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{
"id": "jvasp-41990",
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"structure_string": "Al2 Pd1 Ru1\n1.0\n0.000000 3.029735 3.029735\n3.029735 0.000000 3.029735\n3.029735 3.029735 0.000000\nAl Pd Ru\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pd\n0.749998 0.749998 0.749998 Ru\n",
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{
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{
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"structure_string": "Al2 Pd1\n1.0\n3.643069 0.000000 2.103326\n1.214357 3.434718 2.103326\n-0.000000 -0.000000 4.206654\nAl Pd\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750001 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Al2 Pb6\n1.0\n6.870603 0.000000 0.000000\n-3.435302 5.950117 0.000000\n0.000000 0.000000 5.681605\nAl Pb\n2 6\ndirect\n0.666667 0.333334 0.250000 Al\n0.333334 0.666667 0.750001 Al\n0.830536 0.169464 0.750001 Pb\n0.338928 0.169464 0.750001 Pb\n0.830536 0.661072 0.750001 Pb\n0.169465 0.830536 0.250000 Pb\n0.661072 0.830536 0.250000 Pb\n0.169464 0.338928 0.250000 Pb\n",
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"density": 9.273683682134688,
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"volume": 232.26907874712512,
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"formula_full": "Al2 Pb6",
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{
"id": "jvasp-99102",
"created_at": "2022-09-04T14:35:42.811067Z",
"updated_at": "2022-09-04T14:35:42.811092Z",
"structure_string": "Al2 P2 S8\n1.0\n6.428969 0.000000 0.000000\n0.000000 6.428969 0.000000\n0.000000 0.000000 7.694969\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.584671 Al\n0.000000 0.000000 0.084671 Al\n0.000000 0.500000 0.084665 P\n0.500000 0.000000 0.584665 P\n0.732637 0.238771 0.584666 S\n0.761229 0.267364 0.084666 S\n0.732637 0.761229 0.584666 S\n0.238771 0.732637 0.084666 S\n0.267364 0.761229 0.584666 S\n0.238771 0.267364 0.084666 S\n0.761229 0.732637 0.084666 S\n0.267364 0.238771 0.584666 S\n",
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"elements": [
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"formula_full": "Al2 P2 S8",
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{
"id": "jvasp-5353",
"created_at": "2022-09-04T14:36:00.776854Z",
"updated_at": "2022-09-04T14:36:00.776889Z",
"structure_string": "Al2 P2 S8\n1.0\n5.695531 0.000000 0.000000\n0.000000 5.697591 0.000000\n0.000000 0.000000 9.367187\nAl P S\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.212321 0.275747 0.117277 S\n0.212321 0.724252 0.882723 S\n0.787679 0.275747 0.882723 S\n0.787679 0.724252 0.117277 S\n0.774380 0.791612 0.619776 S\n0.774380 0.208388 0.380224 S\n0.225620 0.791612 0.380224 S\n0.225620 0.208388 0.619776 S\n",
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"formula_full": "Al2 P2 S8",
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"spacegroup": 16
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{
"id": "jvasp-57748",
"created_at": "2022-09-04T14:38:30.027550Z",
"updated_at": "2022-09-04T14:38:30.027570Z",
"structure_string": "Al2 P2 O8\n1.0\n4.992968 -0.003724 -0.000000\n-0.006742 4.992964 0.000000\n0.000000 0.000000 6.904297\nAl P O\n2 2 8\ndirect\n0.188935 0.188935 0.250000 Al\n0.811066 0.811065 0.750000 Al\n0.313181 0.686819 0.000000 P\n0.686820 0.313181 0.500000 P\n0.267026 0.390128 0.048898 O\n0.732974 0.609872 0.548898 O\n0.390128 0.267026 0.451102 O\n0.609873 0.732974 0.951102 O\n0.234781 0.855122 0.177948 O\n0.765220 0.144878 0.677948 O\n0.855123 0.234781 0.322052 O\n0.144878 0.765219 0.822052 O\n",
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{
"id": "jvasp-97406",
"created_at": "2022-09-04T14:35:44.329471Z",
"updated_at": "2022-09-04T14:35:44.329490Z",
"structure_string": "Al2 P2 O8\n1.0\n4.770292 -0.421406 0.086464\n-2.470044 4.740658 -0.102192\n0.291190 0.036516 7.043445\nAl P O\n2 2 8\ndirect\n0.402646 0.929421 0.166727 Al\n-0.127401 0.420336 0.500057 Al\n0.843956 0.471374 0.936457 P\n0.581229 0.556458 0.171939 P\n0.782067 0.178472 0.014464 O\n0.304742 0.533314 0.515938 O\n0.309770 0.220894 0.208033 O\n0.443842 -0.172586 0.584492 O\n0.731695 0.439477 0.731499 O\n-0.091863 0.644368 0.305589 O\n0.206383 0.729334 0.949445 O\n0.612937 0.049139 0.408955 O\n",
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{
"id": "jvasp-13743",
"created_at": "2022-09-04T14:37:14.279827Z",
"updated_at": "2022-09-04T14:37:14.279847Z",
"structure_string": "Al2 P2 O8\n1.0\n4.593108 -0.045753 0.000000\n-1.668319 4.279655 -0.000000\n-0.000000 -0.000000 6.029136\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347966 0.652033 0.750000 P\n0.652034 0.347967 0.250000 P\n0.762566 0.237435 0.458869 O\n0.237434 0.762565 0.958869 O\n0.237434 0.762565 0.541132 O\n0.762566 0.237435 0.041131 O\n0.220080 0.280903 0.750000 O\n0.779921 0.719097 0.250000 O\n0.280903 0.220080 0.250000 O\n0.719097 0.779920 0.750000 O\n",
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{
"id": "jvasp-4828",
"created_at": "2022-09-04T14:36:39.763833Z",
"updated_at": "2022-09-04T14:36:39.763858Z",
"structure_string": "Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n",
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{
"id": "jvasp-57860",
"created_at": "2022-09-04T14:38:28.467570Z",
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"structure_string": "Al2 P2 O8\n1.0\n0.000000 4.938855 0.028914\n8.232127 0.000000 0.000000\n0.000000 -2.418293 -4.490199\nAl P O\n2 2 8\ndirect\n0.556162 0.067933 0.329511 Al\n0.443838 0.567933 0.670490 Al\n0.770534 0.441444 0.322646 P\n0.229467 0.941444 0.677355 P\n0.589465 0.558225 0.417400 O\n0.410535 0.058225 0.582601 O\n0.115195 0.444734 0.551468 O\n0.884805 0.944735 0.448534 O\n0.649235 0.268642 0.301992 O\n0.350765 0.768643 0.698009 O\n0.270398 0.995724 -0.017363 O\n0.729602 0.495723 0.017364 O\n",
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{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
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