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{
"id": "jvasp-118284",
"created_at": "2022-09-04T14:38:32.281550Z",
"updated_at": "2022-09-04T14:38:32.281589Z",
"structure_string": "Mn1 Zn1 F2\n1.0\n2.850639 -0.000000 -0.000000\n0.000000 2.850639 0.000000\n-0.000000 -0.000000 5.825843\nMn Zn F\n1 1 2\ndirect\n0.500000 0.500000 0.572653 Mn\n0.000000 0.000000 0.923425 Zn\n0.000000 0.000000 0.411980 F\n0.500000 0.500000 0.101941 F\n",
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{
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{
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"structure_string": "Mn2 Fe2 P4\n1.0\n3.181110 0.000000 0.000000\n0.000000 5.145516 0.000000\n0.000000 -0.000000 5.784386\nMn Fe P\n2 2 4\ndirect\n-0.000000 0.500046 0.453543 Mn\n-0.000000 0.000046 0.546458 Mn\n0.500000 0.498026 0.052690 Fe\n0.500000 0.998027 0.947311 Fe\n0.500000 0.309141 0.682535 P\n0.500000 0.809141 0.317466 P\n-0.000000 0.692789 0.828026 P\n-0.000000 0.192788 0.171975 P\n",
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{
"id": "jvasp-10025",
"created_at": "2022-09-04T14:37:28.349904Z",
"updated_at": "2022-09-04T14:37:28.349936Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n5.967322 -0.404847 0.578730\n2.633054 5.370275 0.578730\n3.339322 1.927959 5.453091\nMg Ag O\n2 4 8\ndirect\n0.124999 0.625001 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.013500 0.013500 -0.013500 Ag\n0.236500 0.236500 0.263500 Ag\n0.624999 0.625000 0.125000 Ag\n0.624999 0.625000 0.625000 Ag\n0.349824 0.349825 0.454181 O\n0.451520 0.849157 0.349661 O\n0.349824 0.349825 0.846171 O\n0.849155 0.451521 0.349661 O\n0.400843 0.798479 0.900339 O\n0.798478 0.400844 0.900339 O\n0.900174 0.900176 0.403829 O\n0.900174 0.900176 0.795819 O\n",
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"density": 6.094412492200618,
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"volume": 165.68246337644774,
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
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{
"id": "jvasp-32945",
"created_at": "2022-09-04T14:37:07.943939Z",
"updated_at": "2022-09-04T14:37:07.943968Z",
"structure_string": "Co2 S2 O8\n1.0\n3.979265 0.000000 -2.345309\n0.000000 6.752126 0.000000\n-2.466958 0.000000 6.739458\nCo S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.785173 0.250000 0.171501 S\n0.214828 0.750000 0.828500 S\n0.583818 0.750000 0.866247 O\n0.413041 0.750000 0.123869 O\n0.586960 0.250000 0.876132 O\n0.949085 0.934981 0.685274 O\n0.416183 0.250000 0.133753 O\n0.050916 0.065019 0.314726 O\n0.050916 0.434981 0.314726 O\n0.949085 0.565020 0.685274 O\n",
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{
"id": "jvasp-48084",
"created_at": "2022-09-04T14:38:28.006608Z",
"updated_at": "2022-09-04T14:38:28.006639Z",
"structure_string": "Li2 Co2 Si2 O8\n1.0\n4.962793 -0.000129 -0.003328\n0.000641 5.508068 0.000115\n0.038002 0.001573 6.061036\nLi Co Si O\n2 2 2 8\ndirect\n0.023075 0.338125 0.253845 Li\n0.523165 0.661871 0.753941 Li\n0.522963 0.171645 -0.000087 Co\n0.023035 0.828310 0.500048 Co\n0.018383 0.840067 0.003119 Si\n0.518362 0.159953 0.503005 Si\n0.149760 0.115652 0.023733 O\n0.687358 0.864101 0.984743 O\n0.089561 0.679496 0.226372 O\n0.633048 0.291715 0.276088 O\n0.187340 0.135875 0.484690 O\n0.649819 0.884374 0.523779 O\n0.589525 0.320523 0.726179 O\n0.133130 0.708290 0.776290 O\n",
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"density_atomic": 0.08449945210470558,
"volume": 165.6815476466311,
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{
"id": "jvasp-46176",
"created_at": "2022-09-04T14:38:12.560725Z",
"updated_at": "2022-09-04T14:38:12.560751Z",
"structure_string": "Hf4 Cr4 O12\n1.0\n4.849955 -0.000000 0.000000\n0.000000 5.303188 0.000000\n0.000000 0.000000 9.202270\nHf Cr O\n4 4 12\ndirect\n0.046357 0.953677 0.750000 Hf\n0.453643 0.453677 0.750000 Hf\n0.546358 0.546324 0.250000 Hf\n0.953644 0.046323 0.250000 Hf\n0.000000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.788947 0.779717 0.100701 O\n0.711054 0.279717 0.399299 O\n0.711054 0.279717 0.100701 O\n0.685644 0.130471 0.750000 O\n0.314357 0.869529 0.250000 O\n0.211054 0.220283 0.600701 O\n0.288947 0.720284 0.600701 O\n0.211054 0.220283 0.899299 O\n0.788947 0.779717 0.399299 O\n0.185644 0.369529 0.250000 O\n0.288947 0.720284 0.899299 O\n0.814357 0.630471 0.750000 O\n",
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"density": 7.815200079843473,
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"formula_full": "Hf4 Cr4 O12",
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{
"id": "jvasp-57394",
"created_at": "2022-09-04T14:38:32.366044Z",
"updated_at": "2022-09-04T14:38:32.366063Z",
"structure_string": "V2 Ni1 Te2 O10\n1.0\n4.771591 0.007914 -0.003861\n-1.841834 -6.105477 0.010770\n-2.292455 0.072918 -6.094392\nV Ni Te O\n2 1 2 10\ndirect\n0.643506 0.385003 0.371229 V\n0.356495 0.614998 0.628771 V\n0.000000 0.500000 0.000000 Ni\n0.267832 0.096203 0.780946 Te\n0.732170 0.903798 0.219053 Te\n0.038343 0.470014 0.709051 O\n0.662947 0.653418 0.867083 O\n0.294470 0.830929 0.039911 O\n0.602522 0.675535 0.427757 O\n0.725599 0.114727 0.413256 O\n0.274403 0.885274 0.586743 O\n0.397480 0.324466 0.572242 O\n0.705532 0.169072 0.960089 O\n0.337055 0.346583 0.132917 O\n0.961659 0.529987 0.290948 O\n",
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{
"id": "jvasp-67593",
"created_at": "2022-09-04T14:36:15.315658Z",
"updated_at": "2022-09-04T14:36:15.315678Z",
"structure_string": "Be1 Cu1 Si1\n1.0\n-1.268316 1.268316 5.517390\n1.268316 -1.268316 5.517390\n1.268316 1.268316 -5.517390\nBe Cu Si\n1 1 1\ndirect\n0.991635 0.991635 0.000000 Be\n0.352183 0.352183 0.000000 Cu\n0.656182 0.656182 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:38:35.353234Z",
"updated_at": "2022-09-04T14:38:35.353258Z",
"structure_string": "Zr4 S8 O32\n1.0\n5.482986 -0.000000 0.000000\n-0.000000 8.654674 0.000000\n0.000000 0.000000 10.972578\nZr S O\n4 8 32\ndirect\n0.250000 0.754714 0.604618 Zr\n0.750001 0.245286 0.395382 Zr\n0.250000 0.254714 0.895382 Zr\n0.750001 0.745286 0.104618 Zr\n0.750001 0.647194 0.408100 S\n0.250000 0.352805 0.591900 S\n0.750001 0.147194 0.091900 S\n0.250000 0.852805 0.908100 S\n0.750001 0.499961 0.843193 S\n0.250000 0.000038 0.343193 S\n0.750001 0.999961 0.656807 S\n0.250000 0.500038 0.156807 S\n0.250000 0.237321 0.690810 O\n0.033370 0.604114 0.162821 O\n0.966630 0.895885 0.662821 O\n0.466630 0.104114 0.337179 O\n0.750001 0.762678 0.309190 O\n0.750001 0.262678 0.190810 O\n0.970189 0.666703 0.483284 O\n0.750001 0.988938 0.143273 O\n0.250000 0.011062 0.856727 O\n0.750001 0.488938 0.356727 O\n0.250000 0.511061 0.643273 O\n0.533371 0.395886 0.837179 O\n0.470189 0.333296 0.516716 O\n0.250000 0.737321 0.809191 O\n0.533371 0.895885 0.662821 O\n0.470189 0.833296 0.983284 O\n0.966630 0.395886 0.837179 O\n0.466630 0.604114 0.162821 O\n0.029812 0.333296 0.516716 O\n0.529812 0.666703 0.483284 O\n0.529812 0.166703 0.016716 O\n0.970189 0.166703 0.016716 O\n0.750001 0.607831 0.744428 O\n0.250000 0.392169 0.255572 O\n0.750001 0.107831 0.755572 O\n0.250000 0.892169 0.244428 O\n0.750001 0.571506 0.965769 O\n0.250000 0.428494 0.034231 O\n0.750001 0.071506 0.534231 O\n0.250000 0.928494 0.465769 O\n0.033370 0.104114 0.337179 O\n0.029812 0.833296 0.983284 O\n",
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{
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"created_at": "2022-09-04T14:38:32.326319Z",
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"structure_string": "Li4 Nb3 Ni3 Te2 O16\n1.0\n6.075136 -0.078873 0.076096\n3.118806 5.214072 0.076096\n0.033874 0.018920 10.380062\nLi Nb Ni Te O\n4 3 3 2 16\ndirect\n0.665224 0.665223 0.901021 Li\n0.994103 0.994102 0.981743 Li\n0.994009 0.994008 0.501056 Li\n0.335393 0.335393 0.406413 Li\n0.843018 0.343983 0.219495 Nb\n0.343983 0.843017 0.219495 Nb\n0.181447 0.181447 0.731257 Nb\n0.657116 0.167750 0.715721 Ni\n0.167750 0.657116 0.715721 Ni\n0.828936 0.828935 0.210720 Ni\n0.670693 0.670692 0.518506 Te\n0.359965 0.359965 0.991649 Te\n0.144343 0.144343 0.100970 O\n0.685292 0.180040 0.088949 O\n0.324174 0.324174 0.602360 O\n0.013455 0.481729 0.835510 O\n0.481729 0.013456 0.835510 O\n0.834161 0.834160 0.603595 O\n0.482423 0.995506 0.323164 O\n0.507602 0.507602 0.321851 O\n0.331307 0.835798 0.603487 O\n0.002975 0.002975 0.800511 O\n0.994437 0.994436 0.314434 O\n0.661926 0.661925 0.101653 O\n0.484096 0.484096 0.847141 O\n0.835798 0.331307 0.603487 O\n0.995507 0.482422 0.323164 O\n0.180041 0.685291 0.088949 O\n",
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],
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{
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"created_at": "2022-09-04T14:36:35.433127Z",
"updated_at": "2022-09-04T14:36:35.433156Z",
"structure_string": "K2 Cu2 H6\n1.0\n4.902845 0.020169 -2.265038\n-1.997824 4.477387 -2.265038\n-0.013027 -0.020169 5.400751\nK Cu H\n2 2 6\ndirect\n0.750000 0.750001 -0.000000 K\n0.250000 0.250000 -0.000000 K\n0.499999 0.000000 0.499999 Cu\n0.000000 0.500000 0.500000 Cu\n0.807699 0.307700 0.115399 H\n0.749999 0.250000 0.499999 H\n0.692300 0.807700 0.500000 H\n0.250000 0.750000 0.500000 H\n0.307699 0.192300 0.500000 H\n0.192300 0.692300 0.884600 H\n",
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}