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{
"id": "jvasp-14667",
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{
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{
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{
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"structure_string": "Na2 C1 N2\n1.0\n3.428819 0.009686 0.841715\n-0.173511 3.424440 0.841715\n-0.030449 -0.032122 5.495181\nNa C N\n2 1 2\ndirect\n0.322881 0.322882 0.309138 Na\n0.677119 0.677120 0.690860 Na\n0.000000 0.000000 0.000000 C\n0.160778 0.160779 0.773861 N\n0.839222 0.839223 0.226137 N\n",
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"spacegroup": 12
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{
"id": "jvasp-15531",
"created_at": "2022-09-04T14:35:45.521995Z",
"updated_at": "2022-09-04T14:35:45.522014Z",
"structure_string": "Ca1 As2 Pd2\n1.0\n4.053550 -0.000000 -1.583465\n-0.618559 4.006077 -1.583465\n0.003332 0.003886 5.988654\nCa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.378817 0.378819 0.757635 As\n0.621182 0.621183 0.242363 As\n0.250000 0.750001 0.499999 Pd\n0.750000 0.250001 0.499999 Pd\n",
"nsites": 5,
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"formula_full": "Ca1 As2 Pd2",
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{
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"created_at": "2022-09-04T14:35:45.521889Z",
"updated_at": "2022-09-04T14:35:45.521920Z",
"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
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{
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"created_at": "2022-09-04T14:35:45.511911Z",
"updated_at": "2022-09-04T14:35:45.511936Z",
"structure_string": "Mg6 B6 Ir6\n1.0\n5.298401 0.000000 0.000000\n-2.649201 4.588550 -0.000000\n0.000000 -0.000000 9.514566\nMg B Ir\n6 6 6\ndirect\n0.000000 0.500000 0.666667 Mg\n0.000000 0.000000 0.833333 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.166667 Mg\n0.500000 0.500000 0.333333 Mg\n0.500000 -0.000000 0.000000 Mg\n0.397711 0.795422 0.500000 B\n0.397711 0.602289 0.833333 B\n0.795422 0.397711 0.166667 B\n0.602289 0.397711 0.833333 B\n0.602289 0.204578 0.500000 B\n0.204578 0.602289 0.166667 B\n0.500000 0.500000 0.045537 Ir\n0.500000 -0.000000 0.712204 Ir\n0.500000 0.500000 0.621129 Ir\n0.500000 -0.000000 0.287796 Ir\n0.000000 0.500000 0.378871 Ir\n0.000000 0.500000 0.954464 Ir\n",
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{
"id": "jvasp-74576",
"created_at": "2022-09-04T14:35:45.511842Z",
"updated_at": "2022-09-04T14:35:45.511876Z",
"structure_string": "Sr1 Be1 Mo4\n1.0\n-0.000000 3.821327 3.821327\n3.821327 0.000000 3.821327\n3.821327 3.821327 -0.000000\nSr Be Mo\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.625364 0.123911 0.625364 Mo\n0.123911 0.625364 0.625364 Mo\n0.625364 0.625364 0.625364 Mo\n0.625364 0.625364 0.123911 Mo\n",
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{
"id": "jvasp-69666",
"created_at": "2022-09-04T14:35:45.511034Z",
"updated_at": "2022-09-04T14:35:45.511052Z",
"structure_string": "Na1 Be2 Fe1\n1.0\n-1.812821 1.812821 3.706268\n1.812821 -1.812821 3.706268\n1.812821 1.812821 -3.706268\nNa Be Fe\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Fe\n",
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{
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"updated_at": "2022-09-04T14:35:45.510774Z",
"structure_string": "Fe8 O14 F2\n1.0\n5.224155 0.007720 -0.035008\n1.535105 4.984751 -0.039975\n0.555257 0.406012 8.374707\nFe O F\n8 14 2\ndirect\n0.111283 0.128381 0.383549 Fe\n0.373071 0.390858 0.118322 Fe\n0.493014 0.500636 0.497486 Fe\n0.260798 0.261690 0.751345 Fe\n0.773985 0.723718 0.248132 Fe\n0.628178 0.629602 0.876204 Fe\n0.860131 0.861564 0.614748 Fe\n-0.001313 0.007206 0.011669 Fe\n0.697473 0.306645 0.998097 O\n0.945086 0.553403 0.747850 O\n0.301459 0.703604 0.999408 O\n0.799684 0.196311 0.504040 O\n0.552526 0.948134 0.748946 O\n0.973364 0.971701 0.227403 O\n0.718738 0.718144 0.467976 O\n0.531296 0.524060 0.274444 O\n0.472541 0.478558 0.721819 O\n0.781845 0.776896 0.029496 O\n0.276288 0.275994 0.527890 O\n0.188298 0.802465 0.501748 O\n0.064691 0.436754 0.250632 O\n0.224441 0.228717 0.972247 O\n0.449082 0.050297 0.249648 F\n0.024032 0.024654 0.776891 F\n",
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{
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"structure_string": "Mn2 H8 C4 O12\n1.0\n5.364629 0.000146 1.940825\n2.618321 5.667154 1.147761\n0.042008 0.012767 8.268410\nMn H C O\n2 8 4 12\ndirect\n0.938542 0.249995 0.750003 Mn\n0.061460 0.750004 0.249996 Mn\n0.010817 0.798915 0.856674 H\n0.666417 0.701078 0.643317 H\n0.156220 0.802048 0.649566 H\n0.333583 0.298922 0.356682 H\n0.843779 0.197953 0.350433 H\n0.392174 0.302047 0.149571 H\n0.989184 0.201086 0.143326 H\n0.607825 0.697954 0.850427 H\n0.511655 0.751933 0.350171 C\n0.386242 0.251928 0.850174 C\n0.488347 0.248070 0.649829 C\n0.613756 0.748073 0.149825 C\n0.671288 0.755789 0.423170 O\n0.328711 0.244213 0.576830 O\n0.277353 0.750868 0.425101 O\n0.149755 0.255786 0.923176 O\n0.722648 0.249133 0.574898 O\n0.850247 0.744217 0.076823 O\n0.250546 0.364821 0.260828 O\n0.876187 0.135194 0.239171 O\n0.123813 0.864805 0.760829 O\n0.546684 0.250863 0.925102 O\n0.453317 0.749139 0.074898 O\n0.749453 0.635179 0.739170 O\n",
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