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{
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{
"id": "jvasp-110968",
"created_at": "2022-09-04T14:38:38.400464Z",
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{
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"structure_string": "Y2 P2 Os4 C2\n1.0\n5.914773 -0.009825 0.000000\n-4.667699 3.632800 -0.000000\n0.000000 -0.000000 7.066124\nY P Os C\n2 2 4 2\ndirect\n0.543181 0.456819 0.250000 Y\n0.456819 0.543182 0.750000 Y\n0.268386 0.731615 0.250000 P\n0.731614 0.268387 0.750000 P\n0.834687 0.165314 0.051969 Os\n0.165313 0.834687 0.948031 Os\n0.165313 0.834687 0.551968 Os\n0.834687 0.165314 0.448031 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "jvasp-110899",
"created_at": "2022-09-04T14:38:37.186694Z",
"updated_at": "2022-09-04T14:38:37.186716Z",
"structure_string": "Tm2 Si2 Os4 C2\n1.0\n5.923051 -0.012453 0.000000\n-4.682828 3.626818 0.000000\n-0.000000 0.000000 7.096937\nTm Si Os C\n2 2 4 2\ndirect\n0.546700 0.453301 0.250000 Tm\n0.453300 0.546701 0.750000 Tm\n0.268511 0.731490 0.250000 Si\n0.731490 0.268511 0.750000 Si\n0.835807 0.164194 0.056288 Os\n0.164193 0.835807 0.943712 Os\n0.164193 0.835807 0.556288 Os\n0.835807 0.164194 0.443712 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.06577159414131989,
"volume": 152.04132012542584,
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"formula_full": "Tm2 Si2 Os4 C2",
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"spacegroup": 63
},
{
"id": "jvasp-110897",
"created_at": "2022-09-04T14:38:37.419012Z",
"updated_at": "2022-09-04T14:38:37.419040Z",
"structure_string": "Nd2 Si2 Os4 C2\n1.0\n5.926886 -0.002504 0.000000\n-4.589529 3.750227 0.000000\n-0.000000 -0.000000 7.204064\nNd Si Os C\n2 2 4 2\ndirect\n0.549163 0.450839 0.250000 Nd\n0.450839 0.549163 0.750000 Nd\n0.270434 0.729568 0.250000 Si\n0.729568 0.270434 0.750000 Si\n0.834049 0.165953 0.058796 Os\n0.165953 0.834049 0.941204 Os\n0.165953 0.834049 0.558795 Os\n0.834049 0.165953 0.441204 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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],
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"density": 11.72020767593563,
"density_atomic": 0.062483149189664584,
"volume": 160.04314970817944,
"volume_molar": 9.638023752164095,
"formula_full": "Nd2 Si2 Os4 C2",
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{
"id": "jvasp-111088",
"created_at": "2022-09-04T14:38:37.288884Z",
"updated_at": "2022-09-04T14:38:37.288894Z",
"structure_string": "Ce1 Zn1 Cu1 P2\n1.0\n4.025951 -0.000000 0.000000\n-2.012976 3.486576 0.000000\n0.000000 0.000000 6.693678\nCe Zn Cu P\n1 1 1 2\ndirect\n0.333333 0.666667 0.988461 Ce\n0.000000 0.000000 0.372261 Zn\n0.666666 0.333334 0.643570 Cu\n0.666666 0.333334 0.260493 P\n0.000000 0.000000 0.735217 P\n",
"nsites": 5,
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],
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{
"id": "jvasp-12493",
"created_at": "2022-09-04T14:38:03.233246Z",
"updated_at": "2022-09-04T14:38:03.233261Z",
"structure_string": "Pb4 Cl2 O2 F2\n1.0\n5.261376 -0.000000 -2.399962\n0.000000 5.796715 -0.000000\n-0.015164 0.000000 6.933930\nPb Cl O F\n4 2 2 2\ndirect\n0.895888 0.221195 0.291774 Pb\n0.104114 0.778804 0.708227 Pb\n0.604114 0.221195 0.708227 Pb\n0.395888 0.778804 0.291773 Pb\n0.750001 0.779527 0.000000 Cl\n0.250000 0.220473 0.000000 Cl\n0.750001 0.000000 0.500001 O\n0.250001 0.000000 0.500000 O\n0.250001 0.500000 0.500000 F\n0.750001 0.500000 0.500001 F\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
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"elements": [
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"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
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"formula_full": "Cd4 Sb4 S8 Cl4",
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{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
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{
"id": "jvasp-99968",
"created_at": "2022-09-04T14:36:34.919133Z",
"updated_at": "2022-09-04T14:36:34.919168Z",
"structure_string": "Li2 Nb2 O4 F2\n1.0\n4.706328 -0.005399 2.435144\n1.831871 4.335182 2.435144\n0.011046 0.007315 5.609363\nLi Nb O F\n2 2 4 2\ndirect\n0.727462 0.331676 0.676402 Li\n0.331676 0.727461 0.176403 Li\n0.493266 0.997956 0.520095 Nb\n0.997957 0.493265 0.020096 Nb\n0.621644 0.700534 0.315164 O\n0.241989 0.358308 0.276329 O\n0.358309 0.241989 0.776329 O\n0.700535 0.621644 0.815163 O\n0.921644 0.061522 0.278004 F\n0.061522 0.921644 0.778004 F\n",
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"formula_full": "Li2 Nb2 O4 F2",
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{
"id": "jvasp-101048",
"created_at": "2022-09-04T14:36:35.492811Z",
"updated_at": "2022-09-04T14:36:35.492833Z",
"structure_string": "Y2 P2 Ru4 C2\n1.0\n5.846705 -0.006364 0.000000\n-4.620358 3.582777 0.000000\n-0.000000 -0.000000 7.069793\nY P Ru C\n2 2 4 2\ndirect\n0.543690 0.456311 0.250000 Y\n0.456310 0.543691 0.750000 Y\n0.268238 0.731763 0.250000 P\n0.731762 0.268239 0.750000 P\n0.834791 0.165210 0.053114 Ru\n0.165209 0.834792 0.946885 Ru\n0.165209 0.834792 0.553114 Ru\n0.834791 0.165210 0.446886 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:38:34.134149Z",
"updated_at": "2022-09-04T14:38:34.134182Z",
"structure_string": "B4 H8 C4 O4\n1.0\n5.220288 2.218037 -0.864115\n-5.220288 2.218037 0.864115\n-0.243375 0.000000 10.033490\nB H C O\n4 8 4 4\ndirect\n0.642958 0.485924 0.485251 B\n0.485923 0.642958 0.014749 B\n0.357044 0.514078 0.514749 B\n0.514078 0.357044 -0.014749 B\n0.515908 0.205536 0.485850 H\n0.205536 0.515908 0.014150 H\n0.794465 0.484094 0.985850 H\n0.484093 0.794466 0.514150 H\n0.806374 0.662098 0.389514 H\n0.337904 0.193627 0.889514 H\n0.193627 0.337904 0.610485 H\n0.662097 0.806375 0.110486 H\n0.861094 0.618367 0.612633 C\n0.618366 0.861095 0.887367 C\n0.138907 0.381635 0.387367 C\n0.381635 0.138907 0.112633 C\n-0.015668 0.281064 0.286353 O\n0.015668 0.718937 0.713647 O\n0.718937 0.015669 0.786352 O\n0.281064 -0.015667 0.213647 O\n",
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{
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"created_at": "2022-09-04T14:37:10.100908Z",
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"structure_string": "La1 Zn1 Ag1 P2\n1.0\n4.227452 -0.000000 -0.000000\n-2.113726 3.661081 0.000000\n-0.000000 -0.000000 6.857012\nLa Zn Ag P\n1 1 1 2\ndirect\n0.666666 0.333333 0.012294 La\n0.333332 0.666667 0.624659 Zn\n0.000000 0.000000 0.361860 Ag\n0.000000 0.000000 0.747573 P\n0.333332 0.666667 0.253614 P\n",
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}
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}