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"results": [
{
"id": "jvasp-112169",
"created_at": "2022-09-04T14:38:45.602727Z",
"updated_at": "2022-09-04T14:38:45.602747Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.884174 0.065607 0.338779\n1.152716 4.069112 0.427060\n0.115541 0.037834 9.086751\nCd H C O\n1 6 5 4\ndirect\n0.394660 0.388224 0.237859 Cd\n0.836101 0.304978 0.601678 H\n0.521480 0.094167 0.590780 H\n0.232866 0.777363 0.741408 H\n0.827857 0.222514 0.890653 H\n0.885926 0.597082 0.737116 H\n0.458739 0.077201 0.876318 H\n0.003394 0.931494 0.454239 C\n0.810868 0.055144 0.599319 C\n0.939811 0.835470 0.739151 C\n0.752167 -0.003631 0.879715 C\n0.845392 0.781984 0.022735 C\n0.944950 0.133511 0.336071 O\n0.218636 0.643564 0.453578 O\n0.134240 0.543676 0.021144 O\n0.632720 0.846458 0.140006 O\n",
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{
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"structure_string": "Ca4 Mg4 Ni4 H16\n1.0\n6.688846 -0.000000 0.000000\n-0.000000 6.688846 0.000000\n0.000000 -0.000000 6.688846\nCa Mg Ni H\n4 4 4 16\ndirect\n0.660200 0.839801 0.160199 Ca\n0.839801 0.160199 0.660200 Ca\n0.160199 0.660200 0.839801 Ca\n0.339801 0.339801 0.339801 Ca\n0.341977 0.158023 0.841978 Mg\n0.158023 0.841978 0.341977 Mg\n0.841978 0.341977 0.158023 Mg\n0.658023 0.658023 0.658023 Mg\n0.047692 0.047692 0.047692 Ni\n0.452308 0.952309 0.547692 Ni\n0.547692 0.452308 0.952309 Ni\n0.952309 0.547692 0.452308 Ni\n0.590526 0.090526 0.409475 H\n0.909475 0.909475 0.909475 H\n0.055649 0.564433 0.236753 H\n0.236753 0.055649 0.564433 H\n0.564433 0.236753 0.055649 H\n0.935568 0.763247 0.555649 H\n0.736754 0.444352 0.435568 H\n0.944352 0.064432 0.263247 H\n0.263247 0.944352 0.064432 H\n0.763247 0.555649 0.935568 H\n0.064432 0.263247 0.944352 H\n0.555649 0.935568 0.763247 H\n0.409475 0.590526 0.090526 H\n0.444352 0.435568 0.736754 H\n0.435568 0.736754 0.444352 H\n0.090526 0.409475 0.590526 H\n",
"nsites": 28,
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"density_atomic": 0.09356306493057369,
"volume": 299.2633901078033,
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"formula_full": "Ca4 Mg4 Ni4 H16",
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{
"id": "jvasp-112433",
"created_at": "2022-09-04T14:38:40.163988Z",
"updated_at": "2022-09-04T14:38:40.164008Z",
"structure_string": "Li5 V1 F8\n1.0\n5.055414 0.014609 -2.996213\n-1.558474 4.711715 -3.147319\n0.004946 -0.014609 5.876604\nLi V F\n5 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.234654 0.234654 -0.000000 F\n0.239626 0.767196 0.006824 F\n0.760374 0.232803 0.993176 F\n0.765345 0.765345 -0.000000 F\n0.760374 0.767196 0.527571 F\n0.729679 0.229679 0.500000 F\n0.270321 0.770320 0.499999 F\n0.239626 0.232803 0.472429 F\n",
"nsites": 14,
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"elements": [
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"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.8209597594011817,
"density_atomic": 0.10008471397459158,
"volume": 139.88150082093622,
"volume_molar": 6.017043483312381,
"formula_full": "Li5 V1 F8",
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"spacegroup": 71
},
{
"id": "jvasp-56376",
"created_at": "2022-09-04T14:38:34.008807Z",
"updated_at": "2022-09-04T14:38:34.008840Z",
"structure_string": "Na2 Ti3 Cl8\n1.0\n6.215075 0.019207 4.779001\n2.364567 5.747725 4.779001\n0.028574 0.019207 7.839973\nNa Ti Cl\n2 3 8\ndirect\n0.827604 0.827604 0.827603 Na\n0.158918 0.158918 0.158918 Na\n0.060635 0.471435 0.471435 Ti\n0.471436 0.471435 0.060635 Ti\n0.471435 0.060636 0.471435 Ti\n0.900928 0.900927 0.401778 Cl\n0.900927 0.401780 0.900926 Cl\n0.587169 0.091003 0.091003 Cl\n0.401779 0.900927 0.900926 Cl\n0.421929 0.421929 0.421929 Cl\n0.091004 0.587168 0.091003 Cl\n0.604671 0.604671 0.604671 Cl\n0.091003 0.091003 0.587168 Cl\n",
"nsites": 13,
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"elements": [
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"density": 2.820723584645637,
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"formula_full": "Na2 Ti3 Cl8",
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},
{
"id": "jvasp-99823",
"created_at": "2022-09-04T14:36:32.996921Z",
"updated_at": "2022-09-04T14:36:32.996939Z",
"structure_string": "Na3 Ag1\n1.0\n4.572938 0.000000 2.640187\n1.524312 4.311408 2.640187\n0.000000 0.000000 5.280374\nNa Ag\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ag\n",
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"volume": 104.1068055067494,
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},
{
"id": "jvasp-48716",
"created_at": "2022-09-04T14:35:53.042754Z",
"updated_at": "2022-09-04T14:35:53.042774Z",
"structure_string": "Mn2 P2 H4 C2 O12\n1.0\n5.990732 0.000000 -0.010361\n-2.995366 7.488367 0.005180\n-2.069203 0.000000 5.146931\nMn P H C O\n2 2 4 2 12\ndirect\n0.194318 0.388638 0.500000 Mn\n0.805681 0.611363 0.500000 Mn\n0.330296 0.660591 0.000000 P\n0.669704 0.339409 0.000000 P\n0.179182 0.811351 0.180229 H\n0.632167 0.811351 0.819771 H\n0.367832 0.188650 0.180229 H\n0.820818 0.188650 0.819771 H\n0.102520 -0.000000 0.447799 C\n0.897480 -0.000000 0.552201 C\n0.816585 0.216260 -0.009773 O\n0.399674 0.216260 0.009773 O\n0.611226 0.448580 0.749840 O\n0.745973 0.849155 0.590062 O\n0.254027 0.150845 0.409937 O\n0.103181 0.849155 0.409937 O\n0.600326 0.783741 -0.009773 O\n0.183414 0.783741 0.009773 O\n0.162648 0.551420 0.749840 O\n0.837352 0.448580 0.250160 O\n0.388773 0.551420 0.250160 O\n0.896818 0.150845 0.590062 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "C-H-Mn-O-P",
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"density_atomic": 0.09534751866795538,
"volume": 230.7348980586929,
"volume_molar": 6.315991065244089,
"formula_full": "Mn2 P2 H4 C2 O12",
"formula_reduced": "MnPH2CO6",
"formula_anonymous": "ABCD2E6",
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"spacegroup": 12
},
{
"id": "jvasp-102349",
"created_at": "2022-09-04T14:36:40.023859Z",
"updated_at": "2022-09-04T14:36:40.023885Z",
"structure_string": "Al6 B2 C2\n1.0\n3.492372 -0.000000 0.000000\n-1.746185 3.024483 0.000000\n-0.000000 -0.000000 11.569204\nAl B C\n6 2 2\ndirect\n0.333332 0.666666 0.424415 Al\n0.666666 0.333333 0.575585 Al\n0.666666 0.333333 0.924415 Al\n0.333332 0.666666 0.075585 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.666666 0.333333 0.750000 C\n0.333332 0.666666 0.250000 C\n",
"nsites": 10,
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],
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"density": 2.820073101346004,
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"volume": 122.20110258901535,
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"formula_full": "Al6 B2 C2",
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"spacegroup": 194
},
{
"id": "jvasp-114035",
"created_at": "2022-09-04T14:38:48.017856Z",
"updated_at": "2022-09-04T14:38:48.017906Z",
"structure_string": "Ba1 Cd1 Se1\n1.0\n4.667050 0.000000 0.000000\n0.000000 4.667050 0.000000\n0.000000 -0.000000 8.886235\nBa Cd Se\n1 1 1\ndirect\n0.000000 0.000000 0.310333 Ba\n0.000000 0.000000 0.706312 Cd\n0.000000 0.000000 -0.005911 Se\n",
"nsites": 3,
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],
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"density": 2.8199633080156254,
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"volume": 193.55424539100505,
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"formula_full": "Ba1 Cd1 Se1",
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"spacegroup": 99
},
{
"id": "jvasp-30063",
"created_at": "2022-09-04T14:38:10.665042Z",
"updated_at": "2022-09-04T14:38:10.665067Z",
"structure_string": "Zn2 H8 Cl4 O12\n1.0\n6.398494 0.000000 -0.583194\n0.000000 6.825768 0.000000\n-0.056381 0.000000 6.378833\nZn H Cl O\n2 8 4 12\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.393849 0.918814 0.189361 H\n0.893848 0.581187 0.689361 H\n0.606151 0.081187 0.810639 H\n0.106151 0.418814 0.310639 H\n0.108203 0.647338 0.370642 H\n0.608202 0.852663 0.870642 H\n0.891797 0.352663 0.629359 H\n0.391797 0.147338 0.129358 H\n0.236915 0.105288 0.584354 Cl\n0.736914 0.394712 0.084355 Cl\n0.263085 0.605289 0.915645 Cl\n0.763085 0.894712 0.415646 Cl\n0.809862 0.477019 0.608898 O\n0.057316 0.729210 0.842425 O\n0.557316 0.770790 0.342426 O\n0.942683 0.270790 0.157575 O\n0.442684 0.229210 0.657574 O\n0.451632 0.660459 0.782767 O\n0.951632 0.839542 0.282767 O\n0.548367 0.339541 0.217234 O\n0.048368 0.160459 0.717233 O\n0.190138 0.522982 0.391102 O\n0.690137 0.977019 0.891102 O\n0.309862 0.022982 0.108898 O\n",
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],
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{
"id": "jvasp-115419",
"created_at": "2022-09-04T14:38:46.881753Z",
"updated_at": "2022-09-04T14:38:46.881777Z",
"structure_string": "Na1 Li2 As1\n1.0\n-0.000000 3.204998 3.204998\n3.204998 0.000000 3.204998\n3.204998 3.204998 0.000000\nNa Li As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Li\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-101371",
"created_at": "2022-09-04T14:36:31.645453Z",
"updated_at": "2022-09-04T14:36:31.645473Z",
"structure_string": "Ta2 P8 S12 Cl10\n1.0\n6.737700 -0.005476 -0.673386\n-2.769641 10.441271 -2.135082\n0.015172 0.036961 11.287070\nTa P S Cl\n2 8 12 10\ndirect\n0.481525 0.736016 0.857718 Ta\n0.518475 0.263983 0.142282 Ta\n0.968481 0.574854 0.283793 P\n0.277020 0.834631 0.456475 P\n0.946706 0.803491 0.511899 P\n0.031519 0.425145 0.716207 P\n0.053293 0.196508 0.488100 P\n0.722979 0.165368 0.543525 P\n0.054296 0.125154 0.773100 P\n0.945703 0.874845 0.226900 P\n0.893169 0.669906 0.149018 S\n0.793414 0.886567 0.383853 S\n0.206586 0.113433 0.616147 S\n0.078949 0.611315 0.791687 S\n0.816024 0.602661 0.436648 S\n0.921051 0.388685 0.208313 S\n0.746207 0.060657 0.682629 S\n0.278517 0.645973 0.359232 S\n0.721483 0.354026 0.640767 S\n0.183975 0.397338 0.563352 S\n0.253792 0.939343 0.317371 S\n0.106831 0.330093 0.850982 S\n0.441278 0.457266 0.134080 Cl\n0.187248 0.136859 0.089525 Cl\n0.558721 0.542733 0.865920 Cl\n0.672738 0.099343 0.171532 Cl\n0.515035 0.693702 0.647776 Cl\n0.414705 0.760375 0.058845 Cl\n0.484964 0.306298 0.352223 Cl\n0.585294 0.239625 0.941155 Cl\n0.327261 0.900656 0.828468 Cl\n0.812751 0.863140 0.910475 Cl\n",
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],
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{
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"created_at": "2022-09-04T14:38:20.709774Z",
"updated_at": "2022-09-04T14:38:20.709793Z",
"structure_string": "Sr1\n1.0\n3.830280 -0.000000 -1.354209\n-1.915139 3.317120 -1.354209\n0.000000 0.000000 4.062626\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
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}
]
}