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{
"id": "jvasp-9720",
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"updated_at": "2022-09-04T14:37:17.774127Z",
"structure_string": "Al10 C6 N2\n1.0\n1.673104 -2.897900 0.000000\n1.673104 2.897900 -0.000000\n0.000000 -0.000000 21.012059\nAl C N\n10 6 2\ndirect\n0.333332 0.666666 0.248759 Al\n0.000000 0.000000 0.152501 Al\n0.333332 0.666666 0.046519 Al\n0.666666 0.333332 0.546519 Al\n0.333332 0.666666 0.450992 Al\n0.000000 0.000000 0.652501 Al\n0.000000 0.000000 0.345008 Al\n0.000000 0.000000 0.845008 Al\n0.666666 0.333332 0.748759 Al\n0.666666 0.333332 0.950992 Al\n0.333332 0.666666 0.138577 C\n0.666666 0.333332 0.638577 C\n0.666666 0.333332 0.858933 C\n0.333332 0.666666 0.358933 C\n0.000000 0.000000 0.498756 C\n0.000000 0.000000 0.998756 C\n0.000000 0.000000 0.248756 N\n0.000000 0.000000 0.748756 N\n",
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{
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{
"id": "jvasp-86885",
"created_at": "2022-09-04T14:36:08.841877Z",
"updated_at": "2022-09-04T14:36:08.841904Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308165 -0.000000 -0.000000\n-1.654082 2.864954 0.000000\n0.000000 -0.000000 21.876286\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159119 Al\n0.000000 0.000000 0.847609 Al\n0.666668 0.333332 0.952872 Al\n0.000000 0.000000 0.659119 Al\n0.000000 0.000000 0.347609 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452872 Al\n0.666668 0.333332 0.762570 Al\n0.666668 0.333332 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748889 C\n0.666668 0.333332 0.865873 C\n0.000000 0.000000 0.248889 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365873 C\n0.000000 0.000000 0.502039 C\n0.666668 0.333332 0.629469 N\n0.333333 0.666666 0.129469 N\n",
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"formula_full": "Al10 C6 N2",
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{
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"created_at": "2022-09-04T14:38:29.269830Z",
"updated_at": "2022-09-04T14:38:29.269861Z",
"structure_string": "Al6 C3 N2\n1.0\n3.260769 0.005283 13.268744\n1.610949 2.835046 13.268744\n0.009061 0.005283 13.663531\nAl C N\n6 3 2\ndirect\n0.308459 0.308459 0.308459 Al\n0.912544 0.912543 0.912543 Al\n0.189135 0.189134 0.189134 Al\n0.810217 0.810216 0.810216 Al\n0.086801 0.086801 0.086801 Al\n0.690884 0.690883 0.690883 Al\n0.999673 0.999673 0.999672 C\n0.134525 0.134525 0.134525 C\n0.864822 0.864821 0.864821 C\n0.736020 0.736020 0.736020 N\n0.263324 0.263324 0.263324 N\n",
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{
"id": "jvasp-86283",
"created_at": "2022-09-04T14:35:41.632646Z",
"updated_at": "2022-09-04T14:35:41.632670Z",
"structure_string": "Al10 C6 N2\n1.0\n3.308163 0.000000 0.000000\n-1.654081 2.864953 -0.000000\n0.000000 -0.000000 21.876318\nAl C N\n10 6 2\ndirect\n0.000000 0.000000 0.159120 Al\n0.000000 0.000000 0.847607 Al\n0.666666 0.333333 0.952871 Al\n0.000000 0.000000 0.659120 Al\n0.000000 0.000000 0.347607 Al\n0.333333 0.666666 0.262570 Al\n0.333333 0.666666 0.452871 Al\n0.666666 0.333333 0.762570 Al\n0.666666 0.333333 0.544560 Al\n0.333333 0.666666 0.044560 Al\n0.000000 0.000000 0.748890 C\n0.666666 0.333333 0.865872 C\n0.000000 0.000000 0.248890 C\n0.000000 0.000000 0.002039 C\n0.333333 0.666666 0.365872 C\n0.000000 0.000000 0.502039 C\n0.666666 0.333333 0.629470 N\n0.333333 0.666666 0.129470 N\n",
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{
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"structure_string": "Al2 C1 O1\n1.0\n3.468370 0.000000 0.000000\n-1.734185 3.003697 0.000000\n0.000000 0.000000 4.096854\nAl C O\n2 1 1\ndirect\n0.333334 0.666668 0.000000 Al\n0.666668 0.333333 0.499999 Al\n0.333334 0.666668 0.499999 C\n0.666668 0.333333 0.000000 O\n",
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"spacegroup": 187
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{
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"created_at": "2022-09-04T14:38:13.243313Z",
"updated_at": "2022-09-04T14:38:13.243339Z",
"structure_string": "Al8 C4 O4\n1.0\n5.123921 0.000000 0.000000\n0.000000 5.638332 0.000000\n0.000000 0.000000 6.310651\nAl C O\n8 4 4\ndirect\n0.104452 0.419644 0.882190 Al\n0.598463 0.077670 0.866219 Al\n0.104452 0.919644 0.617810 Al\n0.598463 0.577670 0.633780 Al\n0.098463 0.422330 0.366219 Al\n0.604452 0.080356 0.382190 Al\n0.098463 0.922330 0.133781 Al\n0.604452 0.580356 0.117810 Al\n0.482622 0.399284 0.876410 C\n0.482622 0.899284 0.623590 C\n0.982622 0.100716 0.376410 C\n0.982622 0.600716 0.123590 C\n0.980460 0.079600 0.876003 O\n0.980460 0.579600 0.623997 O\n0.480460 0.420400 0.376003 O\n0.480460 0.920400 0.123997 O\n",
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{
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"created_at": "2022-09-04T14:35:52.724026Z",
"updated_at": "2022-09-04T14:35:52.724061Z",
"structure_string": "Al4 C1 O1\n1.0\n2.931659 0.001011 0.034507\n0.000224 5.093117 -0.008261\n-0.070386 -0.121691 5.217669\nAl C O\n4 1 1\ndirect\n0.040351 0.787529 0.605456 Al\n0.542176 0.914593 0.088618 Al\n0.541260 0.228787 0.572824 Al\n0.041390 0.445576 0.024023 Al\n0.540758 0.570703 0.778514 C\n0.541649 0.287551 0.218894 O\n",
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{
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"updated_at": "2022-09-04T14:38:20.248056Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075466 0.035365\n6.435453 0.000000 0.000000\n0.000000 -0.594877 -12.841670\nAl Cd Cl\n4 2 16\ndirect\n0.438621 0.940254 0.455660 Al\n0.849936 0.432924 0.759444 Al\n0.849936 0.567076 0.259444 Al\n0.438621 0.059745 0.955660 Al\n0.999638 0.752444 0.501144 Cd\n0.999639 0.247556 0.001144 Cd\n0.592078 0.557340 0.171427 Cl\n0.592078 0.442660 0.671427 Cl\n0.946998 0.881604 0.298487 Cl\n0.946998 0.118396 0.798487 Cl\n0.216749 0.918159 0.046497 Cl\n0.216749 0.081841 0.546497 Cl\n0.836432 0.576087 0.914669 Cl\n0.697474 0.951183 0.557550 Cl\n0.697474 0.048816 0.057550 Cl\n0.083561 0.588100 0.685223 Cl\n0.343025 0.381599 0.939682 Cl\n0.343026 0.618400 0.439682 Cl\n0.464088 0.087197 0.311212 Cl\n0.464088 0.912802 0.811212 Cl\n0.836432 0.423913 0.414669 Cl\n0.083562 0.411900 0.185223 Cl\n",
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"spacegroup": 7
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{
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"created_at": "2022-09-04T14:38:09.007541Z",
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"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075443 0.035339\n6.435455 0.000000 0.000000\n0.000000 -0.594808 -12.841765\nAl Cd Cl\n4 2 16\ndirect\n0.438614 0.940249 0.455681 Al\n0.849948 0.432844 0.759425 Al\n0.849948 0.567157 0.259425 Al\n0.438614 0.059752 0.955681 Al\n0.999644 0.752336 0.501152 Cd\n0.999644 0.247665 0.001152 Cd\n0.592120 0.557416 0.171388 Cl\n0.592120 0.442585 0.671388 Cl\n0.946946 0.881681 0.298510 Cl\n0.946946 0.118320 0.798510 Cl\n0.216731 0.918300 0.046574 Cl\n0.216731 0.081701 0.546574 Cl\n0.836443 0.576113 0.914618 Cl\n0.697480 0.951104 0.557566 Cl\n0.697480 0.048896 0.057566 Cl\n0.083612 0.587897 0.685187 Cl\n0.343024 0.381606 0.939630 Cl\n0.343024 0.618395 0.439630 Cl\n0.464033 0.087328 0.311264 Cl\n0.464033 0.912673 0.811263 Cl\n0.836444 0.423888 0.414618 Cl\n0.083612 0.412104 0.185188 Cl\n",
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{
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"structure_string": "Al1 Cd1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAl Cd O\n1 1 1\ndirect\n-0.016502 -0.058384 0.000000 Al\n0.339868 0.001167 0.000000 Cd\n0.046033 0.261115 0.000000 O\n",
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"volume": 192.04741855379137,
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},
{
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"created_at": "2022-09-04T14:36:56.593402Z",
"updated_at": "2022-09-04T14:36:56.593421Z",
"structure_string": "Al4 Cd2 O8\n1.0\n5.976278 -0.000000 -0.000000\n2.988139 5.175608 0.000000\n2.988139 1.725202 4.879609\nAl Cd O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.625000 0.625000 Al\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Cd\n0.395350 0.395350 0.395350 O\n0.395350 0.395350 0.813951 O\n0.395350 0.813951 0.395350 O\n0.813952 0.395350 0.395350 O\n0.436049 0.854650 0.854650 O\n0.854651 0.436048 0.854650 O\n0.854651 0.854650 0.436049 O\n0.854651 0.854650 0.854650 O\n",
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]
}