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{
"id": "jvasp-26631",
"created_at": "2022-09-04T14:37:46.456136Z",
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"structure_string": "Na4 Sb4 F16\n1.0\n0.000000 8.019077 -0.050060\n5.658065 0.000000 0.000000\n0.000000 -0.032043 -8.427875\nNa Sb F\n4 4 16\ndirect\n0.855292 0.793956 0.672695 Na\n0.144709 0.293955 0.827304 Na\n0.855291 0.706046 0.172695 Na\n0.144709 0.206045 0.327305 Na\n0.665629 0.295707 0.857974 Sb\n0.334372 0.795707 0.642025 Sb\n0.334372 0.704294 0.142025 Sb\n0.665628 0.204293 0.357974 Sb\n0.185815 0.084515 0.582375 F\n0.404295 0.502582 0.800933 F\n0.293182 0.944092 0.856299 F\n0.888143 0.130989 0.826163 F\n0.595706 0.497419 0.199067 F\n0.706819 0.055909 0.143701 F\n0.706819 0.444092 0.643700 F\n0.814186 0.915486 0.417624 F\n0.595706 0.002582 0.699066 F\n0.111858 0.869011 0.173837 F\n0.888142 0.369011 0.326163 F\n0.404295 -0.002582 0.300933 F\n0.111858 0.630990 0.673837 F\n0.814186 0.584515 0.917624 F\n0.185814 0.415486 0.082376 F\n0.293182 0.555909 0.356299 F\n",
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{
"id": "jvasp-42526",
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"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.777126 0.034066\n12.391761 0.000000 0.000000\n0.000000 -3.278803 -5.360747\nNa Mn O\n12 4 12\ndirect\n0.427805 0.777237 0.138151 Na\n0.467307 0.515138 0.245592 Na\n0.532693 0.015138 0.254407 Na\n0.572196 0.277237 0.361848 Na\n0.948416 0.399415 0.289965 Na\n0.051585 0.899415 0.210035 Na\n0.948416 0.100585 0.789965 Na\n0.051585 0.600585 0.710035 Na\n0.427805 0.722763 0.638151 Na\n0.467308 0.984862 0.745593 Na\n0.532694 0.484862 0.754407 Na\n0.572196 0.222763 0.861849 Na\n0.098630 0.339870 0.828381 Mn\n0.901371 0.839870 0.671619 Mn\n0.098630 0.160130 0.328380 Mn\n0.901371 0.660130 0.171619 Mn\n0.531145 0.629860 0.990905 O\n0.814708 0.066797 0.119253 O\n0.059529 0.264121 0.072937 O\n0.531144 0.870140 0.490905 O\n0.940472 0.764121 0.427063 O\n0.814709 0.433203 0.619253 O\n0.185292 0.566797 0.380747 O\n0.059529 0.235879 0.572937 O\n0.468857 0.129860 0.509095 O\n0.940472 0.735879 0.927063 O\n0.185293 0.933203 0.880747 O\n0.468856 0.370140 0.009095 O\n",
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"formula_full": "Na12 Mn4 O12",
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"spacegroup": 14
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{
"id": "jvasp-111625",
"created_at": "2022-09-04T14:38:50.607324Z",
"updated_at": "2022-09-04T14:38:50.607347Z",
"structure_string": "Tb10 Pt6\n1.0\n8.439372 0.000000 -0.000000\n-4.219686 7.308711 -0.000000\n0.000000 0.000000 6.198571\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.753972 0.753972 0.750000 Tb\n0.246028 0.000000 0.750000 Tb\n-0.000000 0.246028 0.750000 Tb\n0.246028 0.246028 0.250000 Tb\n0.753972 0.000000 0.250000 Tb\n-0.000000 0.753972 0.250000 Tb\n0.393039 0.393039 0.750000 Pt\n0.606960 0.000000 0.750000 Pt\n-0.000000 0.606961 0.750000 Pt\n0.606960 0.606961 0.250000 Pt\n0.393039 0.000000 0.250000 Pt\n-0.000000 0.393039 0.250000 Pt\n",
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{
"id": "jvasp-99675",
"created_at": "2022-09-04T14:36:34.534134Z",
"updated_at": "2022-09-04T14:36:34.534152Z",
"structure_string": "K2 Tl2 Br6\n1.0\n7.055073 0.000000 4.073249\n2.351691 6.651586 4.073249\n-0.000000 -0.000000 8.146496\nK Tl Br\n2 2 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.754730 0.245270 0.245270 Br\n0.245269 0.245270 0.754731 Br\n0.245269 0.754731 0.754731 Br\n0.245269 0.754731 0.245270 Br\n0.754730 0.245270 0.754731 Br\n0.754730 0.754731 0.245270 Br\n",
"nsites": 10,
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{
"id": "jvasp-50452",
"created_at": "2022-09-04T14:37:16.136776Z",
"updated_at": "2022-09-04T14:37:16.136802Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.533071 0.000000 0.000000\n-0.000000 6.289143 0.000000\n0.000000 0.000000 10.985222\nRb Mg O\n8 4 8\ndirect\n0.499850 0.637175 0.155026 Rb\n0.999849 0.362824 0.155026 Rb\n0.999849 0.862824 0.344974 Rb\n0.499850 0.137175 0.344974 Rb\n0.500150 0.862824 0.655026 Rb\n0.000150 0.137175 0.655026 Rb\n0.000150 0.637175 0.844974 Rb\n0.500150 0.362824 0.844974 Rb\n0.750000 0.499964 0.500000 Mg\n0.250000 0.500035 0.500000 Mg\n0.250000 0.000035 0.000000 Mg\n0.750000 0.999964 0.000000 Mg\n0.000030 0.829299 0.091178 O\n0.500030 0.170700 0.091178 O\n0.500030 0.670700 0.408822 O\n0.000030 0.329299 0.408822 O\n-0.000030 0.670700 0.591178 O\n0.499970 0.329299 0.591178 O\n0.499970 0.829299 0.908822 O\n-0.000030 0.170700 0.908822 O\n",
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"formula_full": "Rb8 Mg4 O8",
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{
"id": "jvasp-12180",
"created_at": "2022-09-04T14:38:32.399192Z",
"updated_at": "2022-09-04T14:38:32.399221Z",
"structure_string": "Ta2 Ni2 Te10\n1.0\n3.717606 0.000000 0.000000\n-1.858803 6.727965 0.000000\n0.000000 0.000000 15.283072\nTa Ni Te\n2 2 10\ndirect\n0.511206 0.022412 0.250000 Ta\n0.488796 0.977587 0.750000 Ta\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.394817 0.789631 0.574343 Te\n0.100705 0.201410 0.645110 Te\n0.605185 0.210368 0.425657 Te\n0.605185 0.210368 0.074343 Te\n0.394817 0.789631 0.925657 Te\n0.170722 0.341441 0.250000 Te\n0.899296 0.798589 0.145110 Te\n0.829280 0.658558 0.750000 Te\n0.100705 0.201410 0.854890 Te\n0.899296 0.798589 0.354890 Te\n",
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{
"id": "jvasp-49833",
"created_at": "2022-09-04T14:37:13.003204Z",
"updated_at": "2022-09-04T14:37:13.003218Z",
"structure_string": "Sr1 Ca2 I6\n1.0\n3.931942 -6.810323 0.000000\n3.931942 6.810323 -0.000000\n0.000000 0.000000 7.137323\nSr Ca I\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Ca\n0.333333 0.666667 0.500000 Ca\n0.650549 0.650549 0.749285 I\n0.349451 0.349451 0.250714 I\n0.349451 0.000000 0.749285 I\n0.650549 0.000000 0.250714 I\n0.000000 0.650549 0.250714 I\n0.000000 0.349451 0.749285 I\n",
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"volume": 382.24354481752897,
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"formula_full": "Sr1 Ca2 I6",
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},
{
"id": "jvasp-116732",
"created_at": "2022-09-04T14:38:44.740952Z",
"updated_at": "2022-09-04T14:38:44.740977Z",
"structure_string": "Na12 Fe4 O12\n1.0\n5.740055 0.024936 0.040766\n-2.438874 5.275413 -0.024774\n-0.091623 0.018119 12.597118\nNa Fe O\n12 4 12\ndirect\n0.860660 0.307608 0.778702 Na\n0.639340 0.192407 0.278691 Na\n0.238830 0.782108 0.484093 Na\n0.360641 0.807619 0.721308 Na\n0.738866 0.282083 0.015928 Na\n0.761186 0.217900 0.515903 Na\n0.295979 0.360188 0.597869 Na\n0.204043 0.139795 0.097866 Na\n0.704024 0.639811 0.402137 Na\n0.795993 0.860191 0.902129 Na\n0.261169 0.717883 0.984090 Na\n0.139344 0.692398 0.221300 Na\n0.826349 0.743155 0.663087 Fe\n0.673621 0.756836 0.163071 Fe\n0.173635 0.256840 0.336912 Fe\n0.326377 0.243174 0.836928 Fe\n0.578252 0.549011 0.772287 O\n0.921730 0.950965 0.272288 O\n0.421723 0.450994 0.227705 O\n0.078258 0.049016 0.727719 O\n0.500508 0.953670 0.126841 O\n-0.000560 0.546342 0.626837 O\n0.120120 0.300309 0.938605 O\n0.379930 0.199714 0.438601 O\n0.879903 0.699698 0.061404 O\n0.620074 0.800279 0.561392 O\n0.499489 0.046348 0.873164 O\n0.000545 0.453660 0.373154 O\n",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:36:41.393317Z",
"updated_at": "2022-09-04T14:36:41.393341Z",
"structure_string": "Ba2 Ti8 O14\n1.0\n3.250228 -5.629560 0.000000\n3.250228 5.629560 -0.000000\n0.000000 0.000000 10.444847\nBa Ti O\n2 8 14\ndirect\n0.333333 0.666667 0.534056 Ba\n0.666667 0.333333 0.034055 Ba\n0.626443 0.813222 0.193534 Ti\n0.813222 0.626443 0.693534 Ti\n0.813222 0.186779 0.693534 Ti\n0.186779 0.813222 0.193534 Ti\n0.186778 0.373558 0.193534 Ti\n0.373558 0.186778 0.693534 Ti\n0.000000 0.000000 0.441573 Ti\n0.000000 0.000000 0.941573 Ti\n0.510299 0.489702 0.229232 O\n0.489702 0.510299 0.729232 O\n0.489702 0.979402 0.729232 O\n0.979402 0.489702 0.229232 O\n0.000000 0.000000 0.255336 O\n0.000000 0.000000 0.755336 O\n0.851527 0.703054 0.518263 O\n0.148474 0.296946 0.018263 O\n0.148474 0.851527 0.018263 O\n0.851527 0.148474 0.518263 O\n0.020598 0.510299 0.729232 O\n0.703054 0.851527 0.018263 O\n0.296946 0.148474 0.518263 O\n0.510299 0.020598 0.229232 O\n",
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"spacegroup": 186
},
{
"id": "jvasp-55731",
"created_at": "2022-09-04T14:38:35.997675Z",
"updated_at": "2022-09-04T14:38:35.997700Z",
"structure_string": "Tl2 H8 N2 Cl8\n1.0\n6.462371 0.000000 -2.637082\n-1.076106 6.372145 -2.637081\n0.013103 0.015501 9.268920\nTl H N Cl\n2 8 2 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.249999 0.749999 0.500000 Tl\n0.698988 0.371813 0.575328 H\n0.453515 0.448989 0.075328 H\n0.621813 0.626339 0.075328 H\n0.373660 0.546484 0.924672 H\n0.551010 0.378186 0.924672 H\n0.796484 0.301011 0.424672 H\n0.628186 0.123661 0.424672 H\n0.876339 0.203515 0.575328 H\n0.500000 0.500000 -0.000000 N\n0.749999 0.250000 0.500000 N\n0.501407 0.596866 0.681610 Cl\n0.748592 0.153133 0.818389 Cl\n0.069796 0.665256 0.818389 Cl\n0.915256 0.498592 0.318389 Cl\n0.846866 0.930202 0.181610 Cl\n0.334743 0.251407 0.181611 Cl\n0.180203 0.084743 0.681611 Cl\n0.403133 0.819796 0.318389 Cl\n",
"nsites": 20,
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},
{
"id": "jvasp-57081",
"created_at": "2022-09-04T14:37:49.396716Z",
"updated_at": "2022-09-04T14:37:49.396741Z",
"structure_string": "Si8 O16\n1.0\n5.625475 -0.000000 -1.387830\n-0.342384 5.615046 -1.387830\n0.001064 0.001131 12.099472\nSi O\n8 16\ndirect\n0.433119 0.310080 0.122928 Si\n0.316882 0.437152 0.377072 Si\n0.562849 0.683119 0.622928 Si\n0.689921 0.566882 0.877072 Si\n0.060192 0.939921 0.377072 Si\n0.689809 0.812849 0.122928 Si\n0.060080 0.939809 0.622928 Si\n0.187152 0.310192 0.877072 Si\n0.775958 0.775957 0.000000 O\n0.192762 0.692762 0.385522 O\n0.814672 0.814672 0.629343 O\n0.935329 0.435329 0.870657 O\n0.525957 0.474044 0.500000 O\n0.442761 0.442761 0.885522 O\n0.185329 0.185329 0.370657 O\n0.142246 0.125000 0.750000 O\n0.224044 0.224044 0.000000 O\n0.557240 0.557239 0.114478 O\n0.307239 0.807239 0.614478 O\n0.875001 0.857755 0.250000 O\n0.974044 0.025956 0.500000 O\n0.564672 0.064671 0.129343 O\n0.375000 0.392246 0.250000 O\n0.607755 0.625000 0.750000 O\n",
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"volume": 382.2073215856942,
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{
"id": "jvasp-55273",
"created_at": "2022-09-04T14:38:19.570129Z",
"updated_at": "2022-09-04T14:38:19.570149Z",
"structure_string": "Na4 Tm4 Ge4 O16\n1.0\n5.280856 0.000000 0.000000\n-0.000000 6.376611 0.000000\n0.000000 0.000000 11.349010\nNa Tm Ge O\n4 4 4 16\ndirect\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.995841 0.750000 0.776307 Tm\n0.495841 0.250000 0.723693 Tm\n0.004159 0.250000 0.223693 Tm\n0.504160 0.750000 0.276307 Tm\n0.553347 0.750000 0.597129 Ge\n0.053346 0.250000 0.902871 Ge\n0.446654 0.250000 0.402871 Ge\n0.946655 0.750000 0.097129 Ge\n0.723317 0.250000 0.889478 O\n0.223316 0.750000 0.610522 O\n0.711537 0.538817 0.675295 O\n0.211537 0.461182 0.824705 O\n0.288463 0.038817 0.324705 O\n0.788464 0.961182 0.175295 O\n0.288463 0.461182 0.324705 O\n0.325456 0.250000 0.548189 O\n0.711537 0.961182 0.675295 O\n0.211537 0.038817 0.824705 O\n0.674545 0.750000 0.451811 O\n0.174544 0.250000 0.048189 O\n0.776684 0.250000 0.389478 O\n0.825456 0.750000 0.951811 O\n0.788464 0.538817 0.175295 O\n0.276684 0.750000 0.110522 O\n",
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}
]
}