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{
"id": "jvasp-34390",
"created_at": "2022-09-04T14:38:30.622581Z",
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"structure_string": "Si2 P4 O14\n1.0\n2.369543 -4.104168 0.000000\n2.369543 4.104168 0.000000\n-0.000000 0.000000 12.115354\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333332 0.666666 0.879677 P\n0.666666 0.333332 0.120322 P\n0.666666 0.333332 0.379677 P\n0.333332 0.666666 0.620322 P\n0.938587 0.268865 0.413761 O\n0.731133 0.669721 0.413761 O\n0.669721 0.938587 0.586239 O\n0.938587 0.268865 0.086239 O\n0.061412 0.731134 0.913761 O\n0.330278 0.061412 0.413761 O\n0.669721 0.938587 0.913761 O\n0.333332 0.666666 0.750000 O\n0.268866 0.330278 0.913761 O\n0.268866 0.330278 0.586239 O\n0.330278 0.061412 0.086239 O\n0.731133 0.669721 0.086239 O\n0.061412 0.731134 0.586239 O\n0.666666 0.333332 0.250000 O\n",
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{
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"structure_string": "Sn2 H8 C4 F4\n1.0\n4.215579 0.271648 -1.056594\n-1.567870 5.868931 -1.300989\n0.241601 0.258922 7.102585\nSn H C F\n2 8 4 4\ndirect\n0.978834 0.628740 0.541511 Sn\n0.914130 0.109083 0.027609 Sn\n0.664590 0.232375 0.715440 H\n0.300989 0.566669 0.879680 H\n0.243356 0.321544 0.692650 H\n0.739187 0.466375 0.914411 H\n0.898714 0.026671 0.480699 H\n0.693325 0.757670 0.145742 H\n0.095990 0.750895 0.130940 H\n0.298106 -0.003562 0.468507 H\n0.123399 0.443434 0.764882 C\n0.849378 0.342271 0.836324 C\n0.045642 0.918696 0.415609 C\n0.939144 0.851044 0.194907 C\n0.783372 0.841331 0.773664 F\n0.485989 0.555755 0.453182 F\n0.895576 0.362159 0.289524 F\n0.398106 0.076092 0.990219 F\n",
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{
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"created_at": "2022-09-04T14:36:11.142241Z",
"updated_at": "2022-09-04T14:36:11.142251Z",
"structure_string": "Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
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"spacegroup": 216
},
{
"id": "jvasp-115467",
"created_at": "2022-09-04T14:38:45.151369Z",
"updated_at": "2022-09-04T14:38:45.151385Z",
"structure_string": "Bi1 B1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nBi B O\n1 1 1\ndirect\n0.310566 -0.010905 0.000000 Bi\n-0.022391 -0.062758 0.000000 B\n-0.018820 0.229801 0.000000 O\n",
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"volume": 199.80616264347475,
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},
{
"id": "jvasp-59273",
"created_at": "2022-09-04T14:38:12.371337Z",
"updated_at": "2022-09-04T14:38:12.371357Z",
"structure_string": "Zn3 Ga1 B6 P1 O12\n1.0\n6.628302 0.000000 0.000000\n-2.209435 6.282905 0.000000\n-2.209435 -3.141453 5.441155\nZn Ga B P O\n3 1 6 1 12\ndirect\n0.000049 0.000001 0.665286 Zn\n0.000048 0.665285 -0.000000 Zn\n0.334764 0.334714 0.334715 Zn\n0.654529 -0.000000 -0.000000 Ga\n0.750351 0.247878 0.501676 B\n0.248676 0.746202 0.498325 B\n0.502473 0.752122 0.253798 B\n0.248676 0.498325 0.746203 B\n0.502474 0.253798 0.752123 B\n0.750351 0.501675 0.247878 B\n0.993740 -0.000000 -0.000000 P\n-0.000024 0.431474 0.713165 O\n0.720456 0.427072 -0.000000 O\n0.706950 0.275920 0.275920 O\n0.568501 0.568526 0.281691 O\n0.568501 0.281691 0.568526 O\n0.431030 0.724080 -0.000000 O\n0.286810 0.718309 0.286835 O\n0.293384 0.572928 0.572928 O\n0.431030 0.000001 0.724081 O\n-0.000025 0.713165 0.431474 O\n0.720457 0.000000 0.427073 O\n0.286811 0.286836 0.718310 O\n",
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{
"id": "jvasp-39274",
"created_at": "2022-09-04T14:37:56.194019Z",
"updated_at": "2022-09-04T14:37:56.194040Z",
"structure_string": "Lu1 Th3\n1.0\n5.039086 -0.000000 0.000000\n-0.000000 5.039086 0.000000\n-0.000000 -0.000000 5.039086\nLu Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
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"volume": 127.95442544322398,
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"formula_full": "Lu1 Th3",
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},
{
"id": "jvasp-115009",
"created_at": "2022-09-04T14:38:44.054699Z",
"updated_at": "2022-09-04T14:38:44.054719Z",
"structure_string": "Si1 Ge1 N1\n1.0\n3.105200 -0.000000 0.000000\n0.000000 3.105200 0.000000\n0.000000 -0.000000 7.084627\nSi Ge N\n1 1 1\ndirect\n0.000000 -0.000000 -0.081371 Si\n0.000000 0.000000 0.444098 Ge\n0.000000 0.000000 0.690873 N\n",
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{
"id": "jvasp-13176",
"created_at": "2022-09-04T14:37:42.225460Z",
"updated_at": "2022-09-04T14:37:42.225483Z",
"structure_string": "Cr2 P2 O8\n1.0\n4.583069 -0.000023 2.619435\n-2.308386 5.742315 1.329665\n-0.033646 -0.000002 5.278774\nCr P O\n2 2 8\ndirect\n0.817090 0.250001 0.817091 Cr\n0.567092 0.750002 0.567091 Cr\n0.131670 0.250002 0.131673 P\n0.881670 0.750001 0.881670 P\n0.711347 0.633489 0.236907 O\n0.818845 0.070468 0.220991 O\n0.077860 0.366512 0.370393 O\n0.236907 0.866516 0.711345 O\n0.748365 0.929527 0.791468 O\n0.220993 0.429533 0.818844 O\n0.791465 0.570472 0.748369 O\n0.370393 0.133489 0.077865 O\n",
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"spacegroup": 43
},
{
"id": "jvasp-104002",
"created_at": "2022-09-04T14:36:51.255872Z",
"updated_at": "2022-09-04T14:36:51.255887Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n",
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"formula_full": "Sn2 H8 C4 F4",
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{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
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"formula_full": "Li5 Mn3 Co2 O10",
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{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
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"volume": 348.6483468877534,
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"formula_full": "Dy4 Mn8 O20",
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},
{
"id": "jvasp-112227",
"created_at": "2022-09-04T14:38:43.910889Z",
"updated_at": "2022-09-04T14:38:43.910916Z",
"structure_string": "Sn2 H8 C4 F4\n1.0\n4.262258 -0.117672 0.404784\n1.931454 4.222130 0.203370\n0.010662 -0.082455 9.454008\nSn H C F\n2 8 4 4\ndirect\n0.799270 0.229715 0.889251 Sn\n0.065823 0.736088 0.385387 Sn\n0.538261 0.139624 0.143650 H\n0.326773 0.826204 0.130974 H\n0.056442 0.626331 0.113088 H\n0.808574 0.339514 0.161547 H\n0.163561 0.166667 0.641568 H\n0.701344 0.799236 0.633028 H\n0.142138 0.631177 0.659827 H\n0.722738 0.334688 0.614828 H\n0.922223 0.137717 0.662465 C\n0.794722 0.132669 0.115401 C\n0.070315 0.833161 0.159236 C\n0.942713 0.828150 0.612164 C\n0.254830 0.255832 0.382080 F\n0.264002 0.338152 0.887524 F\n0.610279 0.709958 0.892580 F\n0.601078 0.627613 0.387116 F\n",
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}