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{
"id": "jvasp-49603",
"created_at": "2022-09-04T14:37:28.173052Z",
"updated_at": "2022-09-04T14:37:28.173080Z",
"structure_string": "Mg4 Sb4 O12\n1.0\n0.000000 5.531004 0.003146\n7.923919 0.000000 0.000000\n0.000000 -0.178371 -5.545478\nMg Sb O\n4 4 12\ndirect\n0.511293 0.250000 0.532725 Mg\n0.488706 0.750000 0.467274 Mg\n0.977841 0.250000 0.025066 Mg\n0.022158 0.750000 0.974933 Mg\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.311289 0.429133 0.353714 O\n0.639811 0.250000 0.880781 O\n0.688711 0.929134 0.646286 O\n0.139010 0.750000 0.600657 O\n0.136401 0.069135 0.819576 O\n0.863599 0.930865 0.180424 O\n0.136401 0.430865 0.819576 O\n0.311289 0.070867 0.353714 O\n0.860990 0.250000 0.399342 O\n0.688711 0.570867 0.646286 O\n0.863599 0.569135 0.180424 O\n0.360189 0.750000 0.119219 O\n",
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{
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"updated_at": "2022-09-04T14:38:10.412606Z",
"structure_string": "K4 Li2 Al2 H12\n1.0\n5.330199 0.000944 7.991785\n2.421303 4.748507 7.991785\n0.001541 0.000944 9.606230\nK Li Al H\n4 2 2 12\ndirect\n0.714264 0.714263 0.714264 K\n0.872789 0.872789 0.872789 K\n0.127211 0.127210 0.127211 K\n0.285736 0.285736 0.285736 K\n0.592941 0.592940 0.592941 Li\n0.407059 0.407059 0.407059 Li\n0.500000 0.499999 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.830823 0.393727 0.393727 H\n0.169177 0.606272 0.606272 H\n0.189779 0.189778 0.732799 H\n0.393727 0.830822 0.393727 H\n0.393728 0.393727 0.830822 H\n0.810222 0.267200 0.810222 H\n0.810221 0.810221 0.267201 H\n0.267201 0.810221 0.810222 H\n0.732799 0.189778 0.189778 H\n0.189778 0.732799 0.189778 H\n0.606273 0.169177 0.606273 H\n0.606272 0.606272 0.169177 H\n",
"nsites": 20,
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{
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"created_at": "2022-09-04T14:38:03.095073Z",
"updated_at": "2022-09-04T14:38:03.095098Z",
"structure_string": "Lu2 Cl6\n1.0\n8.964866 0.000000 -0.000000\n-4.482434 7.763803 -0.000000\n-0.000000 0.000000 3.491811\nLu Cl\n2 6\ndirect\n0.666668 0.333334 0.249999 Lu\n0.333334 0.666667 0.750000 Lu\n0.790939 0.209062 0.750000 Cl\n0.418127 0.209062 0.750000 Cl\n0.790939 0.581874 0.750000 Cl\n0.209063 0.790938 0.249999 Cl\n0.581876 0.790938 0.249999 Cl\n0.209064 0.418128 0.249999 Cl\n",
"nsites": 8,
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"spacegroup": 194
},
{
"id": "jvasp-100162",
"created_at": "2022-09-04T14:36:17.970133Z",
"updated_at": "2022-09-04T14:36:17.970157Z",
"structure_string": "Dy2 Ho6\n1.0\n7.105720 -0.000000 0.000000\n-3.552860 6.153735 -0.000000\n-0.000000 0.000000 5.557902\nDy Ho\n2 6\ndirect\n0.333333 0.666666 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n0.166523 0.333047 0.250000 Ho\n0.666953 0.833476 0.250000 Ho\n0.166523 0.833476 0.250000 Ho\n0.833476 0.666953 0.750000 Ho\n0.333047 0.166523 0.750000 Ho\n0.833476 0.166523 0.750000 Ho\n",
"nsites": 8,
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{
"id": "jvasp-10486",
"created_at": "2022-09-04T14:36:36.924750Z",
"updated_at": "2022-09-04T14:36:36.924775Z",
"structure_string": "K6 Al2 O6\n1.0\n6.421075 -0.006231 -0.751407\n-1.086341 5.798539 -2.767595\n-0.005524 0.024568 6.516298\nK Al O\n6 2 6\ndirect\n0.647255 0.371157 0.371156 K\n0.352746 0.628844 0.628843 K\n0.500000 0.194906 0.805095 K\n0.500000 0.805095 0.194905 K\n0.000001 0.267129 0.732871 K\n0.000000 0.732871 0.267129 K\n0.854295 0.836653 0.836652 Al\n0.145705 0.163348 0.163347 Al\n0.737163 0.848413 0.583607 O\n0.262837 0.416393 0.151588 O\n0.262837 0.151588 0.416393 O\n0.737163 0.583608 0.848412 O\n0.146738 0.900570 0.900569 O\n0.853262 0.099431 0.099430 O\n",
"nsites": 14,
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"density_atomic": 0.057611094445197644,
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{
"id": "jvasp-21845",
"created_at": "2022-09-04T14:37:36.722949Z",
"updated_at": "2022-09-04T14:37:36.722973Z",
"structure_string": "Pr4 Cd2 Pd4\n1.0\n7.855883 0.000000 -0.000000\n0.000000 7.855883 -0.000000\n-0.000000 0.000000 3.937542\nPr Cd Pd\n4 2 4\ndirect\n0.325605 0.825605 0.500000 Pr\n0.825605 0.674395 0.500000 Pr\n0.174395 0.325605 0.500000 Pr\n0.674395 0.174395 0.500000 Pr\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.373085 0.126914 0.000000 Pd\n0.873085 0.373085 0.000000 Pd\n0.126914 0.626914 0.000000 Pd\n0.626914 0.873085 0.000000 Pd\n",
"nsites": 10,
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"density": 8.296597188331502,
"density_atomic": 0.04115141633987817,
"volume": 243.00500175760428,
"volume_molar": 14.634103259683402,
"formula_full": "Pr4 Cd2 Pd4",
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"spacegroup": 127
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{
"id": "jvasp-105941",
"created_at": "2022-09-04T14:36:00.742246Z",
"updated_at": "2022-09-04T14:36:00.742262Z",
"structure_string": "Rb2 Tc1 Cl6\n1.0\n6.065998 0.000000 3.502206\n2.021999 5.719078 3.502206\n0.000000 -0.000000 7.004411\nRb Tc Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Tc\n0.760590 0.239410 0.239410 Cl\n0.239410 0.760590 0.760590 Cl\n0.239410 0.760590 0.239410 Cl\n0.760590 0.239410 0.760590 Cl\n0.239410 0.239410 0.760590 Cl\n0.760590 0.760590 0.239411 Cl\n",
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"volume": 242.99643600910412,
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"formula_full": "Rb2 Tc1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-85844",
"created_at": "2022-09-04T14:36:06.407163Z",
"updated_at": "2022-09-04T14:36:06.407198Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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{
"id": "jvasp-86343",
"created_at": "2022-09-04T14:35:51.062641Z",
"updated_at": "2022-09-04T14:35:51.062656Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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{
"id": "jvasp-21875",
"created_at": "2022-09-04T14:37:32.642105Z",
"updated_at": "2022-09-04T14:37:32.642134Z",
"structure_string": "Er4 B16 Rh4\n1.0\n3.564071 0.000000 0.000000\n0.000000 5.929083 -0.000000\n0.000000 0.000000 11.497925\nEr B Rh\n4 16 4\ndirect\n0.000000 0.131324 0.648745 Er\n0.000000 0.868676 0.351254 Er\n0.000000 0.631324 0.851254 Er\n0.000000 0.368676 0.148745 Er\n0.500000 0.387409 0.547107 B\n0.500000 0.612590 0.452893 B\n0.500000 0.887409 0.952892 B\n0.500000 0.112591 0.047107 B\n0.500000 0.477085 0.692897 B\n0.500000 0.522915 0.307103 B\n0.500000 0.977084 0.807103 B\n0.500000 0.022915 0.192897 B\n0.500000 0.635595 0.030365 B\n0.500000 0.364405 0.969634 B\n0.500000 0.135595 0.469635 B\n0.500000 0.864405 0.530365 B\n0.500000 0.708514 0.187230 B\n0.500000 0.291485 0.812769 B\n0.500000 0.208515 0.312770 B\n0.500000 0.791485 0.687230 B\n0.000000 0.643018 0.595300 Rh\n0.000000 0.356982 0.404700 Rh\n0.000000 0.143018 0.904700 Rh\n0.000000 0.856982 0.095300 Rh\n",
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{
"id": "jvasp-117435",
"created_at": "2022-09-04T14:38:27.441964Z",
"updated_at": "2022-09-04T14:38:27.441983Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n4.440173 -0.025613 -0.000049\n-0.166395 11.446259 -0.000070\n0.000068 0.000031 4.780455\nLi V O F\n4 4 4 12\ndirect\n0.010869 0.055372 0.253292 Li\n0.989128 0.944628 0.746709 Li\n0.510870 0.555373 0.246707 Li\n0.489130 0.444628 0.753289 Li\n0.030352 0.684843 0.724265 V\n0.969648 0.315156 0.275735 V\n0.469645 0.815156 0.224266 V\n0.530352 0.184843 0.775736 V\n0.740743 0.298325 0.565503 O\n0.759256 0.201675 0.065503 O\n0.240743 0.798325 0.934495 O\n0.259254 0.701675 0.434495 O\n0.747090 0.931536 0.092202 F\n0.237905 0.193529 0.428113 F\n0.252908 0.068464 0.907798 F\n0.259432 0.933128 0.413002 F\n0.240565 0.566871 0.913001 F\n0.247091 0.431536 0.407797 F\n0.262097 0.306471 0.928112 F\n0.737903 0.693529 0.071888 F\n0.759433 0.433129 0.086995 F\n0.752907 0.568464 0.592199 F\n0.740566 0.066871 0.586997 F\n0.762094 0.806472 0.571887 F\n",
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{
"id": "jvasp-35115",
"created_at": "2022-09-04T14:37:42.420922Z",
"updated_at": "2022-09-04T14:37:42.420942Z",
"structure_string": "Ba2 Mg1 B6 O12\n1.0\n3.562082 2.056467 5.527140\n-3.562000 2.056470 5.527084\n0.000044 -4.113222 5.527218\nBa Mg B O\n2 1 6 12\ndirect\n0.212853 0.212854 0.212851 Ba\n0.787147 0.787147 0.787147 Ba\n0.000000 0.000000 0.000000 Mg\n0.363369 0.644964 0.756828 B\n0.644963 0.756830 0.363368 B\n0.756828 0.363371 0.644963 B\n0.636631 0.355037 0.243171 B\n0.355036 0.243171 0.636631 B\n0.243171 0.636630 0.355036 B\n0.464647 0.572827 0.196407 O\n0.803591 0.535353 0.427173 O\n0.427171 0.803592 0.535350 O\n0.535353 0.427174 0.803592 O\n0.312082 0.084251 0.841886 O\n0.158115 0.687915 0.915749 O\n0.084250 0.841886 0.312082 O\n0.687917 0.915750 0.158113 O\n0.572828 0.196409 0.464649 O\n0.915750 0.158115 0.687917 O\n0.841885 0.312086 0.084250 O\n0.196409 0.464648 0.572826 O\n",
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]
}