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{
"id": "jvasp-21964",
"created_at": "2022-09-04T14:37:31.396672Z",
"updated_at": "2022-09-04T14:37:31.396693Z",
"structure_string": "Ba2 Dy1 Re1 O6\n1.0\n5.164606 0.000000 2.981786\n1.721535 4.869237 2.981786\n0.000000 0.000000 5.963573\nBa Dy Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750000 Ba\n0.500001 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Re\n0.234787 0.765215 0.765214 O\n0.234787 0.765215 0.234786 O\n0.765215 0.234786 0.765214 O\n0.234786 0.234786 0.765214 O\n0.765215 0.234786 0.234786 O\n0.765215 0.765215 0.234786 O\n",
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{
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"structure_string": "Ca2 Si4 W2 O12\n1.0\n4.943198 -0.053343 0.961701\n1.042048 6.732058 0.965328\n-0.174646 0.386164 6.867220\nCa Si W O\n2 4 2 12\ndirect\n0.750000 0.278863 0.721137 Ca\n0.250001 0.721137 0.278864 Ca\n0.290896 0.206220 0.397814 Si\n0.209103 0.602186 0.793780 Si\n0.790896 0.397815 0.206220 Si\n0.709104 0.793780 0.602186 Si\n0.249998 0.066039 0.933962 W\n0.749999 0.933964 0.066038 W\n0.639566 0.942565 0.767435 O\n0.860434 0.232565 0.057435 O\n0.677494 0.622440 0.112577 O\n0.822506 0.887425 0.377560 O\n0.322505 0.377559 0.887423 O\n0.942872 0.601836 0.678360 O\n0.057127 0.398164 0.321640 O\n0.442873 0.678360 0.601837 O\n0.360433 0.057436 0.232565 O\n0.557128 0.321641 0.398163 O\n0.177494 0.112575 0.622440 O\n0.139567 0.767436 0.942565 O\n",
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"formula_full": "Ca2 Si4 W2 O12",
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{
"id": "jvasp-21735",
"created_at": "2022-09-04T14:37:31.392093Z",
"updated_at": "2022-09-04T14:37:31.392120Z",
"structure_string": "Li2 Pr4 Ir2 O12\n1.0\n0.000000 5.475844 0.001827\n5.790105 0.000000 0.000000\n0.000000 -5.406891 -7.801317\nLi Pr Ir O\n2 4 2 12\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.767020 0.067101 0.251343 Pr\n0.232980 0.567101 0.248657 Pr\n0.767020 0.432898 0.751343 Pr\n0.232980 0.932898 0.748657 Pr\n0.499999 0.500000 -0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.841469 0.193111 0.545177 O\n0.158531 0.693110 0.954823 O\n0.158531 0.806889 0.454823 O\n0.841468 0.306889 0.045177 O\n0.340906 0.522347 0.752712 O\n0.734716 0.788238 0.047550 O\n0.265283 0.211762 0.952450 O\n0.734716 0.711761 0.547550 O\n0.659094 0.477652 0.247288 O\n0.265283 0.288238 0.452450 O\n0.659094 0.022347 0.747288 O\n0.340905 0.977652 0.252712 O\n",
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"elements": [
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"density_atomic": 0.08087699423156641,
"volume": 247.28911095207306,
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"formula_full": "Li2 Pr4 Ir2 O12",
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{
"id": "jvasp-21168",
"created_at": "2022-09-04T14:37:31.507944Z",
"updated_at": "2022-09-04T14:37:31.507962Z",
"structure_string": "Sr4 Er2 Ru2 O12\n1.0\n0.000000 5.772740 0.000313\n5.806610 0.000000 0.000000\n0.000000 -5.727863 -8.173363\nSr Er Ru O\n4 2 2 12\ndirect\n0.742208 0.033111 0.749268 Sr\n0.257793 0.533111 0.750731 Sr\n0.742208 0.466889 0.249268 Sr\n0.257793 0.966889 0.250732 Sr\n0.000000 0.000000 0.500000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.338904 0.771423 0.538090 O\n0.661096 0.271422 0.961910 O\n0.267079 0.298197 0.536853 O\n0.732921 0.798197 0.963146 O\n0.732921 0.701803 0.463147 O\n0.193963 0.515867 0.264817 O\n0.806037 0.484133 0.735183 O\n0.193963 0.984133 0.764817 O\n0.338904 0.728578 0.038090 O\n0.806037 0.015867 0.235183 O\n0.267079 0.201803 0.036853 O\n0.661096 0.228578 0.461910 O\n",
"nsites": 20,
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{
"id": "jvasp-21955",
"created_at": "2022-09-04T14:37:32.145542Z",
"updated_at": "2022-09-04T14:37:32.145562Z",
"structure_string": "Cs2 Na1 In1 F6\n1.0\n5.464061 0.000000 3.154677\n1.821354 5.151566 3.154677\n0.000000 -0.000000 6.309354\nCs Na In F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.237109 0.762891 0.762890 F\n0.237109 0.762891 0.237110 F\n0.762890 0.237110 0.762890 F\n0.237109 0.237110 0.762890 F\n0.762890 0.237110 0.237110 F\n0.762889 0.762891 0.237110 F\n",
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"density": 4.83962032006522,
"density_atomic": 0.05630672883677817,
"volume": 177.59866727452734,
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"formula_full": "Cs2 Na1 In1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-10702",
"created_at": "2022-09-04T14:37:14.560102Z",
"updated_at": "2022-09-04T14:37:14.560129Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.320699 0.000000 3.071907\n1.773566 5.016403 3.071907\n0.000000 0.000000 6.143814\nBa Pr Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.500001 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sb\n0.231498 0.768502 0.768503 O\n0.231498 0.768502 0.231497 O\n0.768503 0.231497 0.768503 O\n0.231497 0.231497 0.768503 O\n0.768503 0.231497 0.231497 O\n0.768504 0.768502 0.231498 O\n",
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"density": 6.413155852940208,
"density_atomic": 0.060981883076868505,
"volume": 163.9831290121832,
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"formula_full": "Ba2 Pr1 Sb1 O6",
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"spacegroup": 225
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{
"id": "jvasp-21961",
"created_at": "2022-09-04T14:37:32.366706Z",
"updated_at": "2022-09-04T14:37:32.366731Z",
"structure_string": "Rb2 Na1 Y1 F6\n1.0\n5.431934 -0.000000 3.136129\n1.810645 5.121277 3.136129\n-0.000000 -0.000000 6.272257\nRb Na Y F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.244780 0.755220 0.755220 F\n0.244780 0.755220 0.244781 F\n0.755218 0.244781 0.755220 F\n0.244780 0.244781 0.755220 F\n0.755218 0.244781 0.244781 F\n0.755218 0.755220 0.244782 F\n",
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{
"id": "jvasp-21962",
"created_at": "2022-09-04T14:37:32.369135Z",
"updated_at": "2022-09-04T14:37:32.369157Z",
"structure_string": "Ba2 Sm1 Re1 O6\n1.0\n5.224443 -0.000000 3.016333\n1.741481 4.925652 3.016333\n0.000000 0.000000 6.032666\nBa Sm Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Re\n0.231508 0.768491 0.768492 O\n0.231508 0.768491 0.231508 O\n0.768491 0.231508 0.768492 O\n0.231508 0.231508 0.768492 O\n0.768491 0.231508 0.231508 O\n0.768491 0.768491 0.231508 O\n",
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"volume": 155.24334859347724,
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{
"id": "jvasp-102268",
"created_at": "2022-09-04T14:37:14.383300Z",
"updated_at": "2022-09-04T14:37:14.383326Z",
"structure_string": "K2 Rb1 Ta1 Br6\n1.0\n7.043932 -0.000000 4.066816\n2.347977 6.641083 4.066816\n-0.000000 -0.000000 8.133632\nK Rb Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.772598 0.227402 0.227403 Br\n0.227402 0.227402 0.772598 Br\n0.227402 0.772598 0.772598 Br\n0.227402 0.772598 0.227402 Br\n0.772598 0.227402 0.772598 Br\n0.772598 0.772598 0.227403 Br\n",
"nsites": 10,
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],
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{
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"created_at": "2022-09-04T14:37:14.310854Z",
"updated_at": "2022-09-04T14:37:14.310881Z",
"structure_string": "Zn2 Si4 Ni2 O12\n1.0\n5.168759 0.128755 1.203999\n1.446706 6.468679 0.532737\n0.186351 -0.104935 6.646416\nZn Si Ni O\n2 4 2 12\ndirect\n0.750000 0.239393 0.760609 Zn\n0.250001 0.760609 0.239393 Zn\n0.239977 0.217425 0.389330 Si\n0.260022 0.610671 0.782577 Si\n0.739977 0.389330 0.217425 Si\n0.760023 0.782577 0.610671 Si\n0.249999 0.096371 0.903632 Ni\n0.750000 0.903633 0.096369 Ni\n0.645897 0.960583 0.794533 O\n0.854104 0.205467 0.039419 O\n0.628140 0.623615 0.134386 O\n0.871860 0.865616 0.376386 O\n0.371860 0.376385 0.865615 O\n0.014549 0.610856 0.673118 O\n0.985450 0.389146 0.326883 O\n0.514551 0.673118 0.610857 O\n0.354103 0.039419 0.205468 O\n0.485451 0.326884 0.389144 O\n0.128140 0.134385 0.623615 O\n0.145897 0.794534 0.960582 O\n",
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{
"id": "jvasp-55616",
"created_at": "2022-09-04T14:37:14.235690Z",
"updated_at": "2022-09-04T14:37:14.235718Z",
"structure_string": "Sr4 Nd2 Bi2 O12\n1.0\n0.000000 6.003517 0.002078\n6.194033 0.000000 0.000000\n0.000000 -5.963455 -8.594225\nSr Nd Bi O\n4 2 2 12\ndirect\n0.763499 0.050120 0.249451 Sr\n0.236502 0.550120 0.250550 Sr\n0.236503 0.949879 0.750550 Sr\n0.763500 0.449880 0.749451 Sr\n0.500000 0.500000 -0.000000 Nd\n0.500001 0.000000 0.500000 Nd\n0.000001 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.655058 0.044602 0.762466 O\n0.344944 0.544602 0.737534 O\n0.126815 0.786817 0.440060 O\n0.873186 0.286818 0.059940 O\n0.873187 0.213182 0.559940 O\n0.765661 0.692213 0.554193 O\n0.234341 0.307787 0.445807 O\n0.765660 0.807786 0.054193 O\n0.655058 0.455398 0.262466 O\n0.234342 0.192213 0.945807 O\n0.126816 0.713182 0.940060 O\n0.344943 0.955398 0.237534 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.490844787847291,
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{
"id": "jvasp-106449",
"created_at": "2022-09-04T14:37:14.233308Z",
"updated_at": "2022-09-04T14:37:14.233327Z",
"structure_string": "Rb2 Er1 Ag1 Cl6\n1.0\n6.465483 -0.000000 3.732848\n2.155161 6.095716 3.732848\n-0.000000 -0.000000 7.465697\nRb Er Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Ag\n0.754627 0.245372 0.245373 Cl\n0.245372 0.245372 0.754628 Cl\n0.245372 0.754628 0.754628 Cl\n0.245372 0.754628 0.245372 Cl\n0.754627 0.245372 0.754629 Cl\n0.754627 0.754628 0.245373 Cl\n",
"nsites": 10,
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],
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]
}