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{
"id": "jvasp-104791",
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"structure_string": "Ti1 Cr1 O4\n1.0\n3.488568 -0.029283 -4.209648\n-0.475764 3.456098 -4.209648\n0.025745 0.029283 5.467228\nTi Cr O\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Ti\n0.000000 0.000000 0.000000 Cr\n0.962357 0.462357 0.500000 O\n0.797395 0.797394 0.000001 O\n0.537643 0.037643 0.500000 O\n0.202607 0.202607 0.000000 O\n",
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{
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{
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"structure_string": "Na2 Dy2 Ti4 O12\n1.0\n5.304334 -0.000000 0.000000\n0.000000 5.517496 0.000000\n-0.000000 -0.000000 7.598559\nNa Dy Ti O\n2 2 4 12\ndirect\n0.495316 0.715188 0.500000 Na\n0.995316 0.284813 -0.000000 Na\n0.015917 0.178714 0.500000 Dy\n0.515916 0.821287 -0.000000 Dy\n0.512142 0.265210 0.752505 Ti\n0.012142 0.734790 0.252505 Ti\n0.512142 0.265210 0.247495 Ti\n0.012142 0.734790 0.747495 Ti\n0.689871 0.556360 0.197954 O\n0.782629 0.039794 0.790538 O\n0.689871 0.556360 0.802046 O\n0.782629 0.039794 0.209463 O\n0.282630 0.960207 0.290538 O\n0.599228 0.276468 0.500000 O\n0.420251 0.227111 -0.000000 O\n0.099229 0.723533 -0.000000 O\n0.189871 0.443641 0.302046 O\n0.920250 0.772890 0.500000 O\n0.189871 0.443641 0.697954 O\n0.282630 0.960207 0.709463 O\n",
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{
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"created_at": "2022-09-04T14:38:49.732495Z",
"updated_at": "2022-09-04T14:38:49.732515Z",
"structure_string": "Li2 In1 F3\n1.0\n3.004695 -0.000000 0.000000\n-1.502348 2.602143 -0.000000\n-0.000000 -0.000000 8.533369\nLi In F\n2 1 3\ndirect\n0.333333 0.666666 0.133127 Li\n0.666667 0.333333 0.866873 Li\n0.000000 0.000000 0.500000 In\n0.333333 0.666666 0.737835 F\n0.666667 0.333333 0.262165 F\n0.000000 0.000000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:36:53.623431Z",
"updated_at": "2022-09-04T14:36:53.623441Z",
"structure_string": "H8 C15 S3\n1.0\n3.890233 0.008666 0.419696\n1.658457 6.260057 1.398800\n-0.296061 0.184872 11.883379\nH C S\n8 15 3\ndirect\n0.725913 0.779135 0.006740 H\n0.054433 0.005537 0.806979 H\n0.712823 0.056539 0.638537 H\n0.259608 0.050408 0.001947 H\n0.410433 0.208441 0.442260 H\n0.633890 0.306161 0.283093 H\n0.538286 0.191384 0.111262 H\n0.807927 0.888827 0.186353 H\n0.970205 0.737350 0.167992 C\n0.926534 0.675456 0.067470 C\n0.264115 0.679950 0.355380 C\n0.215050 0.604053 0.251634 C\n0.120097 0.473521 0.046120 C\n0.420393 0.407287 0.227180 C\n0.370907 0.342915 0.127791 C\n0.054989 0.395808 0.947172 C\n0.416944 0.532654 0.457353 C\n0.844936 0.353237 0.761302 C\n0.483835 0.309354 0.491602 C\n0.641791 0.226597 0.599066 C\n0.016102 0.159617 0.831227 C\n0.133276 0.184038 0.934742 C\n0.692493 0.385256 0.651428 C\n0.540582 0.638750 0.565493 S\n0.832859 0.565769 0.827056 S\n0.151871 0.943803 0.353966 S\n",
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{
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"created_at": "2022-09-04T14:37:08.508179Z",
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"structure_string": "Sc3 Co1 C4\n1.0\n3.307615 -0.000000 -0.879896\n-0.382192 4.078517 -1.436698\n-0.016380 0.011477 6.595198\nSc Co C\n3 1 4\ndirect\n0.000000 0.500000 -0.000000 Sc\n0.187642 0.187643 0.375284 Sc\n0.812357 0.812359 0.624716 Sc\n0.499999 0.000000 -0.000000 Co\n0.375949 0.209879 0.751897 C\n0.624051 0.790123 0.248102 C\n0.624050 0.457981 0.248103 C\n0.375949 0.542020 0.751897 C\n",
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"volume": 88.9699190493455,
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{
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"created_at": "2022-09-04T14:37:38.721249Z",
"updated_at": "2022-09-04T14:37:38.721270Z",
"structure_string": "Mn2 Co1 Si1\n1.0\n3.444351 -0.000000 1.988596\n1.148117 3.247365 1.988596\n0.000000 0.000000 3.977194\nMn Co Si\n2 1 1\ndirect\n0.750001 0.749999 0.750001 Mn\n0.000000 0.000000 0.000000 Mn\n0.500001 0.499999 0.500001 Co\n0.250000 0.250000 0.250000 Si\n",
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{
"id": "jvasp-116963",
"created_at": "2022-09-04T14:38:47.717465Z",
"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
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{
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"structure_string": "V2 Cu1 O6\n1.0\n-3.575645 -0.024492 0.005359\n1.582334 4.636278 0.059063\n-0.360741 -2.257119 -6.081537\nV Cu O\n2 1 6\ndirect\n0.828569 0.621399 0.349117 V\n0.171431 0.378602 0.650883 V\n0.000000 0.000000 0.000000 Cu\n0.979334 0.948173 0.280157 O\n0.020666 0.051828 0.719844 O\n0.724303 0.314991 0.109084 O\n0.275697 0.685010 0.890917 O\n0.686416 0.385876 0.568348 O\n0.313584 0.614125 0.431653 O\n",
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{
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"structure_string": "Be2 P1 W1\n1.0\n-1.683995 1.683995 3.921922\n1.683995 -1.683995 3.921922\n1.683995 1.683995 -3.921922\nBe P W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749998 0.499999 Be\n0.500000 0.500000 0.000000 P\n0.749998 0.250000 0.499999 W\n",
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{
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"created_at": "2022-09-04T14:36:54.870233Z",
"updated_at": "2022-09-04T14:36:54.870245Z",
"structure_string": "Li4 Nb4 Cr4 O16\n1.0\n6.133253 0.000079 0.000156\n-0.000072 6.133254 0.000076\n-0.000089 -0.000371 8.278648\nLi Nb Cr O\n4 4 4 16\ndirect\n0.760800 -0.000000 -0.000002 Li\n0.239196 -0.000001 0.500000 Li\n0.000000 0.239198 0.250002 Li\n0.000002 0.760803 0.750002 Li\n0.754892 0.245103 0.625000 Nb\n0.245112 0.245115 0.875001 Nb\n0.754892 0.754893 0.375000 Nb\n0.245106 0.754890 0.125001 Nb\n0.499999 0.751215 0.750000 Cr\n0.248784 0.500002 0.500000 Cr\n0.751215 0.499998 0.000001 Cr\n0.500002 0.248785 0.250001 Cr\n0.018304 0.739743 0.495073 O\n-0.018308 0.739740 0.004929 O\n0.512848 0.735087 0.994727 O\n0.487147 0.735087 0.505272 O\n0.264913 0.512849 0.744729 O\n0.735088 0.512849 0.755274 O\n0.264912 0.487157 0.255271 O\n0.260260 0.018311 0.245072 O\n0.487155 0.264910 0.494731 O\n0.512851 0.264914 0.005273 O\n0.018309 0.260260 0.504927 O\n-0.018306 0.260254 -0.004927 O\n0.739741 -0.018307 0.745073 O\n0.739743 0.018303 0.254927 O\n0.735085 0.487145 0.244728 O\n0.260255 -0.018306 0.754927 O\n",
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}
]
}