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{
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"results": [
{
"id": "jvasp-9124",
"created_at": "2022-09-04T14:37:27.982703Z",
"updated_at": "2022-09-04T14:37:27.982713Z",
"structure_string": "Er6 O9\n1.0\n3.446663 -0.000000 0.000000\n-1.723331 6.822645 -1.222853\n0.000000 -0.003495 8.530955\nEr O\n6 9\ndirect\n0.532722 0.065445 0.813798 Er\n0.467277 0.934555 0.186201 Er\n0.809107 0.618213 0.862710 Er\n0.190893 0.381787 0.137290 Er\n0.864859 0.729720 0.513094 Er\n0.135141 0.270280 0.486906 Er\n0.706863 0.413726 0.623294 O\n0.293137 0.586274 0.376706 O\n0.970543 0.941088 0.343453 O\n0.029457 0.058912 0.656547 O\n0.674592 0.349186 0.968841 O\n0.325407 0.650814 0.031159 O\n0.000000 0.000000 0.000000 O\n0.372336 0.744673 0.718162 O\n0.627663 0.255327 0.281837 O\n",
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{
"id": "jvasp-30634",
"created_at": "2022-09-04T14:37:28.044885Z",
"updated_at": "2022-09-04T14:37:28.044906Z",
"structure_string": "W3 O8\n1.0\n4.611859 -0.396860 -2.177143\n-0.897274 5.332827 -2.872794\n-0.785637 -0.134174 6.522553\nW O\n3 8\ndirect\n0.500001 1.000000 0.000002 W\n1.000000 0.720617 0.000002 W\n1.000000 0.279384 0.000001 W\n-0.032326 0.372335 0.744669 O\n0.032327 0.627666 0.255332 O\n0.022776 0.890563 0.781124 O\n0.977225 0.109437 0.218877 O\n0.457998 0.332481 0.211245 O\n0.457999 0.878764 0.211246 O\n0.542003 0.121237 0.788756 O\n0.542004 0.667520 0.788756 O\n",
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"formula_full": "W3 O8",
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"formula_anonymous": "A3B8",
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"spacegroup": 12
},
{
"id": "jvasp-58420",
"created_at": "2022-09-04T14:37:29.262479Z",
"updated_at": "2022-09-04T14:37:29.262501Z",
"structure_string": "Er3 P4 Pd7\n1.0\n3.873984 0.000000 0.972822\n1.424112 7.359931 2.528805\n0.002786 0.008944 8.188823\nEr P Pd\n3 4 7\ndirect\n0.500000 0.500000 0.500000 Er\n0.180266 0.815608 0.823860 Er\n0.819734 0.184391 0.176139 Er\n0.605959 0.107911 0.680171 P\n0.394041 0.892089 0.319828 P\n0.157810 0.433511 0.250866 P\n0.842189 0.566488 0.749133 P\n0.331597 0.412984 0.923824 Pd\n0.989340 0.234910 0.786411 Pd\n0.010660 0.765089 0.213588 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.804818 0.860103 0.530259 Pd\n0.195181 0.139896 0.469740 Pd\n0.668403 0.587016 0.076175 Pd\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Er-P-Pd",
"density": 9.751864658903902,
"density_atomic": 0.05998629769534678,
"volume": 233.38663224561697,
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"formula_full": "Er3 P4 Pd7",
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"formula_anonymous": "A3B4C7",
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{
"id": "jvasp-30217",
"created_at": "2022-09-04T14:37:28.052751Z",
"updated_at": "2022-09-04T14:37:28.052778Z",
"structure_string": "Ga2 H10 N4 F4\n1.0\n-0.000000 5.909071 0.000000\n-5.422027 2.954535 -0.165196\n0.140043 0.000000 4.962544\nGa H N F\n2 10 4 4\ndirect\n0.500000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.888656 0.222687 0.570030 H\n0.952037 0.390014 0.795043 H\n0.365325 0.269349 0.923232 H\n0.270883 0.458235 0.656164 H\n0.657950 0.390014 0.795043 H\n0.634675 0.730652 0.076766 H\n0.342050 0.609987 0.204956 H\n0.047964 0.609987 0.204956 H\n0.111344 0.777314 0.429969 H\n0.729117 0.541766 0.343835 H\n0.642025 0.715952 0.280066 N\n0.144560 0.710880 0.231360 N\n0.855440 0.289121 0.768638 N\n0.357975 0.284049 0.719932 N\n0.157906 0.157442 0.241453 F\n0.315348 0.842559 0.758545 F\n0.842094 0.842559 0.758545 F\n0.684652 0.157442 0.241453 F\n",
"nsites": 20,
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"elements": [
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"N",
"F"
],
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"density_atomic": 0.1258978477773937,
"volume": 158.8589507531773,
"volume_molar": 4.783354812107708,
"formula_full": "Ga2 H10 N4 F4",
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"formula_anonymous": "AB2C2D5",
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{
"id": "jvasp-11633",
"created_at": "2022-09-04T14:37:28.135567Z",
"updated_at": "2022-09-04T14:37:28.135588Z",
"structure_string": "Ca2 Bi4 O8\n1.0\n3.536858 0.000099 0.000077\n1.768378 6.895880 -0.031728\n1.768197 1.825341 10.017156\nCa Bi O\n2 4 8\ndirect\n0.243327 0.266388 0.238997 Ca\n0.743160 0.766676 0.739119 Ca\n0.607612 0.690020 0.086770 Bi\n0.107679 0.190224 0.586594 Bi\n0.878860 0.842839 0.391517 Bi\n0.378847 0.343045 0.891341 Bi\n0.905197 0.426717 0.754972 O\n0.405297 0.926366 0.255122 O\n0.581227 0.106697 0.722992 O\n0.081270 0.606349 0.223144 O\n0.216568 0.662838 0.896108 O\n0.716682 0.162658 0.396051 O\n0.769899 0.370227 0.082010 O\n0.269833 0.870399 0.582066 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Bi-Ca-O",
"density": 7.090363692923731,
"density_atomic": 0.057255428451340226,
"volume": 244.51829946392255,
"volume_molar": 10.518025841196959,
"formula_full": "Ca2 Bi4 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-57632",
"created_at": "2022-09-04T14:37:28.291767Z",
"updated_at": "2022-09-04T14:37:28.291794Z",
"structure_string": "K2 Pr2 Pd2 O6\n1.0\n3.974641 0.000000 0.000000\n-1.987320 6.472343 -1.747191\n0.000000 -0.004180 7.426466\nK Pr Pd O\n2 2 2 6\ndirect\n0.643722 0.287444 0.565306 K\n0.356278 0.712556 0.434694 K\n0.350397 0.700793 0.919142 Pr\n0.649603 0.299206 0.080858 Pr\n0.993717 0.987433 0.231580 Pd\n0.006283 0.012566 0.768421 Pd\n0.167466 0.334932 0.863077 O\n0.152138 0.304277 0.285849 O\n0.506449 0.012898 0.804061 O\n0.847861 0.695723 0.714151 O\n0.832534 0.665068 0.136923 O\n0.493550 0.987102 0.195940 O\n",
"nsites": 12,
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"elements": [
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"Pr",
"Pd",
"O"
],
"chemical_system": "K-O-Pd-Pr",
"density": 5.814348877245955,
"density_atomic": 0.06282111033899343,
"volume": 191.0185912863678,
"volume_molar": 9.586173704195136,
"formula_full": "K2 Pr2 Pd2 O6",
"formula_reduced": "KPrPdO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.4302656749999998,
"spacegroup": 12
},
{
"id": "jvasp-39479",
"created_at": "2022-09-04T14:37:28.491367Z",
"updated_at": "2022-09-04T14:37:28.491393Z",
"structure_string": "K4 Al4 O6 F4\n1.0\n-0.149543 0.000000 -6.107826\n5.661069 4.097346 0.019418\n5.661069 -4.097346 0.019418\nK Al O F\n4 4 6 4\ndirect\n0.668631 0.159648 0.159648 K\n0.256843 0.398793 0.398793 K\n0.743158 0.601208 0.601208 K\n0.331370 0.840351 0.840351 K\n0.852073 0.672156 0.077401 Al\n0.147928 0.922600 0.327843 Al\n0.852073 0.077401 0.672156 Al\n0.147928 0.327843 0.922600 Al\n0.763972 0.878845 0.878845 O\n-0.000000 0.266752 0.733249 O\n-0.000000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.236028 0.121156 0.121156 O\n-0.000000 0.733249 0.266752 O\n0.607594 0.184629 0.551063 F\n0.607594 0.551063 0.184629 F\n0.392405 0.815371 0.448938 F\n0.392405 0.448938 0.815371 F\n",
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"elements": [
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],
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"density": 2.557186300132983,
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"volume": 283.32263054961913,
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"formula_full": "K4 Al4 O6 F4",
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},
{
"id": "jvasp-42386",
"created_at": "2022-09-04T14:37:29.295990Z",
"updated_at": "2022-09-04T14:37:29.296019Z",
"structure_string": "Li3 Fe2 Cu2 O8\n1.0\n-5.501738 0.002885 0.093767\n-0.003201 -5.503642 -0.012725\n2.627020 2.739529 4.632583\nLi Fe Cu O\n3 2 2 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n-0.000000 0.499999 0.499999 Li\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000001 0.000000 Cu\n0.282198 0.270179 0.540346 O\n0.262459 0.747231 0.494462 O\n0.702602 0.182863 0.907305 O\n0.702610 0.724450 0.907315 O\n0.297390 0.275550 0.092684 O\n0.297398 0.817137 0.092694 O\n0.737541 0.252769 0.505537 O\n0.717802 0.729821 0.459653 O\n",
"nsites": 15,
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"elements": [
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"Cu",
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],
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"density": 4.550654030620059,
"density_atomic": 0.10605520507442648,
"volume": 141.43577384507844,
"volume_molar": 5.678307590630593,
"formula_full": "Li3 Fe2 Cu2 O8",
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{
"id": "jvasp-12387",
"created_at": "2022-09-04T14:37:28.752112Z",
"updated_at": "2022-09-04T14:37:28.752143Z",
"structure_string": "Pb4 S2 O10\n1.0\n5.278268 0.000000 -2.187336\n-1.172006 6.395065 -2.828170\n0.004215 0.029144 7.472342\nPb S O\n4 2 10\ndirect\n0.523855 0.273062 0.047710 Pb\n0.476145 0.726937 0.952288 Pb\n0.147879 0.109362 0.295759 Pb\n0.852121 0.890636 0.704240 Pb\n0.831292 0.343512 0.662582 S\n0.168708 0.656487 0.337417 S\n0.746957 0.000000 -0.000000 O\n0.253043 0.000000 -0.000000 O\n0.715534 0.299316 0.431067 O\n0.284466 0.700682 0.568932 O\n0.933409 0.752885 0.291456 O\n0.641952 0.247114 0.708543 O\n0.898701 0.572638 0.797400 O\n0.101299 0.427361 0.202599 O\n0.358048 0.752885 0.291456 O\n0.066592 0.247114 0.708543 O\n",
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"volume": 252.79663972942322,
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"formula_full": "Pb4 S2 O10",
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"spacegroup": 12
},
{
"id": "jvasp-30638",
"created_at": "2022-09-04T14:37:28.855334Z",
"updated_at": "2022-09-04T14:37:28.855355Z",
"structure_string": "Mg2 Sn3 O8\n1.0\n5.294272 0.296739 -1.102744\n-0.906675 5.388699 -2.902893\n0.327890 -0.323726 5.891264\nMg Sn O\n2 3 8\ndirect\n0.576609 0.704629 0.409258 Mg\n0.423392 0.295372 0.590744 Mg\n0.500000 0.999999 0.000001 Sn\n0.000001 0.742200 0.999998 Sn\n0.000000 0.257798 0.999998 Sn\n0.134968 0.394014 0.788030 O\n0.865031 0.605985 0.211971 O\n0.136004 0.893812 0.787623 O\n0.863996 0.106188 0.212376 O\n0.362566 0.352706 0.250430 O\n0.362567 0.897724 0.250430 O\n0.637433 0.102275 0.749570 O\n0.637433 0.647294 0.749571 O\n",
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"formula_full": "Mg2 Sn3 O8",
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{
"id": "jvasp-12080",
"created_at": "2022-09-04T14:37:29.200587Z",
"updated_at": "2022-09-04T14:37:29.200606Z",
"structure_string": "U2 Br8\n1.0\n7.011114 0.038819 0.437366\n0.352482 6.875575 1.578836\n0.048595 -0.029407 7.063092\nU Br\n2 8\ndirect\n0.438146 0.802447 0.802448 U\n0.561853 0.197552 0.197553 U\n0.333208 0.559051 0.174619 Br\n0.666791 0.825381 0.440950 Br\n0.756602 0.942147 0.942148 Br\n0.243397 0.057852 0.057853 Br\n0.855718 0.333515 0.333516 Br\n0.144281 0.666484 0.666485 Br\n0.333208 0.174618 0.559051 Br\n0.666791 0.440948 0.825382 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-U",
"density": 5.438039727873502,
"density_atomic": 0.029363345853047916,
"volume": 340.56064489537727,
"volume_molar": 20.509041408763373,
"formula_full": "U2 Br8",
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"formula_anonymous": "AB4",
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"spacegroup": 12
},
{
"id": "jvasp-29874",
"created_at": "2022-09-04T14:37:29.356756Z",
"updated_at": "2022-09-04T14:37:29.356781Z",
"structure_string": "Ag4 Sb4 S8\n1.0\n3.944818 0.000000 -0.000000\n-1.972408 8.112119 -0.045306\n0.000000 1.640942 11.462849\nAg Sb S\n4 4 8\ndirect\n0.713351 0.927021 0.868382 Ag\n0.795230 0.090882 0.619105 Ag\n0.295653 0.090882 0.119105 Ag\n0.213670 0.927021 0.368382 Ag\n0.071992 0.643482 0.111924 Sb\n0.437425 0.374418 0.375578 Sb\n0.571490 0.643482 0.611924 Sb\n0.936992 0.374418 0.875578 Sb\n0.564408 0.628933 0.828183 S\n0.186105 0.872328 0.601679 S\n0.322734 0.145572 0.885822 S\n0.822838 0.145572 0.385822 S\n0.944424 0.388964 0.659324 S\n0.444539 0.388964 0.159324 S\n0.064528 0.628934 0.328183 S\n0.686225 0.872328 0.101679 S\n",
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"volume": 367.1139927126187,
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"formula_full": "Ag4 Sb4 S8",
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}
]
}