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{
"id": "jvasp-11008",
"created_at": "2022-09-04T14:37:07.032811Z",
"updated_at": "2022-09-04T14:37:07.032836Z",
"structure_string": "Tm6 Fe2 Si6\n1.0\n4.064049 -0.000000 0.670657\n2.003289 5.165074 0.509462\n0.002764 -0.042337 12.632242\nTm Fe Si\n6 2 6\ndirect\n0.748666 0.732288 0.770380 Tm\n0.251334 0.267711 0.229620 Tm\n0.523872 0.331975 0.620281 Tm\n0.476128 0.668024 0.379719 Tm\n0.399363 0.282262 0.919010 Tm\n0.600637 0.717737 0.080990 Tm\n0.752800 0.079323 0.415076 Fe\n0.247200 0.920675 0.584924 Fe\n0.143563 0.256747 0.456127 Si\n0.856438 0.743252 0.543873 Si\n0.116365 0.842510 0.924756 Si\n0.883635 0.157488 0.075244 Si\n0.053391 0.135317 0.757900 Si\n0.946610 0.864682 0.242100 Si\n",
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"structure_string": "Sm4 In2 Au4\n1.0\n8.043132 -0.000000 0.000000\n0.000000 8.043132 0.000000\n0.000000 -0.000000 3.827075\nSm In Au\n4 2 4\ndirect\n0.671195 0.171195 0.500001 Sm\n0.328805 0.828805 0.500001 Sm\n0.171195 0.328805 0.500001 Sm\n0.828805 0.671195 0.500001 Sm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 -0.000000 In\n0.128074 0.628074 -0.000000 Au\n0.871926 0.371926 -0.000000 Au\n0.628074 0.871926 -0.000000 Au\n0.371926 0.128074 -0.000000 Au\n",
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{
"id": "jvasp-110077",
"created_at": "2022-09-04T14:37:59.007172Z",
"updated_at": "2022-09-04T14:37:59.007192Z",
"structure_string": "Rb3 Tb1 F6\n1.0\n6.060573 0.131809 -3.315337\n-2.071098 5.697234 -3.315337\n-0.090212 -0.131809 6.907523\nTb Rb F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.499999 Rb\n0.249999 0.749999 0.499999 Rb\n0.499999 0.500000 -0.000001 Rb\n-0.000000 0.311212 0.311212 F\n-0.000000 0.688787 0.688786 F\n0.311213 -0.000000 0.311212 F\n0.688787 -0.000000 0.688787 F\n0.230580 0.230580 -0.000000 F\n0.769419 0.769420 -0.000001 F\n",
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"density_atomic": 0.04252168713799159,
"volume": 235.17411168442,
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"formula_full": "Rb3 Tb1 F6",
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"formula_anonymous": "AB3C6",
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{
"id": "jvasp-110076",
"created_at": "2022-09-04T14:37:54.951557Z",
"updated_at": "2022-09-04T14:37:54.951582Z",
"structure_string": "Rb2 Na1 Pd1 F6\n1.0\n5.217612 0.003039 -3.189938\n-1.638870 4.953543 -3.189938\n-0.002194 -0.003039 6.115486\nRb Na Pd F\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.500000 0.500000 -0.000001 Na\n0.000000 0.000000 0.000000 Pd\n0.234763 0.234763 0.469527 F\n0.765237 0.765236 0.530473 F\n0.234763 0.765236 -0.000001 F\n0.765236 0.234763 -0.000000 F\n0.247864 0.247864 -0.000000 F\n0.752135 0.752135 -0.000001 F\n",
"nsites": 10,
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"elements": [
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"density": 4.35488847188481,
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{
"id": "jvasp-110075",
"created_at": "2022-09-04T14:37:52.886090Z",
"updated_at": "2022-09-04T14:37:52.886107Z",
"structure_string": "Lu3 Mg3 In3\n1.0\n7.380674 -0.000000 0.000000\n-3.690337 6.391852 0.000000\n-0.000000 -0.000000 4.593019\nLu Mg In\n3 3 3\ndirect\n0.563929 0.000000 -0.000000 Lu\n-0.000000 0.563929 -0.000000 Lu\n0.436070 0.436071 -0.000000 Lu\n0.242207 0.000000 0.500000 Mg\n-0.000000 0.242207 0.500000 Mg\n0.757792 0.757793 0.500000 Mg\n0.333333 0.666666 0.500000 In\n0.666666 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
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"elements": [
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{
"id": "jvasp-110074",
"created_at": "2022-09-04T14:38:27.486128Z",
"updated_at": "2022-09-04T14:38:27.486151Z",
"structure_string": "Sr2 Ho1 U1 O6\n1.0\n5.298860 -0.000000 3.059298\n1.766287 4.995813 3.059298\n-0.000000 -0.000000 6.118596\nSr Ho U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750001 0.750000 0.750001 Sr\n0.500000 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 U\n0.753654 0.246346 0.246347 O\n0.246347 0.753653 0.753654 O\n0.246347 0.753653 0.246347 O\n0.753654 0.246346 0.753655 O\n0.246346 0.246346 0.753654 O\n0.753654 0.753653 0.246347 O\n",
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"volume": 161.97216883226446,
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"formula_full": "Sr2 Ho1 U1 O6",
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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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"formula_full": "Tb4 Mg2 Si4",
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"spacegroup": 127
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{
"id": "jvasp-110072",
"created_at": "2022-09-04T14:38:20.594779Z",
"updated_at": "2022-09-04T14:38:20.594800Z",
"structure_string": "Rb3 Ho1 Cl6\n1.0\n6.895202 -0.000000 3.980947\n2.298401 6.500859 3.980947\n-0.000000 -0.000000 7.961894\nRb Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ho\n0.768693 0.231307 0.231307 Cl\n0.231307 0.768693 0.768693 Cl\n0.231307 0.768693 0.231307 Cl\n0.768693 0.231307 0.768693 Cl\n0.231307 0.231307 0.768693 Cl\n0.768693 0.768693 0.231307 Cl\n",
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{
"id": "jvasp-110071",
"created_at": "2022-09-04T14:38:17.229274Z",
"updated_at": "2022-09-04T14:38:17.229300Z",
"structure_string": "Sm2 Si2 Ru4 C2\n1.0\n5.893461 -0.001655 0.000000\n-4.613682 3.666991 0.000000\n0.000000 -0.000000 7.183611\nSm Si Ru C\n2 2 4 2\ndirect\n0.549237 0.450762 0.250000 Sm\n0.450762 0.549237 0.750000 Sm\n0.270744 0.729255 0.250000 Si\n0.729255 0.270743 0.750000 Si\n0.835401 0.164597 0.057549 Ru\n0.164598 0.835402 0.942450 Ru\n0.164598 0.835402 0.557549 Ru\n0.835401 0.164597 0.442450 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Sm2 Si2 Ru4 C2",
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{
"id": "jvasp-110070",
"created_at": "2022-09-04T14:38:47.404769Z",
"updated_at": "2022-09-04T14:38:47.404794Z",
"structure_string": "Ce4 Sc2 Si4\n1.0\n7.293852 0.000000 0.000000\n0.000000 7.293852 0.000000\n0.000000 0.000000 4.381774\nCe Sc Si\n4 2 4\ndirect\n0.678421 0.178421 0.500000 Ce\n0.321579 0.821578 0.500000 Ce\n0.178421 0.321579 0.500000 Ce\n0.821578 0.678421 0.500000 Ce\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 -0.000000 Sc\n0.120290 0.620290 -0.000000 Si\n0.879709 0.379710 -0.000000 Si\n0.620290 0.879709 -0.000000 Si\n0.379710 0.120290 -0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:37:09.917562Z",
"updated_at": "2022-09-04T14:37:09.917592Z",
"structure_string": "Ba6 Sb2 N2\n1.0\n3.793021 -6.569705 -0.000000\n3.793021 6.569705 0.000000\n-0.000000 -0.000000 6.699676\nBa Sb N\n6 2 2\ndirect\n0.161369 0.322738 0.750000 Ba\n0.838631 0.161369 0.250000 Ba\n0.677262 0.838631 0.750000 Ba\n0.322738 0.161369 0.250000 Ba\n0.838631 0.677262 0.250000 Ba\n0.161369 0.838631 0.750000 Ba\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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{
"id": "jvasp-110069",
"created_at": "2022-09-04T14:38:12.735051Z",
"updated_at": "2022-09-04T14:38:12.735079Z",
"structure_string": "Nd2 P4 Pt4\n1.0\n4.214743 -0.005258 -9.234724\n-0.204005 4.209806 -9.234724\n0.005016 0.005258 10.151067\nNd P Pt\n2 4 4\ndirect\n0.375086 0.375086 0.000001 Nd\n0.624914 0.624914 0.000001 Nd\n0.070265 0.070265 0.000000 P\n0.929736 0.929736 0.000002 P\n0.750000 0.250000 0.500001 P\n0.250001 0.750001 0.500002 P\n0.192951 0.192951 0.000000 Pt\n0.807049 0.807049 0.000001 Pt\n0.500000 -0.000000 0.500001 Pt\n0.000001 0.500001 0.500002 Pt\n",
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}