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{
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{
"id": "jvasp-11324",
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"updated_at": "2022-09-04T14:37:17.282672Z",
"structure_string": "Mg2 Ti3 O8\n1.0\n4.731643 -0.004986 -1.487113\n-0.873803 5.193332 -2.797649\n-0.093050 -0.211278 5.992391\nMg Ti O\n2 3 8\ndirect\n0.652864 0.723713 0.447427 Mg\n0.347134 0.276287 0.552573 Mg\n0.500000 0.999998 -0.000000 Ti\n0.999999 0.732869 -0.000000 Ti\n0.999998 0.267129 -0.000000 Ti\n0.079937 0.394028 0.788057 O\n0.920063 0.605969 0.211942 O\n0.080547 0.891515 0.783031 O\n0.919453 0.108483 0.216968 O\n0.406507 0.341596 0.231200 O\n0.406507 0.889603 0.231200 O\n0.593493 0.110395 0.768800 O\n0.593494 0.658403 0.768799 O\n",
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{
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"structure_string": "Mg4 Ti4 O8\n1.0\n2.849096 0.000093 0.000082\n1.424407 8.402621 0.048337\n1.423901 1.693062 8.209003\nMg Ti O\n4 4 8\ndirect\n0.614688 0.967094 0.803639 Mg\n0.389471 0.052985 0.168159 Mg\n0.933257 0.259804 0.873766 Mg\n0.070927 0.760275 0.098040 Mg\n0.339603 0.845860 0.475058 Ti\n0.787290 0.616239 0.809286 Ti\n0.216884 0.403842 0.162500 Ti\n0.664518 0.174230 0.496742 Ti\n0.141225 0.332966 0.384620 O\n0.653114 0.587607 0.106311 O\n0.351057 0.432472 0.865498 O\n0.862912 0.687115 0.587167 O\n0.916800 0.880452 0.286045 O\n0.183787 0.787200 0.845343 O\n0.087337 0.139641 0.685755 O\n0.820380 0.232876 0.126453 O\n",
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},
{
"id": "jvasp-10317",
"created_at": "2022-09-04T14:37:18.525104Z",
"updated_at": "2022-09-04T14:37:18.525123Z",
"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
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"formula_full": "Mg2 Ti4 O10",
"formula_reduced": "MgTi2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-9438",
"created_at": "2022-09-04T14:36:50.125456Z",
"updated_at": "2022-09-04T14:36:50.125490Z",
"structure_string": "Mg2 Ti2 O6\n1.0\n4.509343 -0.002424 3.155423\n1.641928 4.199791 3.155423\n-0.003552 -0.002424 5.503712\nMg Ti O\n2 2 6\ndirect\n0.354618 0.354619 0.354618 Mg\n0.645381 0.645383 0.645380 Mg\n0.143758 0.143758 0.143758 Ti\n0.856242 0.856243 0.856240 Ti\n0.048795 0.772856 0.437609 O\n0.772855 0.437610 0.048794 O\n0.437609 0.048796 0.772855 O\n0.951205 0.227146 0.562389 O\n0.562390 0.951206 0.227143 O\n0.227145 0.562391 0.951204 O\n",
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"formula_full": "Mg2 Ti2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-119062",
"created_at": "2022-09-04T14:38:50.539138Z",
"updated_at": "2022-09-04T14:38:50.539162Z",
"structure_string": "Mg4 Ti8 O16\n1.0\n6.006263 -0.000000 0.000000\n0.000000 6.006263 0.000000\n-0.000000 -0.000000 8.494736\nMg Ti O\n4 8 16\ndirect\n0.250003 0.749997 0.750000 Mg\n0.749997 0.250003 0.250000 Mg\n0.249997 0.249997 0.500000 Mg\n0.750003 0.750003 -0.000000 Mg\n0.999954 0.250005 0.874999 Ti\n0.000046 0.749995 0.374999 Ti\n0.750005 0.500045 0.624999 Ti\n0.249995 0.499954 0.124999 Ti\n0.749995 0.000046 0.625001 Ti\n0.500045 0.750005 0.375001 Ti\n0.499954 0.249995 0.875002 Ti\n0.250005 0.999954 0.125001 Ti\n0.749957 0.484020 0.867015 O\n0.484020 0.749957 0.132985 O\n0.515979 0.250043 0.632986 O\n0.015979 0.249957 0.117015 O\n0.984020 0.750042 0.617015 O\n0.250043 0.515979 0.367015 O\n0.484021 0.249965 0.117004 O\n0.015979 0.749964 0.132996 O\n0.250035 0.984021 0.367004 O\n0.749964 0.015979 0.867004 O\n0.249965 0.484021 0.882997 O\n0.750035 0.515979 0.382996 O\n0.750042 0.984020 0.382985 O\n0.984021 0.250035 0.632997 O\n0.515979 0.750035 0.617004 O\n0.249957 0.015979 0.882986 O\n",
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"formula_full": "Mg4 Ti8 O16",
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"spacegroup": 227
},
{
"id": "jvasp-107546",
"created_at": "2022-09-04T14:36:58.651683Z",
"updated_at": "2022-09-04T14:36:58.651719Z",
"structure_string": "Mg1 Ti2 Zn1 O6\n1.0\n4.515009 -0.002754 3.157940\n1.643495 4.205263 3.157940\n-0.004035 -0.002754 5.509798\nMg Ti Zn O\n1 2 1 6\ndirect\n0.354882 0.354883 0.354882 Mg\n0.144280 0.144280 0.144280 Ti\n0.853903 0.853904 0.853903 Ti\n0.638307 0.638308 0.638307 Zn\n0.955688 0.223636 0.563588 O\n0.223634 0.563589 0.955689 O\n0.563589 0.955688 0.223634 O\n0.055597 0.771816 0.438305 O\n0.771816 0.438306 0.055596 O\n0.438305 0.055597 0.771816 O\n",
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"formula_full": "Mg1 Ti2 Zn1 O6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 146
},
{
"id": "jvasp-109387",
"created_at": "2022-09-04T14:38:05.716910Z",
"updated_at": "2022-09-04T14:38:05.716941Z",
"structure_string": "Mg1 U2 O6\n1.0\n4.758501 -0.022099 -4.237173\n-0.509356 3.558529 -5.260693\n0.012376 0.022099 6.371563\nMg U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.662881 0.662882 0.000000 U\n0.337118 0.337118 0.000000 U\n0.745111 0.500000 0.245111 O\n0.419808 0.168669 0.251139 O\n0.082468 0.831331 0.251139 O\n0.254889 0.500000 0.754889 O\n0.917532 0.168669 0.748862 O\n0.580192 0.831331 0.748862 O\n",
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},
{
"id": "jvasp-10186",
"created_at": "2022-09-04T14:37:17.150475Z",
"updated_at": "2022-09-04T14:37:17.150494Z",
"structure_string": "Mg2 U2 O8\n1.0\n5.440017 0.023073 -2.040610\n-2.868347 4.769570 -1.667990\n-0.003970 -0.023073 5.810151\nMg U O\n2 2 8\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.034616 0.250000 0.284616 U\n0.965383 0.750000 0.715383 U\n0.807833 0.475138 0.282972 O\n0.192167 0.524862 0.717028 O\n0.807833 0.024861 0.832695 O\n0.192166 0.975139 0.167304 O\n0.731617 0.948738 0.282880 O\n0.665858 0.448738 0.717120 O\n0.334142 0.551261 0.282880 O\n0.268382 0.051262 0.717120 O\n",
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{
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"updated_at": "2022-09-04T14:37:17.452854Z",
"structure_string": "Mg2 V4 O8\n1.0\n2.824079 0.000000 0.000000\n-1.412040 4.813025 -0.000000\n0.000000 -0.000000 9.871465\nMg V O\n2 4 8\ndirect\n0.382432 0.764865 0.750000 Mg\n0.617568 0.235136 0.250000 Mg\n0.869332 0.738664 0.072532 V\n0.130669 0.261337 0.927469 V\n0.869332 0.738664 0.427469 V\n0.130669 0.261337 0.572532 V\n0.225165 0.450331 0.383443 O\n0.774835 0.549670 0.616558 O\n0.774835 0.549670 0.883443 O\n0.225165 0.450331 0.116557 O\n0.961536 0.923073 0.250000 O\n0.038465 0.076928 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:18.953693Z",
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"structure_string": "Mg2 V4 O10\n1.0\n0.000000 4.837904 -0.000236\n3.377147 0.000000 0.000000\n0.000000 -0.000687 -11.496709\nMg V O\n2 4 10\ndirect\n0.179170 0.500000 0.250021 Mg\n0.820829 0.000000 0.750018 Mg\n0.613638 0.000000 0.098739 V\n0.386353 0.500000 0.901258 V\n0.386354 0.500000 0.598736 V\n0.613650 0.000000 0.401261 V\n0.563224 0.500000 0.750000 O\n0.436775 0.000000 0.250001 O\n0.433800 0.500000 0.075012 O\n0.566205 0.000000 0.924980 O\n0.433797 0.500000 0.424980 O\n0.566196 0.000000 0.575012 O\n0.949163 0.000000 0.365500 O\n0.050847 0.500000 0.634493 O\n0.050842 0.500000 0.865493 O\n0.949148 0.000000 0.134500 O\n",
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{
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"updated_at": "2022-09-04T14:37:12.157580Z",
"structure_string": "Mg2 V4 O8\n1.0\n6.006983 -0.050465 -0.035684\n2.959788 5.126503 0.000000\n2.959788 1.708834 4.833313\nMg V O\n2 4 8\ndirect\n0.992092 0.002636 0.002636 Mg\n0.123444 0.625518 0.625518 Mg\n0.250977 0.249674 0.249674 V\n0.627102 0.116997 0.627950 V\n0.627102 0.627950 0.116997 V\n0.627103 0.627949 0.627950 V\n0.389149 0.377346 0.377346 O\n0.389149 0.377345 0.856159 O\n0.389149 0.856158 0.377346 O\n0.857240 0.380920 0.380921 O\n0.396596 0.867800 0.867800 O\n0.860300 0.404554 0.867573 O\n0.860299 0.867573 0.404554 O\n0.860300 0.867572 0.867573 O\n",
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"formula_full": "Mg2 V4 O8",
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"spacegroup": 160
},
{
"id": "jvasp-10930",
"created_at": "2022-09-04T14:37:20.076331Z",
"updated_at": "2022-09-04T14:37:20.076356Z",
"structure_string": "Mg3 V2 O8\n1.0\n5.228318 -0.000000 3.018571\n1.742773 4.929305 3.018571\n0.150905 0.106706 5.775766\nMg V O\n3 2 8\ndirect\n0.500001 0.000000 0.500000 Mg\n-0.000000 0.500001 0.500000 Mg\n0.500000 0.500001 0.500000 Mg\n0.124162 0.124162 0.127514 V\n0.875838 0.875839 0.872485 V\n0.762829 0.762830 0.746681 O\n0.255920 0.255920 0.732241 O\n0.237170 0.772340 0.253319 O\n0.772340 0.237171 0.253318 O\n0.762830 0.227661 0.746681 O\n0.227661 0.762830 0.746681 O\n0.237171 0.237171 0.253319 O\n0.744080 0.744081 0.267759 O\n",
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}
]
}