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{
"id": "jvasp-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
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{
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"structure_string": "Cd2 Ag6\n1.0\n2.952490 -5.113863 0.000000\n2.952490 5.113863 -0.000000\n0.000000 0.000000 4.841673\nCd Ag\n2 6\ndirect\n0.666667 0.333333 0.750000 Cd\n0.333333 0.666667 0.250000 Cd\n0.834792 0.165208 0.250000 Ag\n0.834793 0.669586 0.250000 Ag\n0.330414 0.165208 0.250000 Ag\n0.165208 0.834792 0.750000 Ag\n0.165208 0.330414 0.750000 Ag\n0.669586 0.834793 0.750000 Ag\n",
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"spacegroup": 194
},
{
"id": "jvasp-10682",
"created_at": "2022-09-04T14:36:48.198829Z",
"updated_at": "2022-09-04T14:36:48.198856Z",
"structure_string": "Cd2 As2 O7\n1.0\n4.888205 0.004704 -0.608772\n-0.902794 5.517378 -1.457166\n0.003475 0.031903 5.777440\nCd As O\n2 2 7\ndirect\n0.500000 0.301732 0.698267 Cd\n0.500001 0.698267 0.301733 Cd\n0.911692 0.228894 0.228895 As\n0.088309 0.771105 0.771105 As\n0.274544 0.919089 0.605508 O\n0.725458 0.394491 0.080910 O\n0.725457 0.080910 0.394492 O\n0.274543 0.605508 0.919089 O\n0.000000 0.000000 0.000000 O\n0.779786 0.612468 0.612469 O\n0.220214 0.387530 0.387531 O\n",
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],
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"density": 5.176970191088025,
"density_atomic": 0.07046812366927513,
"volume": 156.0989483929756,
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"formula_full": "Cd2 As2 O7",
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"formula_anonymous": "A2B2C7",
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"spacegroup": 12
},
{
"id": "jvasp-102785",
"created_at": "2022-09-04T14:36:53.834800Z",
"updated_at": "2022-09-04T14:36:53.834814Z",
"structure_string": "Cd2 As2 P2\n1.0\n5.959491 0.023292 -1.183569\n-1.347469 4.072638 -4.302889\n-0.141558 -0.023292 6.074235\nCd As P\n2 2 2\ndirect\n0.250000 0.383768 0.133768 Cd\n0.750000 0.116232 0.366231 Cd\n0.947377 0.750000 0.697377 As\n0.552622 0.250000 0.802622 As\n0.578495 0.828496 0.749999 P\n0.921504 0.671504 0.249999 P\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.955151303340075,
"density_atomic": 0.04100744253086449,
"volume": 146.3149035808333,
"volume_molar": 14.685482410826769,
"formula_full": "Cd2 As2 P2",
"formula_reduced": "CdAsP",
"formula_anonymous": "ABC",
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"spacegroup": 24
},
{
"id": "jvasp-1207",
"created_at": "2022-09-04T14:36:53.262032Z",
"updated_at": "2022-09-04T14:36:53.262057Z",
"structure_string": "Cd2 As4\n1.0\n4.416163 -0.000000 1.836558\n2.208082 5.708724 0.918280\n0.015989 -0.000000 6.189356\nCd As\n2 4\ndirect\n0.250000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.684105 0.190894 0.690895 As\n0.625000 0.809105 0.690895 As\n0.565894 0.809105 0.309106 As\n0.125000 0.190894 0.309106 As\n",
"nsites": 6,
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"volume": 155.87008804265778,
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"formula_full": "Cd2 As4",
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"spacegroup": 98
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{
"id": "jvasp-19699",
"created_at": "2022-09-04T14:37:48.700786Z",
"updated_at": "2022-09-04T14:37:48.700808Z",
"structure_string": "Cd2 Au2\n1.0\n3.236520 0.000000 0.000000\n0.000000 4.817952 -0.000000\n0.000000 -0.000000 4.956074\nCd Au\n2 2\ndirect\n0.000000 0.750000 0.298312 Cd\n0.000000 0.250000 0.701687 Cd\n0.500000 0.750000 0.803431 Au\n0.500000 0.250000 0.196568 Au\n",
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"density_atomic": 0.051758471801079696,
"volume": 77.28203443434276,
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"formula_full": "Cd2 Au2",
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{
"id": "jvasp-4340",
"created_at": "2022-09-04T14:36:34.897351Z",
"updated_at": "2022-09-04T14:36:34.897397Z",
"structure_string": "Cd2 Au2\n1.0\n3.236526 0.000000 0.000000\n0.000000 4.817950 -0.000000\n0.000000 0.000000 4.956070\nCd Au\n2 2\ndirect\n0.000000 0.250000 0.298312 Cd\n0.000000 0.750000 0.701688 Cd\n0.500001 0.250000 0.803431 Au\n0.500001 0.750000 0.196569 Au\n",
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"volume": 77.28208324849612,
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"formula_full": "Cd2 Au2",
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"spacegroup": 51
},
{
"id": "jvasp-36817",
"created_at": "2022-09-04T14:38:15.341336Z",
"updated_at": "2022-09-04T14:38:15.341352Z",
"structure_string": "Cd2 Au2 O4\n1.0\n0.000000 0.000000 3.184385\n2.940248 -5.514897 0.000000\n3.720128 5.524614 0.000000\nCd Au O\n2 2 4\ndirect\n0.500001 0.500001 0.500000 Cd\n0.500001 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.176162 0.352323 O\n0.000000 0.823840 0.647677 O\n0.500001 0.391133 0.782263 O\n0.500001 0.608868 0.217737 O\n",
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"formula_full": "Cd2 Au2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 65
},
{
"id": "jvasp-36816",
"created_at": "2022-09-04T14:38:31.966682Z",
"updated_at": "2022-09-04T14:38:31.966708Z",
"structure_string": "Cd2 Au2 O4\n1.0\n-4.088476 -0.004487 0.019469\n-0.306794 -5.536882 0.012515\n1.684557 2.547818 5.219903\nCd Au O\n2 2 4\ndirect\n0.271162 0.269876 0.532820 Cd\n0.728837 0.730124 0.467181 Cd\n0.500001 0.000000 0.000000 Au\n-0.000000 0.500000 0.000000 Au\n0.681809 0.162198 0.809270 O\n0.318190 0.837802 0.190730 O\n0.716792 0.279858 0.358946 O\n0.283207 0.720142 0.641054 O\n",
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"volume": 118.4545378039294,
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"formula_full": "Cd2 Au2 O4",
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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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"formula_full": "Cd2 Au4 F16",
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{
"id": "jvasp-25599",
"created_at": "2022-09-04T14:38:18.976590Z",
"updated_at": "2022-09-04T14:38:18.976603Z",
"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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{
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"created_at": "2022-09-04T14:37:37.556623Z",
"updated_at": "2022-09-04T14:37:37.556646Z",
"structure_string": "Cd2 Au6\n1.0\n2.954201 -5.116827 0.000000\n2.954201 5.116827 -0.000000\n0.000000 -0.000000 4.885371\nCd Au\n2 6\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n0.166414 0.833586 0.750000 Au\n0.667170 0.833585 0.750000 Au\n0.166414 0.332830 0.750000 Au\n0.833586 0.166414 0.250000 Au\n0.332830 0.166414 0.250000 Au\n0.833585 0.667170 0.250000 Au\n",
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}