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{
"id": "jvasp-66218",
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"updated_at": "2022-09-04T14:36:00.714807Z",
"structure_string": "Ba4 Ti1 Ir1\n1.0\n-0.000000 4.774970 4.774970\n4.774970 -0.000000 4.774970\n4.774970 4.774970 -0.000000\nBa Ti Ir\n4 1 1\ndirect\n0.127738 0.624088 0.624088 Ba\n0.624088 0.624088 0.624088 Ba\n0.624088 0.127738 0.624088 Ba\n0.624088 0.624088 0.127738 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ir\n",
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{
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{
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"structure_string": "Rb2 Te2 Au2\n1.0\n5.060430 0.000000 0.000000\n0.000000 5.978286 0.000000\n0.000000 0.000000 7.198216\nRb Te Au\n2 2 2\ndirect\n0.500000 0.250000 0.710936 Rb\n0.500000 0.750000 0.289064 Rb\n0.000000 0.250000 0.303737 Te\n0.000000 0.750000 0.696264 Te\n0.000000 0.500000 -0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
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"spacegroup": 51
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{
"id": "jvasp-105178",
"created_at": "2022-09-04T14:37:01.362101Z",
"updated_at": "2022-09-04T14:37:01.362120Z",
"structure_string": "Hg6 Pb2\n1.0\n6.611053 0.000000 0.000000\n-3.305527 5.725340 0.000000\n-0.000000 -0.000000 5.753415\nHg Pb\n6 2\ndirect\n0.165173 0.330347 0.250000 Hg\n0.669652 0.834827 0.250000 Hg\n0.165173 0.834827 0.250000 Hg\n0.834826 0.669653 0.750001 Hg\n0.330347 0.165173 0.750001 Hg\n0.834827 0.165173 0.750001 Hg\n0.333333 0.666667 0.750001 Pb\n0.666666 0.333333 0.250000 Pb\n",
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{
"id": "jvasp-62415",
"created_at": "2022-09-04T14:35:52.340379Z",
"updated_at": "2022-09-04T14:35:52.340405Z",
"structure_string": "Ca2 B4 H16\n1.0\n-2.924649 2.924649 6.364967\n2.924649 -2.924649 6.364967\n2.924649 2.924649 -6.364967\nCa B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ca\n0.228192 0.228192 0.000000 B\n0.771808 0.771808 0.000000 B\n0.521808 0.021808 0.500000 B\n0.978192 0.478192 0.500000 B\n0.591882 0.077272 0.738325 H\n0.338947 0.853558 0.261675 H\n0.827272 0.841882 0.238325 H\n0.603558 0.588947 0.761675 H\n0.411053 0.172728 0.014610 H\n0.158118 0.396442 0.985390 H\n0.785411 0.320558 0.258360 H\n0.472951 0.214590 0.535149 H\n0.679442 0.937803 0.464852 H\n0.922729 0.661053 0.514610 H\n0.687802 0.929442 0.964852 H\n0.964590 0.722951 0.035149 H\n0.277049 0.312198 0.241640 H\n0.070558 0.035410 0.758360 H\n0.062198 0.527049 0.741640 H\n0.146442 0.408118 0.485390 H\n",
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{
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"created_at": "2022-09-04T14:37:07.597979Z",
"updated_at": "2022-09-04T14:37:07.597992Z",
"structure_string": "Y4 Fe4 O12\n1.0\n0.000000 5.605176 -0.000097\n5.209361 0.000000 0.000000\n0.000000 -0.000420 -7.458264\nY Fe O\n4 4 12\ndirect\n0.075777 0.979477 0.250001 Y\n0.424223 0.479477 0.749999 Y\n0.575778 0.520523 0.250001 Y\n0.924223 0.020523 0.749999 Y\n0.500000 0.000000 0.500000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.971477 0.398893 0.250000 O\n0.528524 0.898893 0.750000 O\n0.695664 0.306327 0.949070 O\n0.804337 0.806327 0.050930 O\n0.195662 0.193673 0.550929 O\n0.804339 0.806327 0.449071 O\n0.304337 0.693673 0.050930 O\n0.195664 0.193673 0.949070 O\n0.028524 0.601107 0.750000 O\n0.695662 0.306327 0.550929 O\n0.304338 0.693673 0.449071 O\n0.471477 0.101107 0.250000 O\n",
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"spacegroup": 62
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{
"id": "jvasp-90282",
"created_at": "2022-09-04T14:35:42.920353Z",
"updated_at": "2022-09-04T14:35:42.920377Z",
"structure_string": "Pr3 Cd3 Ga3\n1.0\n0.000000 0.000000 -4.489187\n-3.742205 -6.481689 0.000000\n-3.742212 6.481693 0.000000\nPr Cd Ga\n3 3 3\ndirect\n0.500000 0.582798 -0.000000 Pr\n0.500000 0.417180 0.417192 Pr\n0.500000 0.999987 0.582807 Pr\n0.000000 0.248567 -0.000000 Cd\n0.000000 0.751411 0.751419 Cd\n0.000000 -0.000010 0.248580 Cd\n0.000000 0.333321 0.666667 Ga\n0.000000 0.666654 0.333331 Ga\n0.500000 -0.000010 0.000000 Ga\n",
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"formula_full": "Pr3 Cd3 Ga3",
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},
{
"id": "jvasp-110073",
"created_at": "2022-09-04T14:38:26.820430Z",
"updated_at": "2022-09-04T14:38:26.820455Z",
"structure_string": "Tb4 Mg2 Si4\n1.0\n7.173953 -0.000000 0.000000\n0.000000 7.173953 0.000000\n-0.000000 -0.000000 4.231718\nTb Mg Si\n4 2 4\ndirect\n0.678817 0.178817 0.500000 Tb\n0.321183 0.821183 0.500000 Tb\n0.178817 0.321183 0.500000 Tb\n0.821183 0.678817 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.118322 0.618322 -0.000000 Si\n0.881677 0.381678 -0.000000 Si\n0.618322 0.881677 -0.000000 Si\n0.381678 0.118322 -0.000000 Si\n",
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"volume": 217.78791286709227,
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{
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"created_at": "2022-09-04T14:38:51.923143Z",
"updated_at": "2022-09-04T14:38:51.923170Z",
"structure_string": "Tm2 B8 Ir8\n1.0\n5.401342 0.000000 0.000000\n0.000000 5.401342 0.000000\n0.000000 0.000000 7.465205\nTm B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.500000 0.828268 0.848009 B\n0.328268 0.000000 0.348009 B\n0.671732 0.000000 0.348009 B\n0.500000 0.171732 0.848009 B\n-0.000000 0.328268 0.651992 B\n0.171732 0.500000 0.151992 B\n0.828268 0.500000 0.151992 B\n-0.000000 0.671732 0.651992 B\n0.500000 0.749150 0.145633 Ir\n0.250850 0.500000 0.854367 Ir\n0.749150 0.500000 0.854367 Ir\n-0.000000 0.750850 0.354367 Ir\n-0.000000 0.249150 0.354367 Ir\n0.249150 0.000000 0.645634 Ir\n0.750850 0.000000 0.645634 Ir\n0.500000 0.250850 0.145633 Ir\n",
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{
"id": "jvasp-19409",
"created_at": "2022-09-04T14:36:46.210657Z",
"updated_at": "2022-09-04T14:36:46.210684Z",
"structure_string": "Ta2 Zn4 Cu2 O12\n1.0\n0.000000 5.350169 -0.020047\n7.436307 0.000000 0.000000\n0.000000 -1.095572 -5.470612\nTa Zn Cu O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.961353 0.750000 0.950513 Zn\n0.486803 0.750000 0.439586 Zn\n0.513198 0.250000 0.560414 Zn\n0.038648 0.250000 0.049487 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.822541 0.940142 0.160106 O\n0.369462 0.750000 0.070917 O\n0.177459 0.059859 0.839895 O\n0.713264 0.924869 0.650089 O\n0.286736 0.424869 0.349911 O\n0.713264 0.575132 0.650089 O\n0.286736 0.075132 0.349911 O\n0.822541 0.559859 0.160106 O\n0.630539 0.250000 0.929083 O\n0.177459 0.440141 0.839895 O\n0.856164 0.250000 0.459865 O\n0.143837 0.750000 0.540135 O\n",
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{
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"structure_string": "Fe8 O14 F2\n1.0\n0.000000 5.207752 0.044892\n4.372075 0.000000 0.000000\n0.000000 -1.020160 -9.575327\nFe O F\n8 14 2\ndirect\n0.236894 0.748660 0.250834 Fe\n0.764993 0.772663 0.755270 Fe\n0.495780 0.763193 0.990813 Fe\n0.001422 0.747447 0.503272 Fe\n0.236894 0.251341 0.750835 Fe\n0.495780 0.236808 0.490813 Fe\n0.764993 0.227338 0.255269 Fe\n0.001422 0.252554 0.003272 Fe\n0.773290 0.435530 0.422638 O\n0.272363 0.447843 0.924516 O\n0.023809 0.437309 0.176787 O\n0.023809 0.562692 0.676787 O\n0.272363 0.552158 0.424516 O\n0.773290 0.564471 0.922639 O\n0.978034 0.934562 0.327509 O\n0.978034 0.065439 0.827510 O\n0.726662 0.943426 0.575642 O\n0.472688 0.951765 0.822629 O\n0.726662 0.056575 0.075642 O\n0.472687 0.048236 0.322629 O\n0.226107 0.059756 0.575621 O\n0.226107 0.940245 0.075620 O\n0.527958 0.550282 0.174471 F\n0.527958 0.449719 0.674471 F\n",
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{
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"created_at": "2022-09-04T14:36:46.189291Z",
"updated_at": "2022-09-04T14:36:46.189325Z",
"structure_string": "Na4 Zn2 Ge2 O8\n1.0\n0.000000 5.377056 0.001544\n5.633292 0.000000 0.000000\n0.000000 -5.363630 -7.192734\nNa Zn Ge O\n4 2 2 8\ndirect\n0.511222 0.821263 0.003321 Na\n0.258556 0.320524 0.748163 Na\n0.511222 0.178737 0.503320 Na\n0.258556 0.679476 0.248163 Na\n0.997170 0.185699 0.998098 Zn\n0.997170 0.814300 0.498098 Zn\n0.745563 0.683744 0.750630 Ge\n0.745563 0.316256 0.250630 Ge\n0.390903 0.295526 0.226300 O\n0.390903 0.704474 0.726300 O\n0.676855 0.795545 0.542981 O\n0.676855 0.204454 0.042982 O\n0.037964 0.844604 0.955375 O\n0.855770 0.622126 0.275131 O\n0.855770 0.377873 0.775131 O\n0.037964 0.155396 0.455375 O\n",
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"spacegroup": 7
}
]
}