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"results": [
{
"id": "jvasp-62061",
"created_at": "2022-09-04T14:36:03.679907Z",
"updated_at": "2022-09-04T14:36:03.679933Z",
"structure_string": "Ba3 Ge2 B6 O16\n1.0\n-5.142251 0.018122 -0.006274\n-0.218176 -7.680988 -0.021306\n1.910599 1.832360 8.287197\nBa Ge B O\n3 2 6 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.383006 0.919971 0.740943 Ba\n0.616994 0.080030 0.259057 Ba\n0.772316 0.669429 0.442539 Ge\n0.227685 0.330571 0.557461 Ge\n0.039597 0.193878 0.971793 B\n0.960403 0.806122 0.028207 B\n0.969570 0.591754 0.755137 B\n0.807112 0.254455 0.704607 B\n0.192888 0.745545 0.295393 B\n0.030430 0.408246 0.244863 B\n0.133120 0.562122 0.203337 O\n0.913942 0.274544 0.095808 O\n0.086059 0.725457 0.904192 O\n0.304987 0.176623 0.995018 O\n0.695014 0.823378 0.004982 O\n0.866881 0.437879 0.796664 O\n0.765752 0.675383 0.645767 O\n0.789881 0.453566 0.319666 O\n0.514732 0.215806 0.630002 O\n0.485269 0.784195 0.369999 O\n0.210119 0.546434 0.680335 O\n0.128423 0.868701 0.182200 O\n0.953473 0.202644 0.571335 O\n0.046527 0.797356 0.428665 O\n0.234248 0.324617 0.354234 O\n0.871577 0.131299 0.817801 O\n",
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{
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"structure_string": "Sr6 U2 O12\n1.0\n0.000000 6.030706 0.006709\n6.269916 0.000000 0.000000\n0.000000 -0.060094 -8.649987\nSr U O\n6 2 12\ndirect\n0.749999 0.981823 0.249999 Sr\n0.250002 0.481822 0.750001 Sr\n0.765134 0.430466 0.494014 Sr\n0.234867 0.930466 0.505986 Sr\n0.265143 0.033180 0.994009 Sr\n0.734858 0.533181 0.005991 Sr\n0.750009 0.981820 0.750000 U\n0.249993 0.481820 0.250000 U\n0.630616 0.042956 0.524382 O\n0.369386 0.542957 0.475618 O\n0.923064 0.707262 0.674251 O\n0.076937 0.207261 0.325749 O\n0.869397 0.920682 0.975619 O\n0.423050 0.756383 0.174257 O\n0.967132 0.658416 0.301566 O\n0.032869 0.158416 0.698434 O\n0.467155 0.805216 0.801573 O\n0.576951 0.256383 0.825744 O\n0.130605 0.420682 0.024381 O\n0.532846 0.305216 0.198427 O\n",
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"spacegroup": 14
},
{
"id": "jvasp-105003",
"created_at": "2022-09-04T14:38:45.385016Z",
"updated_at": "2022-09-04T14:38:45.385041Z",
"structure_string": "K3 Tm1 Cl6\n1.0\n6.698045 -0.000000 3.867118\n2.232682 6.314978 3.867118\n-0.000000 -0.000000 7.734237\nK Tm Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tm\n0.764383 0.235618 0.235617 Cl\n0.235617 0.235618 0.764383 Cl\n0.235617 0.764383 0.764383 Cl\n0.235617 0.764383 0.235618 Cl\n0.764383 0.235618 0.764383 Cl\n0.764383 0.764383 0.235618 Cl\n",
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],
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"volume": 327.1428093581052,
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{
"id": "jvasp-24321",
"created_at": "2022-09-04T14:37:36.167222Z",
"updated_at": "2022-09-04T14:37:36.167240Z",
"structure_string": "Na2 P2 Pd2 S8\n1.0\n6.452113 -0.000000 -3.309230\n-1.697273 6.224871 -3.309230\n0.060092 0.078670 8.061726\nNa P Pd S\n2 2 2 8\ndirect\n0.750000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.500000 0.000000 -0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.706028 0.206028 0.717619 S\n0.988410 0.488410 0.282381 S\n0.206028 0.011590 0.717620 S\n0.511590 0.706028 0.717619 S\n0.293972 0.793972 0.282381 S\n0.793972 0.988410 0.282381 S\n0.488410 0.293972 0.282381 S\n0.011590 0.511590 0.717620 S\n",
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{
"id": "jvasp-42082",
"created_at": "2022-09-04T14:37:39.515515Z",
"updated_at": "2022-09-04T14:37:39.515537Z",
"structure_string": "K2 P2 Au2 Se6\n1.0\n-6.069460 -3.638826 0.027270\n-6.069460 3.638826 0.027270\n3.434581 0.000000 -7.422577\nK P Au Se\n2 2 2 6\ndirect\n0.301709 0.301709 0.253322 K\n0.698291 0.698291 0.746678 K\n0.977405 0.977405 0.350039 P\n0.022595 0.022595 0.649961 P\n0.738850 0.261152 -0.000000 Au\n0.261152 0.738850 -0.000000 Au\n0.781941 0.781941 0.194774 Se\n0.824545 0.332477 0.328600 Se\n0.332477 0.824545 0.328600 Se\n0.667523 0.175455 0.671401 Se\n0.175455 0.667523 0.671401 Se\n0.218060 0.218060 0.805226 Se\n",
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],
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"density_atomic": 0.03667659701033092,
"volume": 327.18411679851016,
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"spacegroup": 12
},
{
"id": "jvasp-100473",
"created_at": "2022-09-04T14:36:39.065615Z",
"updated_at": "2022-09-04T14:36:39.065640Z",
"structure_string": "K2 Cu1 Bi1 Br6\n1.0\n6.698416 0.000000 3.867332\n2.232805 6.315327 3.867332\n0.000000 0.000000 7.734665\nK Cu Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Cu\n0.000000 0.000000 0.000000 Bi\n0.738815 0.261186 0.261185 Br\n0.261186 0.261186 0.738813 Br\n0.261186 0.738815 0.738813 Br\n0.261186 0.738815 0.261185 Br\n0.738815 0.261186 0.738813 Br\n0.738815 0.738815 0.261185 Br\n",
"nsites": 10,
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],
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{
"id": "jvasp-59143",
"created_at": "2022-09-04T14:38:11.928139Z",
"updated_at": "2022-09-04T14:38:11.928169Z",
"structure_string": "Hg8 O2 F12\n1.0\n3.930702 -6.808176 -0.000000\n3.930702 6.808176 0.000000\n-0.000000 0.000000 6.113729\nHg O F\n8 2 12\ndirect\n0.666667 0.333333 0.475669 Hg\n0.333333 0.666667 0.975669 Hg\n0.364050 0.182024 0.001069 Hg\n0.182024 0.364050 0.501069 Hg\n0.182024 0.817975 0.501069 Hg\n0.817975 0.182024 0.001069 Hg\n0.817975 0.635950 0.001069 Hg\n0.635950 0.817975 0.501069 Hg\n0.666667 0.333333 0.126222 O\n0.333333 0.666667 0.626222 O\n0.923406 0.461702 0.725340 F\n0.076593 0.538297 0.225340 F\n0.461702 0.538297 0.225340 F\n0.538297 0.076593 0.725340 F\n0.746369 0.873184 0.896594 F\n0.253631 0.126816 0.396594 F\n0.873184 0.126815 0.396594 F\n0.126815 0.873184 0.896594 F\n0.126816 0.253631 0.896594 F\n0.538297 0.461702 0.725340 F\n0.873184 0.746369 0.396594 F\n0.461702 0.923406 0.225340 F\n",
"nsites": 22,
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"elements": [
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{
"id": "jvasp-52504",
"created_at": "2022-09-04T14:37:45.891976Z",
"updated_at": "2022-09-04T14:37:45.891991Z",
"structure_string": "Y2 Ta6 O18\n1.0\n0.000000 5.284980 -0.008941\n7.492368 0.000000 0.000000\n0.000000 -0.364092 -8.263391\nY Ta O\n2 6 18\ndirect\n0.966495 0.250000 0.564947 Y\n0.033505 0.750000 0.435053 Y\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.528205 0.492260 0.302217 Ta\n0.528205 0.007740 0.302217 Ta\n0.471795 0.992260 0.697783 Ta\n0.471795 0.507740 0.697783 Ta\n0.145682 0.065374 0.783648 O\n0.258362 0.456097 0.466469 O\n0.258362 0.043903 0.466469 O\n0.332051 0.750000 0.654084 O\n0.326987 0.442333 0.118445 O\n0.326987 0.057667 0.118445 O\n0.421958 0.750000 0.311674 O\n0.578043 0.250000 0.688325 O\n0.741638 0.543903 0.533531 O\n0.673013 0.942334 0.881554 O\n0.667950 0.250000 0.345916 O\n0.145682 0.434626 0.783648 O\n0.741638 0.956097 0.533531 O\n0.854319 0.565374 0.216352 O\n0.854319 0.934626 0.216352 O\n0.897610 0.250000 0.021843 O\n0.673013 0.557667 0.881554 O\n0.102391 0.750000 0.978157 O\n",
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],
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"spacegroup": 11
},
{
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"created_at": "2022-09-04T14:38:27.174393Z",
"updated_at": "2022-09-04T14:38:27.174420Z",
"structure_string": "Cd3 In2 Se6\n1.0\n6.599060 0.023593 4.767432\n2.450042 6.127433 4.767432\n0.034710 0.023593 8.140934\nCd In Se\n3 2 6\ndirect\n0.163587 0.470578 0.861805 Cd\n0.470578 0.861804 0.163587 Cd\n0.861806 0.163586 0.470578 Cd\n0.667431 0.667429 0.667430 In\n-0.000378 -0.000378 -0.000378 In\n0.059204 0.369030 0.682947 Se\n0.369031 0.682947 0.059204 Se\n0.682948 0.059204 0.369031 Se\n0.872589 0.872587 0.872588 Se\n0.228061 0.228061 0.228061 Se\n0.540132 0.540130 0.540131 Se\n",
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{
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"created_at": "2022-09-04T14:35:46.604646Z",
"updated_at": "2022-09-04T14:35:46.604680Z",
"structure_string": "Si8 O16\n1.0\n7.272481 -0.154272 -2.072564\n-4.178878 5.953969 -2.072564\n0.082290 0.154272 7.561595\nSi O\n8 16\ndirect\n0.478300 0.133539 0.227379 Si\n0.906161 0.250921 0.772623 Si\n0.133539 0.478300 0.227379 Si\n0.866461 0.093839 0.344761 Si\n0.749079 0.521700 0.655241 Si\n0.250921 0.906161 0.772623 Si\n0.093839 0.866461 0.344761 Si\n0.521700 0.749079 0.655240 Si\n0.645964 0.394963 0.404214 O\n0.251085 -0.000000 0.251085 O\n0.394963 0.645964 0.404213 O\n0.009249 0.605037 0.251001 O\n0.748915 -0.000000 0.748916 O\n0.758248 0.354036 0.749000 O\n0.590743 0.590743 0.713916 O\n-0.000000 0.748915 0.748915 O\n0.990750 0.241752 0.595788 O\n0.409257 0.123172 0.000000 O\n0.876828 0.876828 0.286086 O\n0.605037 0.009250 0.251002 O\n0.123172 0.409257 0.000000 O\n-0.000000 0.251085 0.251085 O\n0.241751 0.990750 0.595788 O\n0.354036 0.758248 0.749000 O\n",
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],
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"volume": 327.24639099752727,
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"formula_full": "Si8 O16",
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},
{
"id": "jvasp-105669",
"created_at": "2022-09-04T14:35:45.264196Z",
"updated_at": "2022-09-04T14:35:45.264218Z",
"structure_string": "Rb2 Al1 Hg1 Br6\n1.0\n6.699113 -0.000000 3.867735\n2.233038 6.315985 3.867735\n-0.000000 -0.000000 7.735469\nRb Al Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500001 Hg\n0.769009 0.230991 0.230992 Br\n0.230991 0.230991 0.769010 Br\n0.230991 0.769009 0.769010 Br\n0.230991 0.769009 0.230991 Br\n0.769009 0.230991 0.769010 Br\n0.769009 0.769009 0.230992 Br\n",
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},
{
"id": "jvasp-98511",
"created_at": "2022-09-04T14:36:08.726643Z",
"updated_at": "2022-09-04T14:36:08.726670Z",
"structure_string": "Dy6 Fe16 O1\n1.0\n7.089568 -0.000000 -2.506542\n-3.544784 6.139745 -2.506542\n0.000000 0.000000 7.519623\nDy Fe O\n6 16 1\ndirect\n0.000000 0.275318 0.275318 Dy\n0.275318 -0.000000 0.275318 Dy\n0.724683 -0.000000 0.724682 Dy\n0.724683 0.724683 0.000001 Dy\n0.275318 0.275318 0.000000 Dy\n0.000001 0.724683 0.724683 Dy\n0.333574 0.667146 0.333573 Fe\n0.333574 0.666428 0.000001 Fe\n0.333573 -0.000000 0.666427 Fe\n0.333573 0.333573 0.667146 Fe\n0.000000 0.333573 0.666427 Fe\n0.000001 0.666428 0.333573 Fe\n0.666428 0.333573 0.000000 Fe\n0.666427 -0.000000 0.333573 Fe\n0.666428 0.332854 0.666427 Fe\n0.667146 0.333573 0.333573 Fe\n0.332855 0.666428 0.666427 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500001 0.500000 0.500000 Fe\n0.666428 0.666428 0.332855 Fe\n0.000000 0.000000 0.000000 O\n",
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}
]
}