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{
"id": "jvasp-79970",
"created_at": "2022-09-04T14:36:49.340505Z",
"updated_at": "2022-09-04T14:36:49.340527Z",
"structure_string": "Li2 Cd1 Au1\n1.0\n-0.000000 3.181950 3.181950\n3.181950 -0.000000 3.181950\n3.181950 3.181950 0.000000\nLi Cd Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.749999 0.749999 0.749999 Cd\n0.250001 0.250001 0.250001 Au\n",
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{
"id": "jvasp-40270",
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"structure_string": "Li1 Cd2 Au1\n1.0\n-0.000000 3.332208 3.332208\n3.332208 -0.000000 3.332208\n3.332208 3.332208 -0.000000\nLi Cd Au\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-40587",
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"structure_string": "Li1 Cd1 Au2\n1.0\n-0.000000 3.284997 3.284997\n3.284997 -0.000000 3.284997\n3.284997 3.284997 0.000000\nLi Cd Au\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Li\n0.250000 0.250000 0.250000 Cd\n0.499999 0.499999 0.499999 Au\n0.000000 0.000000 0.000000 Au\n",
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"volume": 70.8981540081274,
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"formula_full": "Li1 Cd1 Au2",
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{
"id": "jvasp-97401",
"created_at": "2022-09-04T14:36:17.849403Z",
"updated_at": "2022-09-04T14:36:17.849434Z",
"structure_string": "La3 Cd3 Au3\n1.0\n8.000964 -0.000000 -0.000000\n-4.000482 6.929038 0.000000\n-0.000000 -0.000000 4.128064\nLa Cd Au\n3 3 3\ndirect\n0.405866 0.000000 0.000000 La\n0.594134 0.594134 0.000000 La\n0.000000 0.405866 0.000000 La\n0.745808 0.000000 0.500000 Cd\n0.254191 0.254192 0.500000 Cd\n0.000000 0.745809 0.500000 Cd\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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"elements": [
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"density": 9.758003698925474,
"density_atomic": 0.03932609538134064,
"volume": 228.85567236533484,
"volume_molar": 15.31334525231654,
"formula_full": "La3 Cd3 Au3",
"formula_reduced": "LaCdAu",
"formula_anonymous": "ABC",
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"spacegroup": 189
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{
"id": "jvasp-109119",
"created_at": "2022-09-04T14:38:15.375253Z",
"updated_at": "2022-09-04T14:38:15.375287Z",
"structure_string": "La4 Cd2 Au4\n1.0\n8.200711 -0.000000 0.000000\n0.000000 8.200711 0.000000\n-0.000000 -0.000000 3.986738\nLa Cd Au\n4 2 4\ndirect\n0.672350 0.172350 0.500000 La\n0.327650 0.827650 0.500000 La\n0.172350 0.327650 0.500000 La\n0.827650 0.672350 0.500000 La\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.128266 0.628266 -0.000000 Au\n0.871734 0.371734 -0.000000 Au\n0.628266 0.871734 -0.000000 Au\n0.371734 0.128266 -0.000000 Au\n",
"nsites": 10,
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"volume": 268.114752095155,
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"formula_full": "La4 Cd2 Au4",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-24905",
"created_at": "2022-09-04T14:37:48.480519Z",
"updated_at": "2022-09-04T14:37:48.480537Z",
"structure_string": "K4 Cd2 Au8 S8\n1.0\n6.566153 0.000000 2.530109\n2.261374 8.597493 3.916581\n0.027356 -0.039223 9.714320\nK Cd Au S\n4 2 8 8\ndirect\n0.161712 0.152792 0.847208 K\n0.661712 0.347208 0.652792 K\n0.338288 0.652792 0.347208 K\n0.838287 0.847208 0.152792 K\n0.250000 0.750000 0.750000 Cd\n0.750000 0.250000 0.250000 Cd\n-0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.132674 0.367326 0.367326 Au\n0.500000 0.500000 0.000000 Au\n0.632674 0.867326 0.867326 Au\n0.367326 0.132674 0.132674 Au\n0.867325 0.632674 0.632674 Au\n0.844302 0.485486 0.259921 S\n0.089710 0.014514 0.240079 S\n0.589710 0.740079 0.514514 S\n0.344303 0.759921 0.985486 S\n0.910290 0.985486 0.759921 S\n0.410290 0.259921 0.485486 S\n0.155697 0.514514 0.740079 S\n0.655697 0.240079 0.014514 S\n",
"nsites": 22,
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"elements": [
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"density": 6.700037651082963,
"density_atomic": 0.04010307065966368,
"volume": 548.5864208929007,
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"formula_full": "K4 Cd2 Au8 S8",
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{
"id": "jvasp-102501",
"created_at": "2022-09-04T14:36:39.420505Z",
"updated_at": "2022-09-04T14:36:39.420531Z",
"structure_string": "K2 Cd1 Au1\n1.0\n4.958319 -0.000000 2.862687\n1.652773 4.674748 2.862687\n-0.000000 -0.000000 5.725374\nK Cd Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Au\n",
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"spacegroup": 225
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{
"id": "jvasp-105899",
"created_at": "2022-09-04T14:35:55.587692Z",
"updated_at": "2022-09-04T14:35:55.587733Z",
"structure_string": "Ho3 Cd3 Au3\n1.0\n7.772379 -0.000000 0.000000\n-3.886190 6.731078 0.000000\n0.000000 -0.000000 3.848801\nHo Cd Au\n3 3 3\ndirect\n0.599081 0.000000 0.000000 Ho\n0.000000 0.599081 0.000000 Ho\n0.400919 0.400919 0.000000 Ho\n0.265761 0.000000 0.500000 Cd\n0.000000 0.265761 0.500000 Cd\n0.734239 0.734239 0.500000 Cd\n0.333333 0.666667 0.500000 Au\n0.666667 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 9,
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"elements": [
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"density_atomic": 0.04469700874104626,
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"formula_full": "Ho3 Cd3 Au3",
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"spacegroup": 189
},
{
"id": "jvasp-38812",
"created_at": "2022-09-04T14:37:49.358657Z",
"updated_at": "2022-09-04T14:37:49.358681Z",
"structure_string": "Ho1 Cd1 Au2\n1.0\n0.000000 3.465574 3.465574\n3.465574 -0.000000 3.465574\n3.465574 3.465574 0.000000\nHo Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ho\n0.250000 0.250000 0.250000 Cd\n0.499998 0.499998 0.499998 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-82029",
"created_at": "2022-09-04T14:37:14.014021Z",
"updated_at": "2022-09-04T14:37:14.014053Z",
"structure_string": "Hf1 Cd1 Au2\n1.0\n-10.886382 2.729778 -1.827909\n-7.646274 0.641329 1.188622\n-6.331086 4.361414 -1.089483\nHf Cd Au\n1 1 2\ndirect\n0.500000 -0.000000 0.000000 Hf\n0.000000 -0.000000 0.000000 Cd\n0.749781 0.000337 0.000339 Au\n0.250219 -0.000337 -0.000338 Au\n",
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},
{
"id": "jvasp-58959",
"created_at": "2022-09-04T14:38:04.721859Z",
"updated_at": "2022-09-04T14:38:04.721895Z",
"structure_string": "Cd2 Au4 F16\n1.0\n5.740327 -0.000000 0.000000\n0.000000 5.740327 -0.000000\n-0.000000 0.000000 10.425148\nCd Au F\n2 4 16\ndirect\n0.000000 0.000000 0.250000 Cd\n0.000000 0.000000 0.750000 Cd\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.310172 0.155087 0.369219 F\n0.689829 0.844914 0.369219 F\n0.155087 0.310172 0.130781 F\n0.155087 0.689829 0.369219 F\n0.844914 0.310172 0.369219 F\n0.689829 0.155087 0.130781 F\n0.310172 0.844914 0.130781 F\n0.155087 0.689829 0.630781 F\n0.310172 0.844914 0.869219 F\n0.155087 0.310172 0.869219 F\n0.844914 0.310172 0.630781 F\n0.844914 0.689829 0.869219 F\n0.310172 0.155087 0.630781 F\n0.689829 0.844914 0.630781 F\n0.844914 0.689829 0.130781 F\n0.689829 0.155087 0.869219 F\n",
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{
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"structure_string": "Cd2 Au4 F24\n1.0\n6.836310 0.115850 -2.466632\n-2.281453 6.722074 -1.562537\n-0.276287 -0.376261 9.440600\nCd Au F\n2 4 24\ndirect\n0.485290 0.235290 0.250000 Cd\n0.514710 0.764710 0.750000 Cd\n0.394431 0.246939 0.646926 Au\n0.899988 0.252495 0.146926 Au\n0.605569 0.753061 0.353074 Au\n0.100012 0.747504 0.853074 Au\n0.750245 0.576517 0.431387 F\n0.816537 0.212221 0.316198 F\n0.354869 0.681141 0.931387 F\n0.396023 0.500339 0.183802 F\n0.945784 0.472182 0.720299 F\n0.603977 0.499660 0.816198 F\n0.054216 0.527818 0.279701 F\n0.251883 0.225485 0.779701 F\n0.026754 0.714009 0.022616 F\n0.748117 0.774515 0.220299 F\n0.734235 0.969372 0.012949 F\n0.183463 0.787779 0.683802 F\n0.265765 0.030627 -0.012949 F\n0.558946 0.087027 0.736403 F\n0.441053 0.912972 0.263597 F\n0.645131 0.318859 0.068613 F\n0.249754 0.423482 0.568613 F\n-0.026754 0.285991 0.977383 F\n0.191393 0.004138 0.477384 F\n0.543576 0.278714 0.512949 F\n0.149375 0.177456 0.236403 F\n0.850624 0.822543 0.763597 F\n0.456424 0.721285 0.487051 F\n0.808608 -0.004138 0.522617 F\n",
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