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{
"id": "jvasp-105945",
"created_at": "2022-09-04T14:36:12.328890Z",
"updated_at": "2022-09-04T14:36:12.328909Z",
"structure_string": "Co1 H6 Cl2\n1.0\n4.544675 0.033650 0.824196\n1.044167 4.423225 0.824196\n-0.052160 -0.041595 5.806331\nCo H Cl\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.092296 0.239631 0.773170 H\n0.907706 0.760369 0.226831 H\n0.760369 0.907705 0.226831 H\n0.239632 0.092295 0.773170 H\n0.515146 0.515145 0.557948 H\n0.484856 0.484855 0.442053 H\n0.800036 0.800035 0.777079 Cl\n0.199966 0.199965 0.222922 Cl\n",
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{
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"created_at": "2022-09-04T14:36:12.321303Z",
"updated_at": "2022-09-04T14:36:12.321337Z",
"structure_string": "Er6 Co2 Si6\n1.0\n4.086054 -0.000000 0.674642\n2.014727 5.174745 0.508726\n0.008188 -0.024594 12.661562\nEr Co Si\n6 2 6\ndirect\n0.747376 0.734088 0.771162 Er\n0.399963 0.280909 0.919166 Er\n0.600038 0.719091 0.080834 Er\n0.475516 0.669359 0.379610 Er\n0.252624 0.265912 0.228838 Er\n0.524484 0.330641 0.620390 Er\n0.752591 0.078406 0.416410 Co\n0.247409 0.921594 0.583590 Co\n0.051364 0.139025 0.758249 Si\n0.139637 0.265040 0.455687 Si\n0.860364 0.734960 0.544313 Si\n0.948636 0.860975 0.241751 Si\n0.882664 0.158844 0.075827 Si\n0.117336 0.841156 0.924173 Si\n",
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{
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"updated_at": "2022-09-04T14:36:12.352702Z",
"structure_string": "Li10 Fe2 O6 F2\n1.0\n-1.820950 -4.695181 -4.351729\n-1.820950 4.695181 -4.351729\n3.675426 0.000000 -2.915152\nLi Fe O F\n10 2 6 2\ndirect\n0.963516 0.546434 0.254484 Li\n0.467956 0.037878 0.743668 Li\n0.212121 0.782043 0.506333 Li\n0.268610 0.268610 0.241708 Li\n0.981390 0.981390 0.008292 Li\n0.037878 0.467956 0.743668 Li\n0.286483 0.703566 0.995517 Li\n0.546434 0.963516 0.254484 Li\n0.703566 0.286483 0.995517 Li\n0.782043 0.212121 0.506333 Li\n0.494361 0.494361 0.493532 Fe\n0.755639 0.755639 0.756469 Fe\n0.228107 0.525600 0.374222 O\n0.525600 0.228107 0.374222 O\n0.770561 0.479438 0.625001 O\n0.479438 0.770561 0.625001 O\n0.724399 0.021893 0.875779 O\n0.021893 0.724399 0.875779 O\n0.979400 0.270600 0.125000 F\n0.270600 0.979400 0.125000 F\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-91536",
"created_at": "2022-09-04T14:36:12.484165Z",
"updated_at": "2022-09-04T14:36:12.484180Z",
"structure_string": "Eu2 P6\n1.0\n0.060688 0.000000 5.233152\n-4.050468 3.582481 1.621798\n-4.050468 -3.582481 1.621798\nEu P\n2 6\ndirect\n0.654078 0.167758 0.167758 Eu\n0.345923 0.832242 0.832242 Eu\n0.198992 0.356729 0.914839 P\n0.198992 0.914839 0.356729 P\n0.801008 0.643271 0.085161 P\n0.801008 0.085161 0.643271 P\n0.220267 0.501365 0.501365 P\n0.779733 0.498635 0.498635 P\n",
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"elements": [
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{
"id": "jvasp-50357",
"created_at": "2022-09-04T14:36:12.531987Z",
"updated_at": "2022-09-04T14:36:12.532014Z",
"structure_string": "Rb4 Nb4 O12\n1.0\n4.885149 4.307932 -0.034854\n-4.885149 4.307932 0.034854\n-0.762156 0.000000 8.128979\nRb Nb O\n4 4 12\ndirect\n0.336721 0.663279 0.767268 Rb\n0.231489 0.231489 0.500000 Rb\n0.768510 0.768511 0.500000 Rb\n0.663279 0.336721 0.232732 Rb\n0.261603 0.738397 0.203073 Nb\n0.189328 0.189328 0.000000 Nb\n0.810672 0.810672 0.000000 Nb\n0.738396 0.261603 0.796927 Nb\n0.291405 0.045578 0.216325 O\n0.954421 0.708595 0.216325 O\n0.771694 0.548884 0.893772 O\n0.451116 0.228306 0.893772 O\n0.228306 0.451116 0.106229 O\n0.334439 0.665560 0.419012 O\n0.708594 0.954422 0.783675 O\n0.045578 0.291405 0.783675 O\n0.665560 0.334440 0.580988 O\n0.121851 0.878149 0.947007 O\n0.548884 0.771694 0.106229 O\n0.878148 0.121851 0.052993 O\n",
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"formula_full": "Rb4 Nb4 O12",
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{
"id": "jvasp-4216",
"created_at": "2022-09-04T14:36:12.655570Z",
"updated_at": "2022-09-04T14:36:12.655588Z",
"structure_string": "Si6 As6\n1.0\n3.723505 0.000000 -0.000000\n-1.861753 7.779609 -2.201287\n-0.000000 0.027090 9.645168\nSi As\n6 6\ndirect\n0.130997 0.261993 0.416119 Si\n0.869003 0.738007 0.583881 Si\n0.238245 0.476490 0.292054 Si\n0.761754 0.523510 0.707946 Si\n0.566574 0.133149 0.089259 Si\n0.433426 0.866851 0.910740 Si\n0.152585 0.305170 0.045092 As\n0.847414 0.694830 0.954908 As\n0.163169 0.326339 0.675285 As\n0.836830 0.673661 0.324715 As\n0.536307 0.072614 0.324448 As\n0.463693 0.927386 0.675552 As\n",
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"density_atomic": 0.04291575224508869,
"volume": 279.6176082728059,
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"formula_full": "Si6 As6",
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"spacegroup": 12
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{
"id": "jvasp-15703",
"created_at": "2022-09-04T14:36:12.993367Z",
"updated_at": "2022-09-04T14:36:12.993401Z",
"structure_string": "Ba2 Sb6\n1.0\n6.243836 -0.009850 1.969935\n1.681136 6.533786 1.626544\n-0.005526 0.007836 6.939895\nBa Sb\n2 6\ndirect\n0.178491 0.664729 0.664727 Ba\n0.821509 0.335273 0.335272 Ba\n0.295938 0.143896 0.579860 Sb\n0.704062 0.420141 0.856104 Sb\n0.270349 0.014812 0.014812 Sb\n0.729652 0.985189 0.985187 Sb\n0.295938 0.579860 0.143895 Sb\n0.704063 0.856106 0.420140 Sb\n",
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"density": 5.892982157210607,
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"volume": 283.25168357260947,
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"formula_full": "Ba2 Sb6",
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"spacegroup": 12
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{
"id": "jvasp-85410",
"created_at": "2022-09-04T14:36:13.300392Z",
"updated_at": "2022-09-04T14:36:13.300410Z",
"structure_string": "Cr2 W2 O8\n1.0\n4.718705 -0.019311 0.101796\n0.049786 4.873910 2.498022\n-0.033833 0.135251 5.475231\nCr W O\n2 2 8\ndirect\n0.502407 0.256701 0.256701 Cr\n0.497595 0.743299 0.743299 Cr\n0.000001 0.769953 0.230046 W\n0.000001 0.230046 0.769953 W\n0.203938 0.600847 0.600847 O\n0.796065 0.399153 0.399153 O\n0.776899 0.883556 0.883556 O\n0.223104 0.116444 0.116444 O\n0.701854 0.391665 0.902886 O\n0.298149 0.097114 0.608335 O\n0.298149 0.608335 0.097114 O\n0.701854 0.902886 0.391665 O\n",
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{
"id": "jvasp-98513",
"created_at": "2022-09-04T14:36:13.744359Z",
"updated_at": "2022-09-04T14:36:13.744369Z",
"structure_string": "Bi10 I2 O14\n1.0\n4.219992 -0.000000 0.000000\n-2.109996 8.979039 -2.522424\n0.000000 0.465937 13.120228\nBi I O\n10 2 14\ndirect\n0.206214 0.412428 0.368619 Bi\n0.724372 0.448745 0.870817 Bi\n0.121707 0.243416 0.597406 Bi\n0.878291 0.756585 0.402595 Bi\n0.466928 0.933859 0.633369 Bi\n0.275627 0.551255 0.129183 Bi\n0.386025 0.772051 0.876917 Bi\n0.613974 0.227949 0.123084 Bi\n0.793785 0.587572 0.631382 Bi\n0.533070 0.066141 0.366631 Bi\n0.059257 0.118514 0.869515 I\n0.940742 0.881487 0.130486 I\n0.925548 0.851099 0.584518 O\n0.308060 0.616121 0.296596 O\n0.691939 0.383879 0.703404 O\n0.226905 0.453811 0.559237 O\n0.773094 0.546189 0.440764 O\n0.074450 0.148901 0.415482 O\n0.838702 0.677406 0.838479 O\n0.725505 0.451011 0.094333 O\n0.632789 0.265578 0.295373 O\n0.367210 0.734422 0.704628 O\n0.161297 0.322594 0.161521 O\n0.580167 0.160336 0.533906 O\n0.274494 0.548990 0.905667 O\n0.419831 0.839665 0.466094 O\n",
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{
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"created_at": "2022-09-04T14:36:13.841982Z",
"updated_at": "2022-09-04T14:36:13.841997Z",
"structure_string": "V3 S4\n1.0\n3.152273 0.000000 -0.821157\n-0.636060 5.290413 -2.441717\n0.013041 0.023378 6.511140\nV S\n3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.258072 0.317971 0.516145 V\n0.741927 0.682029 0.483854 V\n0.359877 0.020048 0.719755 S\n0.640122 0.979952 0.280244 S\n0.890679 0.550408 0.781359 S\n0.109319 0.449592 0.218640 S\n",
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{
"id": "jvasp-48482",
"created_at": "2022-09-04T14:36:14.180538Z",
"updated_at": "2022-09-04T14:36:14.180563Z",
"structure_string": "Mn6 O8 F4\n1.0\n-4.787887 4.787887 3.008752\n-0.172985 4.550065 -2.913903\n-4.550065 0.172985 -2.913903\nMn O F\n6 8 4\ndirect\n0.838827 0.671085 0.671085 Mn\n0.666667 0.333333 0.333333 Mn\n0.318098 0.641877 0.641877 Mn\n0.166667 0.333333 0.333333 Mn\n0.494505 0.995580 0.995580 Mn\n0.015235 0.024789 0.024789 Mn\n0.014053 0.702709 0.313038 O\n0.014053 0.313038 0.702709 O\n0.666667 0.634155 0.032511 O\n0.319280 0.963955 0.353628 O\n0.953292 0.249774 0.249774 O\n0.319280 0.353628 0.963955 O\n0.666667 0.032511 0.634155 O\n0.380041 0.416892 0.416892 O\n0.692771 0.109225 0.109225 F\n0.314380 0.869984 0.869984 F\n0.640562 0.557442 0.557442 F\n0.018953 0.796680 0.796680 F\n",
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"formula_full": "Mn6 O8 F4",
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{
"id": "jvasp-86420",
"created_at": "2022-09-04T14:36:13.743033Z",
"updated_at": "2022-09-04T14:36:13.743056Z",
"structure_string": "Sc4 Fe2 Si4\n1.0\n3.872834 -0.000000 0.929309\n1.871506 4.932224 0.735167\n-0.000227 -0.049041 8.535493\nSc Fe Si\n4 2 4\ndirect\n0.814749 0.263021 0.107480 Sc\n0.000812 0.670365 0.328013 Sc\n0.185251 0.736978 0.892521 Sc\n0.999188 0.329635 0.671987 Sc\n0.728601 0.915871 0.626925 Fe\n0.271398 0.084129 0.373075 Fe\n0.491513 0.142857 0.874115 Si\n0.352500 0.728757 0.566242 Si\n0.508486 0.857143 0.125885 Si\n0.647499 0.271243 0.433758 Si\n",
"nsites": 10,
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"formula_full": "Sc4 Fe2 Si4",
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}
]
}