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{
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{
"id": "jvasp-74861",
"created_at": "2022-09-04T14:36:03.517008Z",
"updated_at": "2022-09-04T14:36:03.517037Z",
"structure_string": "Ta1 Be2 In1\n1.0\n-1.802855 1.802855 4.504307\n1.802855 -1.802855 4.504307\n1.802855 1.802855 -4.504307\nTa Be In\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Ta\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 In\n",
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{
"id": "jvasp-116784",
"created_at": "2022-09-04T14:38:45.247164Z",
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"structure_string": "V2 Pb3 O8\n1.0\n5.321087 0.020834 5.309327\n2.216027 4.837729 5.309327\n0.032319 0.020834 7.516773\nV Pb O\n2 3 8\ndirect\n0.595065 0.595063 0.595064 V\n0.404937 0.404936 0.404936 V\n0.798976 0.798973 0.798974 Pb\n0.201026 0.201025 0.201026 Pb\n0.000000 0.000000 0.000000 Pb\n0.679401 0.679398 0.679399 O\n0.320601 0.320600 0.320601 O\n0.731892 0.731890 0.235728 O\n0.235729 0.731890 0.731891 O\n0.731892 0.235727 0.731891 O\n0.764273 0.268108 0.268109 O\n0.268110 0.268108 0.764272 O\n0.268110 0.764272 0.268109 O\n",
"nsites": 13,
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{
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"created_at": "2022-09-04T14:37:33.970637Z",
"updated_at": "2022-09-04T14:37:33.970661Z",
"structure_string": "H4 S2 O8\n1.0\n3.793347 2.310045 -1.513822\n-3.793347 2.310045 1.513822\n-0.146926 0.000000 8.559465\nH S O\n4 2 8\ndirect\n0.520789 0.783832 0.866526 H\n0.783831 0.520789 0.633475 H\n0.479209 0.216166 0.133475 H\n0.216166 0.479209 0.366525 H\n0.932077 0.932078 0.750000 S\n0.067920 0.067921 0.250000 S\n0.721322 0.736403 0.891070 O\n0.736402 0.721322 0.608930 O\n0.278676 0.263595 0.108930 O\n0.263595 0.278676 0.391070 O\n0.255178 0.931983 0.824347 O\n0.931982 0.255178 0.675653 O\n0.744820 0.068016 0.175653 O\n0.068015 0.744820 0.324347 O\n",
"nsites": 14,
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"volume": 148.9821991291016,
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"formula_full": "H4 S2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 15
},
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
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{
"id": "jvasp-37645",
"created_at": "2022-09-04T14:38:04.309362Z",
"updated_at": "2022-09-04T14:38:04.309378Z",
"structure_string": "Sc3 P1\n1.0\n-2.019500 2.019500 4.717859\n2.019500 -2.019500 4.717859\n2.019500 2.019500 -4.717859\nSc P\n3 1\ndirect\n0.750001 0.250000 0.500001 Sc\n0.250000 0.750001 0.500001 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 P\n",
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"density_atomic": 0.05197174845222083,
"volume": 76.964891871539,
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{
"id": "jvasp-106849",
"created_at": "2022-09-04T14:36:53.927778Z",
"updated_at": "2022-09-04T14:36:53.927802Z",
"structure_string": "Ba2 Mn1 Nb1 O6\n1.0\n4.997575 -0.000000 2.885351\n1.665858 4.711758 2.885351\n-0.000000 -0.000000 5.770702\nBa Mn Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Nb\n0.751059 0.248940 0.248940 O\n0.248940 0.751060 0.751059 O\n0.248940 0.248940 0.751060 O\n0.751059 0.751060 0.248940 O\n0.248940 0.751060 0.248940 O\n0.751059 0.248940 0.751060 O\n",
"nsites": 10,
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"density_atomic": 0.0735917372272753,
"volume": 135.88482045364327,
"volume_molar": 8.183175159191668,
"formula_full": "Ba2 Mn1 Nb1 O6",
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{
"id": "jvasp-15892",
"created_at": "2022-09-04T14:38:28.851592Z",
"updated_at": "2022-09-04T14:38:28.851624Z",
"structure_string": "Sc3 B1 Pb1\n1.0\n4.663094 0.000000 0.000000\n0.000000 4.663094 0.000000\n-0.000000 0.000000 4.663094\nSc B Pb\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.000000 0.000000 Pb\n",
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"spacegroup": 221
},
{
"id": "jvasp-12668",
"created_at": "2022-09-04T14:37:08.605689Z",
"updated_at": "2022-09-04T14:37:08.605718Z",
"structure_string": "V2 Pb3 O8\n1.0\n5.260932 0.010660 2.123946\n1.535864 5.031763 2.123946\n0.019665 0.014589 7.522806\nV Pb O\n2 3 8\ndirect\n0.587144 0.597986 0.205265 V\n0.402014 0.412855 0.794737 V\n0.168602 0.270291 0.388183 Pb\n0.729709 0.831398 0.611819 Pb\n-0.002802 0.002802 0.000000 Pb\n0.673350 0.777073 0.960477 O\n0.222927 0.326650 0.039525 O\n0.753479 0.654393 0.329940 O\n0.345607 0.246521 0.670062 O\n0.660025 0.255029 0.239955 O\n0.295414 0.756960 0.701981 O\n0.243040 0.704586 0.298021 O\n0.744971 0.339974 0.760046 O\n",
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"formula_full": "V2 Pb3 O8",
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"formula_anonymous": "A2B3C8",
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"spacegroup": 5
},
{
"id": "jvasp-119588",
"created_at": "2022-09-04T14:38:51.754848Z",
"updated_at": "2022-09-04T14:38:51.754871Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.812718 0.101589 -0.278694\n-0.133046 5.675239 0.686121\n0.007166 -0.103930 14.368233\nLi Mn Co O\n8 2 4 14\ndirect\n0.998594 0.495028 0.997142 Li\n0.575117 0.213727 0.150027 Li\n0.153546 0.940293 0.306943 Li\n0.424509 0.783142 0.849061 Li\n0.854246 0.075529 0.708496 Li\n0.277971 0.351143 0.556342 Li\n0.715377 0.641596 0.430859 Li\n0.715354 0.146286 0.430765 Li\n-0.000915 -0.002645 0.998123 Mn\n0.572574 0.713811 0.144950 Mn\n0.856629 0.570083 0.713349 Co\n0.428119 0.284563 0.856198 Co\n0.144923 0.424727 0.289622 Co\n0.284153 0.862645 0.568615 Co\n0.790135 0.625802 0.580015 O\n0.497427 0.231718 0.995260 O\n0.067683 0.951887 0.135653 O\n0.638365 0.668633 0.277042 O\n0.925305 0.512816 0.851070 O\n0.353932 0.799184 0.708448 O\n0.786170 0.083556 0.573129 O\n0.208759 0.400902 0.417470 O\n0.502039 0.760508 0.003553 O\n0.072931 0.483272 0.145204 O\n0.643337 0.206027 0.285953 O\n0.931668 0.048348 0.862793 O\n0.361489 0.339747 0.722624 O\n0.220568 0.887675 0.441295 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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{
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"created_at": "2022-09-04T14:37:02.467546Z",
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"structure_string": "Na1 Cr2 S4\n1.0\n6.920791 -0.028267 2.189986\n6.110496 3.249612 2.189986\n-0.030507 -0.007541 5.618116\nNa Cr S\n1 2 4\ndirect\n0.500000 0.499999 0.500001 Na\n0.752168 0.752166 0.204161 Cr\n0.247833 0.247833 0.795841 Cr\n0.361044 0.361043 0.005136 S\n0.638957 0.638956 0.994867 S\n0.839120 0.839118 0.517345 S\n0.160881 0.160881 0.482657 S\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-40525",
"created_at": "2022-09-04T14:37:47.492323Z",
"updated_at": "2022-09-04T14:37:47.492342Z",
"structure_string": "Sc2 Cu1 Os1\n1.0\n-0.000000 3.221465 3.221465\n3.221465 -0.000000 3.221465\n3.221465 3.221465 0.000000\nSc Cu Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500001 0.500001 0.500001 Sc\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Os\n",
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}
]
}