450 0.010172 O\n0.618379 0.013569 0.975754 O\n0.144627 0.234581 0.163013 O\n0.984585 0.394627 0.663013 O\n0.098503 0.050654 0.861258 O\n0.483107 0.274851 0.775540 O\n0.024856 0.733108 0.275540 O\n",
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{
"id": "jvasp-59141",
"created_at": "2022-09-04T14:38:17.131052Z",
"updated_at": "2022-09-04T14:38:17.131076Z",
"structure_string": "Ho4 Sc4 O12\n1.0\n5.416119 0.000000 0.000000\n0.000000 5.728096 0.000000\n0.000000 0.000000 7.919764\nHo Sc O\n4 4 12\ndirect\n0.020424 0.935412 0.250000 Ho\n0.520424 0.564589 0.750000 Ho\n0.479576 0.435412 0.250000 Ho\n0.979576 0.064588 0.750000 Ho\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.810792 0.807326 0.931275 O\n0.310792 0.692675 0.068725 O\n0.310792 0.692675 0.431275 O\n0.810792 0.807326 0.568724 O\n0.189208 0.192675 0.068725 O\n0.367711 0.942277 0.750000 O\n0.132290 0.442277 0.750000 O\n0.632290 0.057723 0.250000 O\n0.189208 0.192675 0.431275 O\n0.867711 0.557724 0.250000 O\n0.689208 0.307325 0.931275 O\n0.689208 0.307325 0.568724 O\n",
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"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
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{
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"created_at": "2022-09-04T14:38:16.794094Z",
"updated_at": "2022-09-04T14:38:16.794116Z",
"structure_string": "V2 Ag4 P2 O12\n1.0\n5.643827 0.000000 -2.828046\n-0.025991 6.343741 -0.051869\n-0.045918 -0.044641 6.953976\nV Ag P O\n2 4 2 12\ndirect\n0.616344 0.087519 0.232688 V\n0.383656 0.912481 0.767312 V\n0.362609 0.615118 0.231724 Ag\n0.869116 0.615118 0.231724 Ag\n0.637391 0.384882 0.768276 Ag\n0.130885 0.384882 0.768276 Ag\n0.847445 0.850529 0.694889 P\n0.152555 0.149471 0.305111 P\n0.492248 0.207515 0.984497 O\n0.704126 0.286878 0.408252 O\n0.903276 0.635368 0.806553 O\n0.919966 0.020539 0.235587 O\n0.277611 0.177561 0.555222 O\n0.096725 0.364632 0.193447 O\n0.295874 0.713122 0.591748 O\n0.315623 0.020539 0.235587 O\n0.080035 0.979461 0.764413 O\n0.507752 0.792485 0.015503 O\n0.684378 0.979461 0.764413 O\n0.722389 0.822440 0.444778 O\n",
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{
"id": "jvasp-112361",
"created_at": "2022-09-04T14:38:27.315398Z",
"updated_at": "2022-09-04T14:38:27.315420Z",
"structure_string": "La1 Pr3 Co8 P8\n1.0\n3.799988 -0.000000 0.000000\n0.000000 3.799988 0.000000\n-0.000000 -0.000000 21.880685\nLa Pr Co P\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.251653 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.748347 Pr\n-0.000000 0.500000 0.872479 Co\n0.500000 0.000000 0.624157 Co\n0.500000 0.000000 0.127521 Co\n-0.000000 0.500000 0.375842 Co\n-0.000000 0.500000 0.624157 Co\n0.500000 0.000000 0.375842 Co\n-0.000000 0.500000 0.127521 Co\n0.500000 0.000000 0.872479 Co\n0.000000 0.000000 0.676882 P\n0.500000 0.500000 0.074843 P\n0.000000 0.000000 0.323118 P\n0.500000 0.500000 0.571412 P\n0.000000 0.000000 0.819595 P\n0.000000 0.000000 0.180404 P\n0.500000 0.500000 0.428588 P\n0.500000 0.500000 0.925157 P\n",
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{
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"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
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{
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"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
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"updated_at": "2022-09-04T14:38:55.251916Z",
"structure_string": "K2 V4 Ag2 O12\n1.0\n7.194879 -0.019692 1.279032\n0.327103 7.187467 1.279032\n-0.022040 -0.021002 5.829335\nK V Ag O\n2 4 2 12\ndirect\n0.802005 0.197996 0.749999 K\n0.197995 0.802005 0.250000 K\n0.297071 0.123336 0.727131 V\n0.702928 0.876665 0.272867 V\n0.876664 0.702929 0.772867 V\n0.123336 0.297072 0.227132 V\n0.404272 0.595729 0.749999 Ag\n0.595728 0.404272 0.249999 Ag\n0.602375 0.087511 0.207615 O\n0.397624 0.912490 0.792384 O\n0.286379 0.456950 0.157609 O\n0.713621 0.543051 0.842390 O\n0.543050 0.713622 0.342390 O\n0.167046 0.132993 0.485946 O\n0.867007 0.832955 0.014053 O\n0.132993 0.167046 0.985946 O\n0.087511 0.602376 0.707614 O\n0.832954 0.867008 0.514052 O\n0.456949 0.286379 0.657608 O\n0.912489 0.397625 0.292384 O\n",
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{
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"created_at": "2022-09-04T14:38:45.631582Z",
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"structure_string": "Ca10 Cd2 N8\n1.0\n8.087126 -0.000000 0.000000\n0.000000 7.551430 0.000000\n-0.000000 -0.000000 5.897020\nCa Cd N\n10 2 8\ndirect\n0.550737 0.502985 0.246314 Ca\n0.750000 0.750000 0.711852 Ca\n0.050737 0.002985 0.753686 Ca\n0.449264 0.002985 0.753686 Ca\n0.050737 0.497015 0.753686 Ca\n0.250000 0.250000 0.288148 Ca\n0.949264 0.997015 0.246314 Ca\n0.550737 0.997015 0.246314 Ca\n0.949264 0.502985 0.246314 Ca\n0.449264 0.497015 0.753686 Ca\n0.750000 0.250000 0.711526 Cd\n0.250000 0.750000 0.288474 Cd\n0.496123 0.250000 0.500097 N\n0.750000 0.998833 0.945056 N\n0.750000 0.501167 0.945056 N\n0.250000 0.001167 0.054944 N\n0.250000 0.498833 0.054944 N\n0.503877 0.750000 0.499903 N\n0.996123 0.750000 0.499903 N\n0.003877 0.250000 0.500097 N\n",
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"created_at": "2022-09-04T14:38:43.041342Z",
"updated_at": "2022-09-04T14:38:43.041367Z",
"structure_string": "Na2 La2 Sc2 Nb2 O12\n1.0\n5.675018 -0.005735 0.017210\n-0.070645 5.674581 0.017210\n-0.014149 -0.014311 8.066239\nNa La Sc Nb O\n2 2 2 2 12\ndirect\n0.746940 0.253061 0.000000 Na\n0.253061 0.746939 0.000000 Na\n0.745760 0.254242 0.500000 La\n0.254241 0.745759 0.500000 La\n0.751789 0.751789 0.245465 Sc\n0.248212 0.248212 0.754535 Sc\n0.749118 0.749118 0.764808 Nb\n0.250883 0.250883 0.235192 Nb\n0.314801 0.314801 0.498744 O\n0.685200 0.685199 0.501257 O\n0.995111 0.995111 0.681090 O\n0.004890 0.004890 0.318911 O\n0.188206 0.188206 0.006409 O\n0.004035 0.492999 0.277688 O\n0.995966 0.507001 0.722312 O\n0.507001 0.995966 0.722312 O\n0.493700 0.493700 0.198132 O\n0.493000 0.004035 0.277688 O\n0.811795 0.811795 0.993591 O\n0.506301 0.506301 0.801868 O\n",
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"formula_full": "Na2 La2 Sc2 Nb2 O12",
"formula_reduced": "NaLaScNbO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.518603965,
"spacegroup": 12
}
]
}