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{
"id": "jvasp-50194",
"created_at": "2022-09-04T14:37:05.762820Z",
"updated_at": "2022-09-04T14:37:05.762845Z",
"structure_string": "Ba6 Zr1 O8\n1.0\n-0.000000 5.429332 5.429332\n5.429332 -0.000000 5.429332\n5.429332 5.429332 -0.000000\nBa Zr O\n6 1 8\ndirect\n0.500000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.799450 0.200550 0.200550 O\n0.250000 0.250000 0.250000 O\n0.200550 0.799450 0.200550 O\n0.200550 0.200550 0.799450 O\n0.799450 0.799450 0.200550 O\n0.799450 0.200550 0.799450 O\n0.750000 0.750000 0.750000 O\n0.200550 0.799450 0.799450 O\n",
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"formula_full": "Si2 Cu4 Se6",
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{
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"structure_string": "Nd2 Te1 O2\n1.0\n3.893646 -0.000000 -1.171931\n-0.352734 3.877636 -1.171931\n0.003148 0.003447 7.064582\nNd Te O\n2 1 2\ndirect\n0.659154 0.659154 0.318306 Nd\n0.340849 0.340848 0.681695 Nd\n0.000000 0.000000 0.000000 Te\n0.250002 0.750001 0.500000 O\n0.750001 0.250001 0.500000 O\n",
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"spacegroup": 139
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{
"id": "jvasp-105890",
"created_at": "2022-09-04T14:36:05.896216Z",
"updated_at": "2022-09-04T14:36:05.896242Z",
"structure_string": "Sm2 Ag2 As4\n1.0\n4.039291 0.000000 0.000000\n-0.000000 4.039291 0.000000\n-0.000000 -0.000000 10.462602\nSm Ag As\n2 2 4\ndirect\n0.500000 0.000000 0.227706 Sm\n0.000000 0.500000 0.772294 Sm\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.000000 0.683627 As\n0.000000 0.500000 0.316373 As\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.000000 As\n",
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{
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"structure_string": "Sr1 Be1 Ge1\n1.0\n-1.699481 1.699481 5.540932\n1.699481 -1.699481 5.540932\n1.699481 1.699481 -5.540932\nSr Be Ge\n1 1 1\ndirect\n0.665123 0.665123 0.000000 Sr\n0.958682 0.958682 0.000000 Be\n0.376194 0.376194 0.000000 Ge\n",
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{
"id": "jvasp-119707",
"created_at": "2022-09-04T14:38:52.495912Z",
"updated_at": "2022-09-04T14:38:52.495935Z",
"structure_string": "La1 Mo6 Se8\n1.0\n6.840362 0.003199 0.165950\n0.162051 6.838443 0.165950\n0.003274 0.003199 6.842373\nLa Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.761030 0.438433 0.576616 Mo\n0.438432 0.576616 0.761030 Mo\n0.576616 0.761030 0.438433 Mo\n0.423383 0.238970 0.561567 Mo\n0.561567 0.423384 0.238969 Mo\n0.238969 0.561567 0.423384 Mo\n0.622161 0.246265 0.880694 Se\n0.880694 0.622163 0.246264 Se\n0.757605 0.757606 0.757606 Se\n0.246264 0.880695 0.622163 Se\n0.753735 0.119305 0.377837 Se\n0.242394 0.242394 0.242394 Se\n0.119305 0.377837 0.753735 Se\n0.377838 0.753735 0.119305 Se\n",
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{
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"created_at": "2022-09-04T14:36:06.451506Z",
"updated_at": "2022-09-04T14:36:06.451525Z",
"structure_string": "Ag8 P4 S14\n1.0\n6.277961 0.001224 -0.879470\n-3.036002 5.544963 -0.471534\n0.089089 -0.056535 15.931208\nAg P S\n8 4 14\ndirect\n0.204834 0.036709 0.662070 Ag\n0.795165 0.963289 0.337931 Ag\n0.125359 0.457235 0.162070 Ag\n0.193988 0.178472 0.949526 Ag\n0.728948 0.244462 0.550475 Ag\n0.806011 0.821526 0.050475 Ag\n0.271052 0.755536 0.449526 Ag\n0.874640 0.542763 0.837931 Ag\n0.563803 0.929118 0.857215 P\n0.428096 0.293411 0.357215 P\n0.436196 0.070880 0.142785 P\n0.571904 0.706587 0.642785 P\n0.469052 0.377170 0.101004 S\n0.223833 0.631951 0.601004 S\n0.530948 0.622828 0.898996 S\n0.388207 0.585950 0.323386 S\n0.250299 0.000299 0.250000 S\n0.611792 0.414048 0.676614 S\n0.182381 0.762558 0.060504 S\n0.202054 0.121876 0.439496 S\n0.817618 0.237440 0.939496 S\n0.762564 0.064821 0.176614 S\n0.749700 -0.000301 0.750000 S\n0.776166 0.368047 0.398996 S\n0.237435 0.935177 0.823386 S\n0.797945 0.878122 0.560504 S\n",
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{
"id": "jvasp-19104",
"created_at": "2022-09-04T14:36:40.120144Z",
"updated_at": "2022-09-04T14:36:40.120172Z",
"structure_string": "Ca12 As4 N4\n1.0\n6.699943 -0.000000 0.000000\n0.000000 6.698078 0.000000\n0.000000 0.000000 9.508850\nCa As N\n12 4 4\ndirect\n0.039923 0.493953 0.250000 Ca\n0.717195 0.282816 0.479414 Ca\n0.782805 0.782816 0.020586 Ca\n0.282805 0.717184 0.979414 Ca\n0.282805 0.717184 0.520586 Ca\n0.217195 0.217184 0.979414 Ca\n0.217195 0.217184 0.520586 Ca\n0.717195 0.282816 0.020586 Ca\n0.960077 0.506047 0.750000 Ca\n0.539922 0.006047 0.750000 Ca\n0.460077 0.993953 0.250000 Ca\n0.782805 0.782816 0.479414 Ca\n0.001940 0.982960 0.750000 As\n0.498060 0.482960 0.750000 As\n0.501940 0.517040 0.250000 As\n0.998060 0.017040 0.250000 As\n-0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
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{
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"updated_at": "2022-09-04T14:36:53.586082Z",
"structure_string": "Ca1 Al2 Si2\n1.0\n2.085112 -3.611520 0.000000\n2.085112 3.611520 -0.000000\n-0.000000 0.000000 7.083326\nCa Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.368119 Al\n0.666666 0.333332 0.631882 Al\n0.333332 0.666666 0.737730 Si\n0.666666 0.333332 0.262270 Si\n",
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{
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"created_at": "2022-09-04T14:38:36.066332Z",
"updated_at": "2022-09-04T14:38:36.066360Z",
"structure_string": "Nb1 W5 Se12\n1.0\n-1.845322 -2.805195 -0.000066\n6.370002 -6.199814 -0.000130\n-1.508232 3.002023 13.102956\nNb W Se\n1 5 12\ndirect\n0.692843 0.364487 0.750001 Nb\n0.972140 0.305515 0.250000 W\n0.363340 0.023522 0.749999 W\n0.305437 0.638869 0.249942 W\n0.027134 0.695939 0.750001 W\n0.638791 0.972279 0.250057 W\n0.818515 0.485181 0.122452 Se\n0.903492 0.570211 0.377365 Se\n0.515535 0.847077 0.877891 Se\n0.765251 0.092114 0.622450 Se\n0.485181 0.151926 0.122532 Se\n0.570205 0.236952 0.377535 Se\n0.850314 0.177158 0.877547 Se\n0.236884 0.903571 0.377503 Se\n0.151859 0.818659 0.122613 Se\n0.430245 0.761800 0.622111 Se\n0.092863 0.433835 0.619420 Se\n0.179951 0.520900 0.880581 Se\n",
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{
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"structure_string": "P2 Br1\n1.0\n3.288155 0.000000 1.012189\n0.000000 2.662541 0.000000\n-0.572849 0.000000 7.134228\nP Br\n2 1\ndirect\n-0.497793 0.000000 -0.592960 P\n0.097725 0.000000 0.192958 P\n0.800068 0.000000 -0.199998 Br\n",
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]
}