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{
"id": "jvasp-18952",
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{
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"structure_string": "Cr3 Se1\n1.0\n-1.728896 1.728896 4.140116\n1.728896 -1.728896 4.140116\n1.728896 1.728896 -4.140116\nCr Se\n3 1\ndirect\n0.750000 0.249999 0.500001 Cr\n0.249999 0.750000 0.500001 Cr\n0.500002 0.500002 0.000000 Cr\n0.000000 0.000000 0.000000 Se\n",
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{
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"created_at": "2022-09-04T14:36:11.231233Z",
"updated_at": "2022-09-04T14:36:11.231264Z",
"structure_string": "Cr3 Sb1 P4 O16\n1.0\n0.000000 4.807774 -0.002033\n5.774522 0.000000 0.000000\n0.000000 -0.037024 -9.962837\nCr Sb P O\n3 1 4 16\ndirect\n0.424195 0.500000 0.227436 Cr\n0.575302 0.000000 0.778409 Cr\n0.931958 0.000000 0.263323 Cr\n0.065383 0.500000 0.723115 Sb\n0.160919 0.000000 0.585106 P\n0.373089 0.000000 0.085527 P\n0.610728 0.500000 0.928653 P\n0.858824 0.500000 0.398307 P\n0.714611 0.288946 0.321988 O\n0.864728 0.000000 0.639486 O\n0.686296 0.000000 0.110316 O\n0.751098 0.712753 0.855519 O\n0.751098 0.287247 0.855519 O\n0.677853 0.500000 0.077457 O\n0.315604 0.000000 0.934371 O\n0.173763 0.500000 0.379922 O\n0.220128 0.792873 0.161741 O\n0.296996 0.500000 0.906449 O\n0.714611 0.711054 0.321988 O\n0.336888 0.202176 0.653513 O\n0.336888 0.797824 0.653513 O\n0.164426 0.000000 0.433157 O\n0.220128 0.207126 0.161741 O\n0.774483 0.500000 0.543443 O\n",
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"elements": [
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"chemical_system": "Cr-O-P-Sb",
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"formula_full": "Cr3 Sb1 P4 O16",
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{
"id": "jvasp-44587",
"created_at": "2022-09-04T14:36:35.161788Z",
"updated_at": "2022-09-04T14:36:35.161813Z",
"structure_string": "Cr6 Sb2 O16\n1.0\n5.833401 -0.000013 0.000417\n-2.916712 5.051892 -0.000833\n-0.000554 0.000958 9.248293\nCr Sb O\n6 2 16\ndirect\n0.169683 0.830329 0.212705 Cr\n0.169669 0.339354 0.212712 Cr\n0.660616 0.830317 0.212720 Cr\n0.339385 0.169701 0.712720 Cr\n0.830318 0.660647 0.712705 Cr\n0.830332 0.169686 0.712712 Cr\n0.333313 0.666673 0.491981 Sb\n0.666688 0.333362 0.991981 Sb\n0.835119 0.670250 0.103356 O\n0.666680 0.333337 0.605566 O\n0.519539 0.039060 0.836940 O\n0.519536 0.480493 0.836939 O\n0.670190 0.835106 0.603377 O\n0.329811 0.164917 0.103376 O\n0.480462 0.519522 0.336940 O\n-0.000028 -0.000010 0.301281 O\n0.164888 0.329780 0.603360 O\n0.000029 0.000018 0.801280 O\n0.960958 0.480487 0.836926 O\n0.333321 0.666657 0.105566 O\n0.039044 0.519530 0.336926 O\n0.164882 0.835132 0.603355 O\n0.480465 0.960958 0.336940 O\n0.835113 0.164893 0.103360 O\n",
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{
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"created_at": "2022-09-04T14:36:32.752649Z",
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"structure_string": "Cr3 S4\n1.0\n-0.000000 3.455890 0.000000\n6.041405 -0.000000 -0.167619\n-3.010243 -1.727945 -5.502302\nCr S\n3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.735603 0.718780 0.471207 Cr\n0.264398 0.281220 0.528793 Cr\n0.633107 0.978130 0.266214 S\n0.366894 0.021871 0.733786 S\n0.123185 0.447983 0.246371 S\n0.876816 0.552017 0.753629 S\n",
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"volume": 116.62318530771158,
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"formula_full": "Cr3 S4",
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{
"id": "jvasp-42476",
"created_at": "2022-09-04T14:36:52.414230Z",
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"structure_string": "Cr6 S8\n1.0\n0.000000 6.045682 0.023595\n3.456824 0.000000 0.000000\n0.000000 -0.287277 -11.172783\nCr S\n6 8\ndirect\n-0.000007 0.000000 -0.000001 Cr\n0.500010 0.499999 0.500002 Cr\n0.516777 0.499999 0.235545 Cr\n0.016853 0.000000 0.735554 Cr\n0.983149 0.000000 0.264436 Cr\n0.483220 0.499999 0.764460 Cr\n0.675242 0.000000 0.123252 S\n0.175323 0.499999 0.623271 S\n0.154898 0.499999 0.133124 S\n0.654964 0.000000 0.633131 S\n0.345043 0.000000 0.366876 S\n0.845094 0.499999 0.866873 S\n0.824691 0.499999 0.376726 S\n0.324738 0.000000 0.876751 S\n",
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{
"id": "jvasp-8213",
"created_at": "2022-09-04T14:38:06.444748Z",
"updated_at": "2022-09-04T14:38:06.444775Z",
"structure_string": "Cr3 S4\n1.0\n3.334826 0.000000 -0.906741\n-0.710527 5.403231 -2.613186\n-0.021889 -0.052052 6.505306\nCr S\n3 4\ndirect\n0.735601 0.718770 0.471200 Cr\n0.264399 0.281230 0.528800 Cr\n0.000000 0.000000 0.000000 Cr\n0.123187 0.447978 0.246374 S\n0.876813 0.552022 0.753626 S\n0.633104 0.978125 0.266208 S\n0.366896 0.021875 0.733792 S\n",
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{
"id": "jvasp-102344",
"created_at": "2022-09-04T14:36:38.714881Z",
"updated_at": "2022-09-04T14:36:38.714891Z",
"structure_string": "Cr3 Ru3 C2\n1.0\n2.769662 -0.000000 0.000000\n-1.384831 2.398598 0.000000\n-0.000000 -0.000000 13.210642\nCr Ru C\n3 3 2\ndirect\n0.666666 0.333334 0.175269 Cr\n0.000000 0.000000 0.000000 Cr\n0.333334 0.666667 0.824731 Cr\n0.666666 0.333334 0.665055 Ru\n0.000000 0.000000 0.500000 Ru\n0.333334 0.666667 0.334945 Ru\n0.333334 0.666667 0.094774 C\n0.666666 0.333334 0.905226 C\n",
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{
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"created_at": "2022-09-04T14:38:28.759792Z",
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"structure_string": "Cr6 Ru2\n1.0\n4.618674 -0.000000 0.000000\n0.000000 4.618674 0.000000\n0.000000 0.000000 4.618674\nCr Ru\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.749999 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.749999 Cr\n0.500000 0.749999 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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"structure_string": "Cr3 Rh1 N1\n1.0\n3.812641 0.000000 0.000000\n0.000000 3.812641 0.000000\n-0.000000 -0.000000 3.812641\nCr Rh N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
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{
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"created_at": "2022-09-04T14:36:56.869930Z",
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"structure_string": "Cr6 Rh2\n1.0\n4.621367 0.000000 -0.000000\n-0.000000 4.621367 0.000000\n-0.000000 -0.000000 4.621367\nCr Rh\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.500000 0.750000 0.000000 Cr\n0.500000 0.250000 0.000000 Cr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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