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{
"id": "jvasp-90836",
"created_at": "2022-09-04T14:36:17.731491Z",
"updated_at": "2022-09-04T14:36:17.731508Z",
"structure_string": "Ce2 As2 Ru2 O2\n1.0\n4.108097 -0.000000 0.000000\n0.000000 4.108097 -0.000000\n0.000000 -0.000000 8.013324\nCe As Ru O\n2 2 2 2\ndirect\n0.750001 0.750001 0.853824 Ce\n0.250000 0.250000 0.146176 Ce\n0.750001 0.750001 0.336086 As\n0.250000 0.250000 0.663913 As\n0.750001 0.250000 0.500000 Ru\n0.250000 0.750001 0.500000 Ru\n0.750001 0.250000 0.000000 O\n0.250000 0.750001 0.000000 O\n",
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{
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"structure_string": "K2 Y1 Ag1 Br6\n1.0\n6.805918 -0.000000 3.929399\n2.268640 6.416681 3.929399\n-0.000000 -0.000000 7.858797\nK Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748462 0.251538 0.251538 Br\n0.251538 0.251538 0.748462 Br\n0.251538 0.748462 0.748462 Br\n0.251538 0.748462 0.251538 Br\n0.748462 0.251538 0.748462 Br\n0.748462 0.748462 0.251538 Br\n",
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{
"id": "jvasp-34276",
"created_at": "2022-09-04T14:36:34.075815Z",
"updated_at": "2022-09-04T14:36:34.075836Z",
"structure_string": "Ba2 Ta1 Bi1 O6\n1.0\n5.307692 -0.000001 3.064398\n1.769231 5.004097 3.064398\n0.000000 0.000000 6.128796\nBa Ta Bi O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 -0.000000 Bi\n0.730865 0.730866 0.269135 O\n0.269134 0.730866 0.730866 O\n0.269134 0.730866 0.269135 O\n0.269134 0.269136 0.730866 O\n0.730864 0.269135 0.269135 O\n0.730864 0.269135 0.730866 O\n",
"nsites": 10,
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"spacegroup": 225
},
{
"id": "jvasp-61305",
"created_at": "2022-09-04T14:36:17.277896Z",
"updated_at": "2022-09-04T14:36:17.277917Z",
"structure_string": "Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n",
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{
"id": "jvasp-103106",
"created_at": "2022-09-04T14:36:33.226729Z",
"updated_at": "2022-09-04T14:36:33.226756Z",
"structure_string": "Dy1 Mn2 Si1 Ge1\n1.0\n3.696509 0.003197 -4.677054\n-0.443796 3.669773 -4.677054\n-0.002831 -0.003197 5.961460\nDy Mn Si Ge\n1 2 1 1\ndirect\n0.997431 0.997431 0.000000 Dy\n0.753862 0.253862 0.500001 Mn\n0.253861 0.753861 0.499999 Mn\n0.377289 0.377289 0.000000 Si\n0.617554 0.617555 0.000000 Ge\n",
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"volume": 80.76728693903034,
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{
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"created_at": "2022-09-04T14:36:37.160475Z",
"updated_at": "2022-09-04T14:36:37.160507Z",
"structure_string": "Yb1 Mn1 Cu1 P2\n1.0\n3.900633 0.000000 -0.000000\n-1.950316 3.378047 0.000000\n-0.000000 0.000000 6.510526\nYb Mn Cu P\n1 1 1 2\ndirect\n0.333332 0.666668 0.990394 Yb\n0.000000 -0.000000 0.376871 Mn\n0.666666 0.333333 0.634891 Cu\n0.666666 0.333333 0.272856 P\n0.000000 -0.000000 0.724989 P\n",
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},
{
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"created_at": "2022-09-04T14:36:17.235041Z",
"updated_at": "2022-09-04T14:36:17.235073Z",
"structure_string": "Pr2 Zn2 P2 O2\n1.0\n3.957608 0.003619 9.977058\n1.909492 3.466483 9.977058\n0.006119 0.003619 10.733327\nPr Zn P O\n2 2 2 2\ndirect\n0.618406 0.618406 0.618406 Pr\n0.381594 0.381594 0.381594 Pr\n0.196376 0.196376 0.196376 Zn\n0.803624 0.803624 0.803624 Zn\n0.114482 0.114482 0.114482 P\n0.885519 0.885518 0.885519 P\n0.694984 0.694984 0.694984 O\n0.305016 0.305016 0.305016 O\n",
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"volume": 146.89077766924044,
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"formula_full": "Pr2 Zn2 P2 O2",
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"formula_anonymous": "ABCD",
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"spacegroup": 166
},
{
"id": "jvasp-97762",
"created_at": "2022-09-04T14:36:11.685786Z",
"updated_at": "2022-09-04T14:36:11.685806Z",
"structure_string": "U2 H24 N4 O28\n1.0\n6.368628 3.924644 0.000000\n-6.368628 3.924644 0.000000\n-0.000000 0.000000 11.192078\nU H N O\n2 24 4 28\ndirect\n0.863536 0.863536 0.749542 U\n0.136463 0.136463 0.249542 U\n0.090986 0.618829 0.019035 H\n0.381170 0.909013 0.519035 H\n0.909013 0.381170 0.519035 H\n0.651742 0.911538 0.079856 H\n0.911538 0.651742 0.079856 H\n0.348257 0.088461 0.579856 H\n0.088461 0.348257 0.579856 H\n0.607141 0.201494 0.467992 H\n0.201494 0.607141 0.467992 H\n0.392858 0.798505 0.967992 H\n0.798505 0.392858 0.967992 H\n0.426114 0.685804 0.420998 H\n0.685804 0.426114 0.420998 H\n0.573885 0.314194 0.920998 H\n0.314194 0.573885 0.920998 H\n0.306541 0.843295 0.306594 H\n0.843295 0.306541 0.306594 H\n0.693458 0.156703 0.806594 H\n0.156703 0.693458 0.806594 H\n0.411614 0.949483 0.178674 H\n0.949483 0.411614 0.178674 H\n0.588385 0.050515 0.678674 H\n0.050515 0.588385 0.678674 H\n0.618829 0.090986 0.019035 H\n0.794092 0.794092 0.367408 N\n0.205907 0.205907 0.867408 N\n0.506019 0.506019 0.663688 N\n0.493980 0.493980 0.163688 N\n0.960736 0.552954 0.063988 O\n0.447045 0.039263 0.563988 O\n0.039263 0.447045 0.563988 O\n0.314021 0.720710 0.425899 O\n0.720710 0.314021 0.425899 O\n0.685978 0.279289 0.925899 O\n0.279289 0.685978 0.925899 O\n0.313368 0.940674 0.242662 O\n0.940674 0.313368 0.242662 O\n0.686631 0.059325 0.742662 O\n0.059325 0.686631 0.742662 O\n0.229458 0.229458 0.397495 O\n0.770541 0.770541 0.897495 O\n0.954956 0.954956 0.600545 O\n0.785273 0.956057 0.342147 O\n0.956057 0.785273 0.342147 O\n0.214726 0.043942 0.842147 O\n0.043942 0.214726 0.842147 O\n0.494380 0.323476 0.177845 O\n0.323476 0.494380 0.177845 O\n0.505619 0.676523 0.677845 O\n0.676523 0.505619 0.677845 O\n0.647868 0.647868 0.412995 O\n0.352131 0.352131 0.912995 O\n0.647935 0.647935 0.139552 O\n0.352064 0.352064 0.639552 O\n0.045042 0.045042 0.100544 O\n0.552954 0.960736 0.063988 O\n",
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"formula_full": "U2 H24 N4 O28",
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{
"id": "jvasp-48530",
"created_at": "2022-09-04T14:36:17.217956Z",
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"structure_string": "Li14 V2 O10 F2\n1.0\n5.498529 -0.014894 0.012804\n2.705614 4.794354 0.006311\n0.262444 0.077571 10.615456\nLi V O F\n14 2 10 2\ndirect\n0.362847 0.984192 0.756893 Li\n0.368118 0.026849 0.128300 Li\n0.612666 0.384244 0.128123 Li\n0.313163 0.345221 0.933908 Li\n0.345465 0.312874 0.409043 Li\n0.007574 0.349610 0.257984 Li\n0.268708 0.686378 0.266156 Li\n0.702554 0.001075 0.261071 Li\n0.706976 0.290544 0.768847 Li\n0.955231 0.727805 0.758427 Li\n0.668905 0.648877 0.908179 Li\n0.652811 0.669915 0.433139 Li\n0.394241 0.626764 0.630799 Li\n0.996356 0.384907 0.626605 Li\n0.002137 0.985353 0.996236 V\n0.988121 -0.001315 0.496890 V\n0.001372 0.030581 0.169278 O\n0.681815 0.298313 0.952083 O\n0.317048 -0.006576 0.948165 O\n0.357406 0.320191 0.220438 O\n0.987918 0.316405 0.447516 O\n0.302509 0.679986 0.452968 O\n0.679253 0.634684 0.719426 O\n0.697658 0.985674 0.438448 O\n0.032470 -0.000332 0.669668 O\n0.989929 0.694943 0.937053 O\n0.634885 0.681013 0.216892 F\n0.319493 0.355589 0.717221 F\n",
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{
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"created_at": "2022-09-04T14:36:17.181186Z",
"updated_at": "2022-09-04T14:36:17.181216Z",
"structure_string": "Ce1 Cr2 Si2 C1\n1.0\n3.993762 -0.000000 0.000000\n0.000000 3.993762 0.000000\n-0.000000 -0.000000 5.269149\nCe Cr Si C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.771042 Si\n0.500000 0.500000 0.228958 Si\n0.000000 0.000000 0.500000 C\n",
"nsites": 6,
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],
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},
{
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"created_at": "2022-09-04T14:36:33.220564Z",
"updated_at": "2022-09-04T14:36:33.220582Z",
"structure_string": "Rb2 Sm4 Cu2 Se8\n1.0\n4.189278 -0.000000 -0.000000\n-2.094638 7.196648 0.000000\n0.000000 -0.000000 14.526477\nRb Sm Cu Se\n2 4 2 8\ndirect\n0.109910 0.219821 0.750000 Rb\n0.890090 0.780179 0.250000 Rb\n0.634367 0.268734 0.063354 Sm\n0.365633 0.731266 0.936647 Sm\n0.634367 0.268734 0.436647 Sm\n0.365633 0.731266 0.563354 Sm\n0.838704 0.677408 0.750000 Cu\n0.161296 0.322592 0.250000 Cu\n0.568043 0.136086 0.250000 Se\n0.431957 0.863914 0.750000 Se\n0.264028 0.528056 0.112255 Se\n0.735972 0.471944 0.887746 Se\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.264028 0.528056 0.387745 Se\n0.735972 0.471944 0.612255 Se\n",
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{
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"created_at": "2022-09-04T14:36:37.103583Z",
"updated_at": "2022-09-04T14:36:37.103619Z",
"structure_string": "Li4 Fe6 Sb2 O16\n1.0\n5.706186 0.000146 0.000046\n-2.852962 4.941515 -0.000173\n-0.000116 0.000088 9.588293\nLi Fe Sb O\n4 6 2 16\ndirect\n0.333340 0.666682 0.899225 Li\n-0.000033 0.000040 0.992253 Li\n0.000018 -0.000010 0.492251 Li\n0.666662 0.333348 0.399223 Li\n0.826191 0.652329 0.715647 Fe\n0.347693 0.173835 0.715645 Fe\n0.826194 0.173835 0.715651 Fe\n0.173809 0.347686 0.215647 Fe\n0.173813 0.826188 0.215645 Fe\n0.652310 0.826189 0.215648 Fe\n0.333345 0.666672 0.493663 Sb\n0.666655 0.333356 0.993662 Sb\n0.316705 0.158387 0.100387 O\n0.841613 0.683303 0.100390 O\n0.666682 0.333326 0.605073 O\n0.515387 0.030710 0.836775 O\n0.515368 0.484667 0.836760 O\n0.683299 0.841637 0.600391 O\n0.484636 0.515364 0.336764 O\n0.030689 0.515377 0.336773 O\n0.158377 0.316720 0.600396 O\n0.000039 0.000001 0.805265 O\n-0.000018 0.000020 0.305262 O\n0.333308 0.666682 0.105073 O\n0.969308 0.484640 0.836784 O\n0.158385 0.841626 0.600411 O\n0.484623 0.969312 0.336774 O\n0.841605 0.158386 0.100411 O\n",
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]
}