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{
"id": "jvasp-46260",
"created_at": "2022-09-04T14:35:54.207730Z",
"updated_at": "2022-09-04T14:35:54.207749Z",
"structure_string": "Li2 Ni3 Bi1 O8\n1.0\n-2.929609 1.691410 4.784031\n0.000000 3.382820 -4.784031\n-3.234330 -1.867342 -4.908432\nLi Ni Bi O\n2 3 1 8\ndirect\n0.882841 0.117160 0.648522 Li\n0.117160 0.882840 0.351478 Li\n0.500000 0.500000 0.000000 Ni\n0.500000 -0.000000 0.000000 Ni\n0.000000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Bi\n0.752918 0.719737 0.786097 O\n0.752918 0.247083 0.786097 O\n0.270238 0.729763 0.810714 O\n0.280263 0.247083 0.786097 O\n0.719737 0.752917 0.213903 O\n0.729763 0.270238 0.189286 O\n0.247083 0.752918 0.213903 O\n0.247083 0.280263 0.213903 O\n",
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{
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"structure_string": "B2 O1\n1.0\n3.694485 0.000000 0.000000\n0.000000 2.701009 0.000000\n0.000000 0.000000 3.292642\nB O\n2 1\ndirect\n0.031581 0.000000 0.748301 B\n0.031581 0.000000 0.251699 B\n0.336838 0.000000 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:15.191621Z",
"structure_string": "Tm4 Ga4 O12\n1.0\n5.220241 0.000000 0.000000\n0.000000 5.558169 0.000000\n0.000000 0.000000 7.549633\nTm Ga O\n4 4 12\ndirect\n0.021245 0.072614 0.990932 Tm\n0.478755 0.572614 0.990932 Tm\n0.521245 0.427386 0.490932 Tm\n0.978755 0.927386 0.490932 Tm\n0.000000 0.499994 0.240929 Ga\n0.500000 0.999994 0.240929 Ga\n0.500000 0.000006 0.740929 Ga\n-0.000000 0.500006 0.740929 Ga\n0.809970 0.193058 0.301091 O\n0.690030 0.693058 0.301091 O\n0.690040 0.693082 0.680753 O\n0.619256 0.956824 0.990925 O\n0.380744 0.043176 0.490926 O\n0.190040 0.806918 0.180753 O\n0.309970 0.306942 0.801091 O\n0.190030 0.806942 0.801091 O\n0.809960 0.193082 0.680753 O\n0.119256 0.543176 0.490926 O\n0.309960 0.306918 0.180753 O\n0.880744 0.456824 0.990925 O\n",
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],
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"density": 8.692027466432188,
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"volume": 219.0524633271205,
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"formula_full": "Tm4 Ga4 O12",
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"spacegroup": 62
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{
"id": "jvasp-18983",
"created_at": "2022-09-04T14:36:59.733803Z",
"updated_at": "2022-09-04T14:36:59.733828Z",
"structure_string": "Ti8 O16\n1.0\n5.171752 -0.000000 0.000000\n0.000000 5.495267 0.000000\n0.000000 0.000000 9.249601\nTi O\n8 16\ndirect\n0.139135 0.405012 0.371043 Ti\n0.639134 0.594988 0.128956 Ti\n0.360865 0.905012 0.628956 Ti\n0.860865 0.094988 0.871043 Ti\n0.860865 0.594988 0.628956 Ti\n0.360865 0.405012 0.871043 Ti\n0.639134 0.094988 0.371043 Ti\n0.139135 0.905012 0.128956 Ti\n0.684447 0.851093 0.510008 O\n0.184447 0.148907 0.989991 O\n0.184447 0.648908 0.510008 O\n0.684447 0.351093 0.989991 O\n0.315552 0.148907 0.489991 O\n0.815552 0.851093 0.010008 O\n0.464648 0.890851 0.230217 O\n0.535351 0.109150 0.769783 O\n0.035352 0.390850 0.769783 O\n0.535351 0.609150 0.730217 O\n0.315552 0.648908 0.010008 O\n0.035352 0.890851 0.730217 O\n0.964648 0.609150 0.230217 O\n0.464648 0.390850 0.269783 O\n0.964648 0.109150 0.269783 O\n0.815552 0.351093 0.489991 O\n",
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{
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"created_at": "2022-09-04T14:36:13.715574Z",
"updated_at": "2022-09-04T14:36:13.715597Z",
"structure_string": "Li2 Mn1 Be1\n1.0\n-1.602402 1.602402 4.265774\n1.602402 -1.602402 4.265774\n1.602402 1.602402 -4.265774\nLi Mn Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.250000 0.749999 0.500000 Mn\n0.749999 0.250000 0.500000 Be\n",
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{
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"created_at": "2022-09-04T14:36:12.736607Z",
"updated_at": "2022-09-04T14:36:12.736626Z",
"structure_string": "Mn2 Be1 Ir1\n1.0\n2.786022 0.000000 -0.000000\n0.000000 2.786022 0.000000\n-0.000000 0.000000 5.644761\nMn Be Ir\n2 1 1\ndirect\n0.000000 0.000000 0.037490 Mn\n0.500000 0.500000 0.253640 Mn\n0.000000 0.000000 0.488836 Be\n0.500000 0.500000 0.720034 Ir\n",
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"spacegroup": 99
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{
"id": "jvasp-11722",
"created_at": "2022-09-04T14:38:07.655732Z",
"updated_at": "2022-09-04T14:38:07.655760Z",
"structure_string": "V2 Fe2 O8\n1.0\n4.940879 -0.030586 -0.000000\n-1.842384 4.584631 0.000000\n-0.000000 -0.000000 5.817149\nV Fe O\n2 2 8\ndirect\n0.645194 0.354805 0.250000 V\n0.354806 0.645193 0.750000 V\n0.000000 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.755258 0.788813 0.750000 O\n0.244741 0.211187 0.250000 O\n0.788816 0.755258 0.250000 O\n0.211186 0.244742 0.750000 O\n0.228402 0.771601 0.977541 O\n0.771600 0.228399 0.477542 O\n0.228402 0.771601 0.522458 O\n0.771600 0.228399 0.022459 O\n",
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{
"id": "jvasp-59246",
"created_at": "2022-09-04T14:38:08.273295Z",
"updated_at": "2022-09-04T14:38:08.273321Z",
"structure_string": "Ta4 Ga4 O16\n1.0\n5.005125 0.000000 0.000000\n0.000000 5.626340 0.000000\n0.000000 0.000000 9.335288\nTa Ga O\n4 4 16\ndirect\n0.762257 0.583031 0.126955 Ta\n0.762257 0.083031 0.373045 Ta\n0.262257 0.916969 0.626956 Ta\n0.262257 0.416969 0.873045 Ta\n0.245526 0.433173 0.378939 Ga\n0.745526 0.566827 0.621061 Ga\n0.745526 0.066827 0.878939 Ga\n0.245526 0.933173 0.121061 Ga\n0.921890 0.362577 0.991441 O\n0.417245 0.140231 0.987276 O\n0.576630 0.353273 0.759419 O\n0.076448 0.123364 0.762409 O\n0.576630 0.853273 0.740581 O\n0.076448 0.623364 0.737591 O\n0.417245 0.640231 0.512724 O\n0.576448 0.376636 0.262409 O\n0.917245 0.359769 0.487276 O\n0.421891 0.137423 0.491441 O\n0.421891 0.637423 0.008560 O\n0.076631 0.146727 0.259419 O\n0.576448 0.876636 0.237591 O\n0.076631 0.646727 0.240581 O\n0.921890 0.862577 0.508560 O\n0.917245 0.859769 0.012724 O\n",
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{
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"created_at": "2022-09-04T14:37:10.862981Z",
"updated_at": "2022-09-04T14:37:10.862993Z",
"structure_string": "Li2 Nb1 O1 F5\n1.0\n4.972771 -0.003652 0.013700\n-2.489548 4.312091 -0.027440\n0.012649 -0.021952 4.599575\nLi Nb O F\n2 1 1 5\ndirect\n0.319305 0.653021 0.491914 Li\n0.680700 0.333716 0.491907 Li\n-0.000002 0.974882 0.980215 Nb\n0.999999 0.685329 0.751264 O\n-0.000001 0.324373 0.257994 F\n0.326498 0.331778 0.756366 F\n0.325618 0.008620 0.256998 F\n0.674384 0.683007 0.256991 F\n0.673488 0.005276 0.756357 F\n",
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{
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"created_at": "2022-09-04T14:38:33.169919Z",
"updated_at": "2022-09-04T14:38:33.169937Z",
"structure_string": "Mn4 Cu1 O8\n1.0\n-0.028539 2.962053 -5.329066\n1.603480 -2.490668 -5.329066\n-4.916553 1.499053 -2.687317\nMn Cu O\n4 1 8\ndirect\n-0.000000 0.500001 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.460626 0.240182 0.779554 O\n0.980537 0.282170 0.797433 O\n0.484737 0.777970 0.797432 O\n0.977933 0.725297 0.747361 O\n0.022066 0.274706 0.252640 O\n0.515263 0.222032 0.202568 O\n0.019462 0.717832 0.202568 O\n0.539373 0.759821 0.220447 O\n",
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{
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"structure_string": "Tl2 Ni2 O6\n1.0\n4.671330 0.026739 2.638308\n1.552338 4.405938 2.638308\n0.037543 0.026739 5.364754\nTl Ni O\n2 2 6\ndirect\n0.267677 0.267679 0.267677 Tl\n0.767678 0.767678 0.767677 Tl\n0.007349 0.007349 0.007350 Ni\n0.507348 0.507350 0.507348 Ni\n0.242687 0.847008 0.663779 O\n0.847008 0.663778 0.242689 O\n0.663777 0.242691 0.847006 O\n0.163778 0.347009 0.742687 O\n0.742688 0.163778 0.347005 O\n0.347007 0.742689 0.163778 O\n",
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{
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"structure_string": "Ca1 La1 V1 Fe1 O6\n1.0\n4.651139 0.000000 2.685336\n1.550380 4.385136 2.685336\n-0.000000 0.000000 5.370673\nCa La V Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 La\n0.500000 0.500001 0.500000 V\n0.000000 0.000000 0.000000 Fe\n0.749610 0.749610 0.250391 O\n0.250390 0.749610 0.250390 O\n0.749610 0.250391 0.250391 O\n0.250390 0.250391 0.749610 O\n0.749610 0.250391 0.749610 O\n0.250390 0.749610 0.749610 O\n",
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}
]
}