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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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{
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"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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{
"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",
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"volume": 243.00500175760428,
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"formula_full": "Pr4 Cd2 Pd4",
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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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"elements": [
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"volume": 243.0087491796819,
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{
"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",
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"formula_full": "Dy2 Ho6",
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"spacegroup": 194
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{
"id": "jvasp-33823",
"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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],
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"formula_full": "Lu2 Cl6",
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"spacegroup": 194
},
{
"id": "jvasp-55692",
"created_at": "2022-09-04T14:38:10.412568Z",
"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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"elements": [
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],
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"formula_full": "K4 Li2 Al2 H12",
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"formula_anonymous": "ABC2D6",
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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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{
"id": "jvasp-64059",
"created_at": "2022-09-04T14:35:58.794348Z",
"updated_at": "2022-09-04T14:35:58.794367Z",
"structure_string": "Ba4 Ta1 Bi1\n1.0\n-0.000000 4.953194 4.953194\n4.953194 0.000000 4.953194\n4.953194 4.953194 -0.000000\nBa Ta Bi\n4 1 1\ndirect\n0.125674 0.624775 0.624775 Ba\n0.624775 0.624775 0.624775 Ba\n0.624775 0.125674 0.624775 Ba\n0.624775 0.624775 0.125674 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Bi\n",
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{
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"structure_string": "Zn12 O12\n1.0\n1.520599 -2.633754 0.000000\n1.520599 2.633754 -0.000000\n-0.000000 0.000000 30.343548\nZn O\n12 12\ndirect\n0.333334 0.666667 0.834772 Zn\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.750000 Zn\n0.000000 0.000000 0.250000 Zn\n0.333334 0.666667 0.082603 Zn\n0.666667 0.333334 0.917397 Zn\n0.000000 0.000000 0.500000 Zn\n0.333334 0.666667 0.417397 Zn\n0.333334 0.666667 0.665228 Zn\n0.666667 0.333334 0.334772 Zn\n0.666667 0.333334 0.165228 Zn\n0.666667 0.333334 0.582603 Zn\n0.000000 0.000000 0.876108 O\n0.000000 0.000000 0.123892 O\n0.333334 0.666667 0.293740 O\n0.666667 0.333334 0.706260 O\n0.666667 0.333334 0.793740 O\n0.333334 0.666667 0.541298 O\n0.666667 0.333334 0.458702 O\n0.666667 0.333334 0.041298 O\n0.333334 0.666667 0.958702 O\n0.000000 0.000000 0.623892 O\n0.333334 0.666667 0.206260 O\n0.000000 0.000000 0.376108 O\n",
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{
"id": "jvasp-3639",
"created_at": "2022-09-04T14:36:04.409162Z",
"updated_at": "2022-09-04T14:36:04.409189Z",
"structure_string": "Pr2 Br6\n1.0\n3.966994 -6.871035 0.000000\n3.966994 6.871035 0.000000\n0.000000 0.000000 4.458346\nPr Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Pr\n0.666666 0.333333 0.250000 Pr\n0.914471 0.616768 0.750001 Br\n0.297703 0.914471 0.250000 Br\n0.085529 0.383231 0.250000 Br\n0.702296 0.085528 0.750001 Br\n0.383231 0.297703 0.750001 Br\n0.616768 0.702296 0.250000 Br\n",
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{
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"structure_string": "Ca2 Cu1 B2 H12 O12\n1.0\n-5.666363 -0.029947 0.002197\n-0.048046 -5.675248 0.053410\n2.687787 0.930102 7.548789\nCa Cu B H O\n2 1 2 12 12\ndirect\n0.777064 0.502947 0.760496 Ca\n0.222936 0.497054 0.239504 Ca\n0.000000 0.000000 0.000000 Cu\n0.249112 0.280522 0.590742 B\n0.750888 0.719480 0.409259 B\n0.517240 0.011753 0.386642 H\n0.957762 0.959068 0.631484 H\n0.792620 0.775178 0.170836 H\n0.308638 0.707553 0.956998 H\n0.190138 0.639247 0.619436 H\n0.556472 0.941055 0.894184 H\n0.691361 0.292449 0.043003 H\n0.207380 0.224824 0.829165 H\n0.443528 0.058946 0.105817 H\n0.042238 0.040933 0.368516 H\n0.482759 -0.011752 0.613359 H\n0.809862 0.360754 0.380564 H\n0.901839 0.789076 0.596547 O\n0.678898 0.823318 0.946191 O\n0.149456 0.691154 0.978467 O\n0.324055 0.532897 0.604462 O\n0.675945 0.467105 0.395538 O\n0.098161 0.210925 0.403454 O\n0.321102 0.176684 0.053810 O\n0.096817 0.239809 0.704561 O\n0.489946 0.158538 0.649434 O\n0.903183 0.760192 0.295439 O\n0.850544 0.308847 0.021535 O\n0.510054 0.841464 0.350567 O\n",
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]
}