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{
"id": "jvasp-87026",
"created_at": "2022-09-04T14:35:48.459787Z",
"updated_at": "2022-09-04T14:35:48.459805Z",
"structure_string": "As4 Pd8\n1.0\n3.297836 0.000000 -0.635328\n0.000000 6.681183 0.000000\n-0.027704 -0.000000 8.732987\nAs Pd\n4 8\ndirect\n0.204504 0.229378 0.409005 As\n0.795499 0.729377 0.590996 As\n0.558434 0.698301 0.116866 As\n0.441569 0.198301 0.883135 As\n0.673048 0.959057 0.346095 Pd\n0.326955 0.459057 0.653906 Pd\n0.414800 0.827183 0.829599 Pd\n0.585202 0.327183 0.170401 Pd\n0.171967 0.606414 0.343932 Pd\n0.828036 0.106414 0.656068 Pd\n0.962771 0.493966 0.925538 Pd\n0.037231 0.993966 0.074463 Pd\n",
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{
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"structure_string": "U2 Cu2 Sb4\n1.0\n4.354103 0.000000 0.000000\n0.000000 4.354103 0.000000\n0.000000 -0.000000 9.606344\nU Cu Sb\n2 2 4\ndirect\n0.749999 0.749999 0.748262 U\n0.250000 0.250000 0.251737 U\n0.250000 0.749999 0.500000 Cu\n0.749999 0.250000 0.500000 Cu\n0.250000 0.749999 0.000000 Sb\n0.749999 0.250000 0.000000 Sb\n0.749999 0.749999 0.332912 Sb\n0.250000 0.250000 0.667088 Sb\n",
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{
"id": "jvasp-102299",
"created_at": "2022-09-04T14:36:41.220799Z",
"updated_at": "2022-09-04T14:36:41.220819Z",
"structure_string": "Zn1 Pb3\n1.0\n4.723963 -0.000000 2.727381\n1.574654 4.453795 2.727381\n-0.000000 -0.000000 5.454762\nZn Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pb\n0.749999 0.749999 0.750000 Pb\n0.499999 0.499999 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 114.76580760124226,
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"formula_full": "Zn1 Pb3",
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"spacegroup": 225
},
{
"id": "jvasp-113213",
"created_at": "2022-09-04T14:38:45.435994Z",
"updated_at": "2022-09-04T14:38:45.436023Z",
"structure_string": "Tl6 W1 O12\n1.0\n6.453364 -0.001398 -0.957039\n-1.109234 6.357319 -0.957039\n-0.001175 -0.001398 6.523942\nTl W O\n6 1 12\ndirect\n0.306390 0.603394 0.134614 Tl\n0.865386 0.693610 0.396605 Tl\n0.396606 0.865386 0.693610 Tl\n0.603394 0.134613 0.306389 Tl\n0.134613 0.306389 0.603394 Tl\n0.693610 0.396605 0.865386 Tl\n0.000000 0.000000 0.000000 W\n0.418459 0.174928 0.599570 O\n0.400429 0.581540 0.825071 O\n0.964170 0.088592 0.288961 O\n0.825071 0.400429 0.581540 O\n0.174928 0.599571 0.418460 O\n0.581540 0.825072 0.400429 O\n0.599570 0.418460 0.174928 O\n0.088592 0.288961 0.964171 O\n0.911407 0.711038 0.035829 O\n0.288962 0.964171 0.088592 O\n0.035829 0.911407 0.711038 O\n0.711037 0.035828 0.911407 O\n",
"nsites": 19,
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"elements": [
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"W",
"O"
],
"chemical_system": "O-Tl-W",
"density": 9.940809142813054,
"density_atomic": 0.07099500297247935,
"volume": 267.6244693920951,
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"formula_full": "Tl6 W1 O12",
"formula_reduced": "Tl6WO12",
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"spacegroup": 148
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{
"id": "jvasp-22039",
"created_at": "2022-09-04T14:37:36.301810Z",
"updated_at": "2022-09-04T14:37:36.301836Z",
"structure_string": "Ca2 B4 Ir4\n1.0\n5.334900 0.018062 -1.430495\n-2.794579 4.544426 -1.430495\n-0.012585 -0.022604 6.149025\nCa B Ir\n2 4 4\ndirect\n0.875000 0.125000 0.250001 Ca\n0.125000 0.875001 0.750000 Ca\n0.552899 0.447101 0.250001 B\n0.802899 0.197101 0.750000 B\n0.197101 0.802900 0.250001 B\n0.447101 0.552900 0.750000 B\n0.505434 0.755435 0.510869 Ir\n0.755434 0.505434 0.010869 Ir\n0.494566 0.244566 0.489132 Ir\n0.244566 0.494567 0.989132 Ir\n",
"nsites": 10,
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"elements": [
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"density": 9.941040214431428,
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"formula_full": "Ca2 B4 Ir4",
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"spacegroup": 70
},
{
"id": "jvasp-106804",
"created_at": "2022-09-04T14:36:58.011502Z",
"updated_at": "2022-09-04T14:36:58.011512Z",
"structure_string": "Ho3 Er3 Mn1 Bi2\n1.0\n4.197214 0.000000 0.000000\n-0.000000 7.116699 4.108176\n-0.000000 0.000685 8.217331\nHo Er Mn Bi\n3 3 1 2\ndirect\n0.000000 0.232188 0.767812 Ho\n0.000000 0.767791 0.000011 Ho\n-0.000000 -0.000010 0.232209 Ho\n0.500000 0.611121 0.388879 Er\n0.500000 0.388861 0.000006 Er\n0.500000 0.999995 0.611139 Er\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.333331 0.333343 Bi\n0.000000 0.666657 0.666670 Bi\n",
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"elements": [
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"Bi"
],
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"volume": 245.44240208541123,
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"formula_full": "Ho3 Er3 Mn1 Bi2",
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"formula_anonymous": "AB2C3D3",
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"spacegroup": 189
},
{
"id": "jvasp-36061",
"created_at": "2022-09-04T14:37:17.110890Z",
"updated_at": "2022-09-04T14:37:17.110915Z",
"structure_string": "Sm6 Au2\n1.0\n6.900572 0.000354 0.000282\n-3.449980 5.976415 -0.000299\n0.000214 -0.000138 5.249030\nSm Au\n6 2\ndirect\n0.176531 0.353102 0.250014 Sm\n0.646916 0.823488 0.250012 Sm\n0.176504 0.823504 0.249979 Sm\n0.823473 0.646901 0.749987 Sm\n0.353081 0.176505 0.749989 Sm\n0.823491 0.176504 0.750021 Sm\n0.333329 0.666670 0.750001 Au\n0.666673 0.333331 0.250000 Au\n",
"nsites": 8,
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"density": 9.941857987151991,
"density_atomic": 0.03695491719222405,
"volume": 216.47998717971248,
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"formula_full": "Sm6 Au2",
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"spacegroup": 194
},
{
"id": "jvasp-38366",
"created_at": "2022-09-04T14:37:52.440220Z",
"updated_at": "2022-09-04T14:37:52.440250Z",
"structure_string": "Nd1 In1 Rh2\n1.0\n0.000000 3.386036 3.386036\n3.386036 0.000000 3.386036\n3.386036 3.386036 -0.000000\nNd In Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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"In",
"Rh"
],
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"density": 9.942070599131045,
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"volume": 77.64342937746561,
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"formula_full": "Nd1 In1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-67214",
"created_at": "2022-09-04T14:36:04.058238Z",
"updated_at": "2022-09-04T14:36:04.058262Z",
"structure_string": "Hf1 Mn1 Be1\n1.0\n-1.547428 1.547428 4.227295\n1.547428 -1.547428 4.227295\n1.547428 1.547428 -4.227295\nHf Mn Be\n1 1 1\ndirect\n0.332166 0.332166 0.000000 Hf\n0.641047 0.641047 0.000000 Mn\n0.026787 0.026787 0.000000 Be\n",
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"volume": 40.48959653336099,
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"formula_full": "Hf1 Mn1 Be1",
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"spacegroup": 107
},
{
"id": "jvasp-42850",
"created_at": "2022-09-04T14:36:01.018314Z",
"updated_at": "2022-09-04T14:36:01.018345Z",
"structure_string": "Pr2 Ag1 Ir1\n1.0\n-0.000000 3.649050 3.649050\n3.649050 0.000000 3.649050\n3.649050 3.649050 0.000000\nPr Ag Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Pr\n0.250001 0.250001 0.250001 Ag\n0.750000 0.750000 0.750000 Ir\n",
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"volume": 97.17833151303525,
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},
{
"id": "jvasp-63419",
"created_at": "2022-09-04T14:35:41.539432Z",
"updated_at": "2022-09-04T14:35:41.539463Z",
"structure_string": "Pu4 B16 Mo4\n1.0\n3.658247 0.000000 0.000000\n0.000000 6.012767 0.000000\n0.000000 0.000000 11.636305\nPu B Mo\n4 16 4\ndirect\n0.000000 0.125800 0.849388 Pu\n0.000000 0.874201 0.150612 Pu\n0.000000 0.374201 0.349388 Pu\n0.000000 0.625800 0.650612 Pu\n0.500000 0.974426 0.692944 B\n0.500000 0.025575 0.307057 B\n0.500000 0.525575 0.192943 B\n0.500000 0.474426 0.807057 B\n0.500000 0.884949 0.547314 B\n0.500000 0.115052 0.452687 B\n0.500000 0.615052 0.047314 B\n0.500000 0.384948 0.952687 B\n0.500000 0.866353 0.967991 B\n0.500000 0.133648 0.032010 B\n0.500000 0.633648 0.467990 B\n0.500000 0.366352 0.532010 B\n0.500000 0.787450 0.813347 B\n0.500000 0.212550 0.186653 B\n0.500000 0.712551 0.313347 B\n0.500000 0.287450 0.686653 B\n0.000000 0.131467 0.585769 Mo\n0.000000 0.868534 0.414232 Mo\n0.000000 0.368534 0.085769 Mo\n0.000000 0.631467 0.914232 Mo\n",
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{
"id": "jvasp-23447",
"created_at": "2022-09-04T14:37:40.005377Z",
"updated_at": "2022-09-04T14:37:40.005394Z",
"structure_string": "Yb4 Sb4 Pd4\n1.0\n4.655863 -0.000000 0.000000\n0.000000 7.261418 0.000000\n0.000000 0.000000 7.927010\nYb Sb Pd\n4 4 4\ndirect\n0.250000 0.492802 0.206774 Yb\n0.750000 0.507198 0.793226 Yb\n0.250000 0.992802 0.293226 Yb\n0.750000 0.007198 0.706774 Yb\n0.250000 0.298607 0.591626 Sb\n0.750000 0.201393 0.091626 Sb\n0.250000 0.798608 0.908374 Sb\n0.750000 0.701393 0.408374 Sb\n0.750000 0.307192 0.419676 Pd\n0.250000 0.192808 0.919676 Pd\n0.750000 0.807192 0.080324 Pd\n0.250000 0.692808 0.580324 Pd\n",
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"volume": 267.99768101180337,
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"formula_full": "Yb4 Sb4 Pd4",
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}