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{
"id": "jvasp-25658",
"created_at": "2022-09-04T14:38:16.708267Z",
"updated_at": "2022-09-04T14:38:16.708287Z",
"structure_string": "Zn4 P6 N12 O1\n1.0\n6.595938 0.000000 -2.332016\n-3.297969 5.712251 -2.332016\n0.000000 -0.000000 6.996049\nZn P N O\n4 6 12 1\ndirect\n0.000000 0.000000 0.702838 Zn\n-0.000000 0.702838 -0.000000 Zn\n0.702838 -0.000000 -0.000000 Zn\n0.297162 0.297162 0.297162 Zn\n0.750000 0.500000 0.249999 P\n0.250000 0.500000 0.750000 P\n0.250000 0.750000 0.500000 P\n0.500000 0.250000 0.750000 P\n0.500000 0.750000 0.249999 P\n0.750000 0.250000 0.500000 P\n0.274713 0.539511 0.539510 N\n-0.000000 0.460489 0.735203 N\n0.725287 0.264797 0.264796 N\n0.460489 0.735203 -0.000001 N\n0.539511 0.539511 0.274713 N\n0.539511 0.274713 0.539510 N\n0.735203 0.460489 -0.000001 N\n0.264797 0.264797 0.725287 N\n-0.000000 0.735203 0.460489 N\n0.735204 -0.000000 0.460489 N\n0.460489 -0.000000 0.735203 N\n0.264797 0.725287 0.264796 N\n0.000000 0.000000 0.000000 O\n",
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"structure_string": "Y3 Mg1\n1.0\n3.545833 0.000000 0.000000\n-1.772916 3.070782 -0.000000\n-0.000000 -0.000000 11.155368\nY Mg\n3 1\ndirect\n0.333332 0.666667 0.500000 Y\n0.666666 0.333333 0.244827 Y\n0.666666 0.333333 0.755173 Y\n0.333332 0.666667 0.000000 Mg\n",
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{
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"structure_string": "Rb2 Ti6 O13\n1.0\n3.838074 0.000000 -0.000000\n-1.919038 7.882983 -1.445531\n-0.000000 0.003952 9.188888\nRb Ti O\n2 6 13\ndirect\n0.455069 0.910140 0.250922 Rb\n0.544929 0.089859 0.749078 Rb\n0.114580 0.229161 0.095107 Ti\n0.885418 0.770838 0.904893 Ti\n0.173760 0.347519 0.437422 Ti\n0.826238 0.652480 0.562579 Ti\n0.234094 0.468188 0.778951 Ti\n0.765904 0.531811 0.221049 Ti\n0.641037 0.282078 0.110569 O\n0.358960 0.717922 0.889432 O\n0.861653 0.723308 0.384257 O\n0.138345 0.276691 0.615743 O\n0.703480 0.406964 0.428006 O\n0.761516 0.523035 0.760922 O\n0.918574 0.837151 0.709988 O\n0.081424 0.162848 0.290013 O\n0.169699 0.339398 0.917709 O\n0.238482 0.476964 0.239078 O\n0.000000 0.000000 0.000000 O\n0.296517 0.593035 0.571994 O\n0.830299 0.660601 0.082291 O\n",
"nsites": 21,
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{
"id": "jvasp-119199",
"created_at": "2022-09-04T14:38:52.168970Z",
"updated_at": "2022-09-04T14:38:52.168992Z",
"structure_string": "Cr5 In1 S8\n1.0\n8.900167 -0.000000 2.349513\n8.219576 3.413437 2.349513\n-0.000000 -0.000000 8.673777\nCr In S\n5 1 8\ndirect\n0.203051 0.203051 0.165152 Cr\n0.796057 0.796058 0.834158 Cr\n0.500580 0.500581 0.500128 Cr\n0.841130 0.841131 0.473986 Cr\n0.157545 0.157545 0.527474 Cr\n0.981543 0.981544 0.007997 In\n0.414621 0.414621 0.327409 S\n0.584636 0.584637 0.673581 S\n0.736889 0.736889 0.345330 S\n0.262087 0.262087 0.656414 S\n0.076406 0.076406 0.349550 S\n0.923822 0.923823 0.649544 S\n0.328172 0.328172 0.989294 S\n0.672353 0.672354 0.010477 S\n",
"nsites": 14,
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],
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{
"id": "jvasp-11158",
"created_at": "2022-09-04T14:37:15.758568Z",
"updated_at": "2022-09-04T14:37:15.758589Z",
"structure_string": "Li4 Pd2 F12\n1.0\n0.000000 4.638812 0.000730\n4.641925 0.000000 0.000000\n0.000000 -4.637117 -9.084081\nLi Pd F\n4 2 12\ndirect\n0.336179 0.999832 0.336190 Li\n0.336178 0.500167 0.836189 Li\n0.663820 0.000167 0.663810 Li\n0.663821 0.499832 0.163810 Li\n-0.000000 0.499999 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.966684 0.306332 0.661381 F\n0.033314 0.806332 0.838619 F\n0.033314 0.693667 0.338619 F\n0.966685 0.193667 0.161381 F\n0.294911 0.204059 0.500004 F\n0.294912 0.295940 0.000005 F\n0.705088 0.795940 0.499995 F\n0.356025 0.806153 0.161325 F\n0.643974 0.193846 0.838675 F\n0.356025 0.693845 0.661325 F\n0.705087 0.704058 0.999995 F\n0.643974 0.306154 0.338675 F\n",
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"density": 3.9781974010594787,
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"volume": 195.59196081431813,
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"formula_full": "Li4 Pd2 F12",
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{
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"created_at": "2022-09-04T14:38:52.521067Z",
"updated_at": "2022-09-04T14:38:52.521092Z",
"structure_string": "Be1 Si1 Te1\n1.0\n4.090705 -0.036733 0.000000\n-2.063084 5.677549 0.000000\n0.000000 0.000000 2.969708\nBe Si Te\n1 1 1\ndirect\n0.467135 0.088548 0.000000 Be\n0.041543 0.227285 0.000000 Si\n0.491324 0.684167 0.000000 Te\n",
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"formula_full": "Be1 Si1 Te1",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-68551",
"created_at": "2022-09-04T14:36:04.649387Z",
"updated_at": "2022-09-04T14:36:04.649416Z",
"structure_string": "Li1 Be1 Nb1\n1.0\n1.363873 -2.362297 -0.000000\n1.363873 2.362297 0.000000\n-0.000000 0.000000 7.052342\nLi Be Nb\n1 1 1\ndirect\n0.666666 0.333332 0.310929 Li\n0.000000 0.000000 0.000026 Be\n0.333332 0.666666 0.689044 Nb\n",
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},
{
"id": "jvasp-121202",
"created_at": "2022-09-04T14:38:55.388163Z",
"updated_at": "2022-09-04T14:38:55.388190Z",
"structure_string": "Li2 Te1\n1.0\n5.153716 0.919103 -0.362168\n-1.782297 -3.108158 -0.211554\n-1.363123 -5.154806 -4.604366\nLi Te\n2 1\ndirect\n0.782202 0.739286 0.727922 Li\n0.457733 0.459219 0.354602 Li\n0.120049 0.099374 0.041261 Te\n",
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},
{
"id": "jvasp-39210",
"created_at": "2022-09-04T14:37:53.277471Z",
"updated_at": "2022-09-04T14:37:53.277495Z",
"structure_string": "Mn1 Be3\n1.0\n3.246666 0.000000 0.000000\n0.000000 3.246666 0.000000\n-0.000000 -0.000000 3.246666\nMn Be\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.500001 Be\n0.000000 0.500001 0.500001 Be\n0.500001 0.500001 0.000000 Be\n",
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{
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"created_at": "2022-09-04T14:38:15.024009Z",
"updated_at": "2022-09-04T14:38:15.024040Z",
"structure_string": "Li4 Cr4 Si2 O12\n1.0\n5.069691 -0.028456 -0.000016\n-1.746546 4.759356 -0.000695\n-1.661434 -2.364242 8.390555\nLi Cr Si O\n4 4 2 12\ndirect\n0.311066 0.310671 0.621808 Li\n0.995580 0.995137 0.990985 Li\n0.745632 0.245217 0.490950 Li\n0.061023 0.560556 0.121819 Li\n0.482504 0.482167 0.964842 Cr\n0.824077 0.823748 0.647941 Cr\n0.232526 0.732194 0.464843 Cr\n0.574043 0.073710 0.147936 Cr\n0.653297 0.652950 0.306392 Si\n0.403289 0.902950 0.806388 Si\n0.274138 0.755335 0.965955 O\n0.960463 0.941670 0.465957 O\n0.615984 0.690240 0.806387 O\n0.505711 0.523837 0.465961 O\n0.190591 0.115657 0.806391 O\n0.096134 0.614267 0.646816 O\n0.364579 0.345773 0.146825 O\n0.865995 0.440245 0.306387 O\n0.691971 0.210104 0.965962 O\n0.440589 0.865652 0.306390 O\n0.782402 0.800541 0.146822 O\n0.550898 0.032103 0.646823 O\n",
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{
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"created_at": "2022-09-04T14:38:06.044667Z",
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"structure_string": "Li3 Mn3 Si1 O8\n1.0\n0.000000 5.215427 0.055437\n5.592011 0.000000 0.000000\n0.000000 -2.029956 -4.913195\nLi Mn Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000001 0.244075 0.499999 Li\n-0.000001 0.755925 0.499999 Li\n0.500000 0.249548 -0.000000 Mn\n0.500000 0.750452 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Si\n0.311199 0.000000 0.733413 O\n0.721934 0.236945 0.702104 O\n0.261427 0.500000 0.786719 O\n0.278065 0.236945 0.297894 O\n0.721934 0.763055 0.702104 O\n0.688801 0.000000 0.266586 O\n0.738572 0.500000 0.213279 O\n0.278065 0.763055 0.297894 O\n",
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}
]
}