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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=470",
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"results": [
{
"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",
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{
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"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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"F"
],
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"density_atomic": 0.1258978477773937,
"volume": 158.8589507531773,
"volume_molar": 4.783354812107708,
"formula_full": "Ga2 H10 N4 F4",
"formula_reduced": "GaH5(NF)2",
"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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],
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"density_atomic": 0.06282111033899343,
"volume": 191.0185912863678,
"volume_molar": 9.586173704195136,
"formula_full": "K2 Pr2 Pd2 O6",
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"formula_anonymous": "ABCD3",
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},
{
"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",
"nsites": 18,
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"elements": [
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"F"
],
"chemical_system": "Al-F-K-O",
"density": 2.557186300132983,
"density_atomic": 0.063531811649079,
"volume": 283.32263054961913,
"volume_molar": 9.478937564796013,
"formula_full": "K4 Al4 O6 F4",
"formula_reduced": "K2Al2O3F2",
"formula_anonymous": "A2B2C2D3",
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"spacegroup": 12
},
{
"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": [
"Li",
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"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.550654030620059,
"density_atomic": 0.10605520507442648,
"volume": 141.43577384507844,
"volume_molar": 5.678307590630593,
"formula_full": "Li3 Fe2 Cu2 O8",
"formula_reduced": "Li3Fe2(CuO4)2",
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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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],
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"density_atomic": 0.06329198053077502,
"volume": 252.79663972942322,
"volume_molar": 9.514855925659969,
"formula_full": "Pb4 S2 O10",
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"formula_anonymous": "AB2C5",
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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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],
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"density_atomic": 0.07830128724614915,
"volume": 166.02536761794218,
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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",
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],
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"density_atomic": 0.029363345853047916,
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{
"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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{
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"created_at": "2022-09-04T14:37:29.456448Z",
"updated_at": "2022-09-04T14:37:29.456474Z",
"structure_string": "Hg1 O2\n1.0\n2.943133 2.113862 -0.408717\n-2.943133 2.113862 0.408717\n-2.154083 0.000000 4.083904\nHg O\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.555632 0.444367 0.690925 O\n0.444368 0.555631 0.309074 O\n",
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"spacegroup": 12
},
{
"id": "jvasp-50930",
"created_at": "2022-09-04T14:37:29.670171Z",
"updated_at": "2022-09-04T14:37:29.670190Z",
"structure_string": "Rb6 Y2 O6\n1.0\n3.856783 6.097230 0.146043\n-3.856783 6.097230 -0.146043\n-1.399452 0.000000 7.044564\nRb Y O\n6 2 6\ndirect\n0.360637 0.639363 0.638924 Rb\n0.798654 0.798654 0.500000 Rb\n0.201346 0.201346 0.500000 Rb\n0.258850 0.258850 0.000000 Rb\n0.741150 0.741150 -0.000000 Rb\n0.639363 0.360637 0.361076 Rb\n0.181280 0.818720 0.147452 Y\n0.818720 0.181280 0.852548 Y\n0.099009 0.900991 0.838502 O\n0.170057 0.547357 0.268333 O\n0.452643 0.829943 0.268333 O\n0.829943 0.452643 0.731667 O\n0.547357 0.170057 0.731667 O\n0.900992 0.099009 0.161497 O\n",
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"formula_full": "Rb6 Y2 O6",
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"formula_anonymous": "AB3C3",
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"spacegroup": 12
}
]
}