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{
"id": "jvasp-21894",
"created_at": "2022-09-04T14:37:48.280417Z",
"updated_at": "2022-09-04T14:37:48.280435Z",
"structure_string": "Na4 Cd4 Sb4\n1.0\n4.765825 -0.000000 0.000000\n0.000000 8.002835 0.000000\n0.000000 0.000000 8.606441\nNa Cd Sb\n4 4 4\ndirect\n0.750001 0.485203 0.681392 Na\n0.250000 0.514796 0.318608 Na\n0.750001 0.985203 0.818608 Na\n0.250000 0.014796 0.181392 Na\n0.750001 0.349937 0.078082 Cd\n0.250000 0.650062 0.921918 Cd\n0.750001 0.849937 0.421918 Cd\n0.250000 0.150063 0.578082 Cd\n0.750001 0.726370 0.103806 Sb\n0.250000 0.273630 0.896194 Sb\n0.750001 0.226370 0.396194 Sb\n0.250000 0.773629 0.603806 Sb\n",
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{
"id": "jvasp-86102",
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"updated_at": "2022-09-04T14:37:40.302745Z",
"structure_string": "Dy1 Ga2 Cu3\n1.0\n5.284899 0.000000 -0.000000\n-2.642450 4.576856 0.000000\n-0.000000 -0.000000 3.978897\nDy Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666668 0.000000 Ga\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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},
{
"id": "jvasp-38237",
"created_at": "2022-09-04T14:37:48.271533Z",
"updated_at": "2022-09-04T14:37:48.271557Z",
"structure_string": "Rb3 Ho1\n1.0\n0.000000 5.005178 5.005178\n5.005178 0.000000 5.005178\n5.005178 5.005178 0.000000\nRb Ho\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250001 0.250001 0.250001 Rb\n0.750000 0.750000 0.750000 Ho\n",
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"Ho"
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"density_atomic": 0.015950393979438655,
"volume": 250.7775046281818,
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"formula_full": "Rb3 Ho1",
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"spacegroup": 225
},
{
"id": "jvasp-40582",
"created_at": "2022-09-04T14:37:48.560564Z",
"updated_at": "2022-09-04T14:37:48.560574Z",
"structure_string": "Sm1 Mg1 Zn2\n1.0\n0.000000 3.446646 3.446646\n3.446646 0.000000 3.446646\n3.446646 3.446646 -0.000000\nSm Mg Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "Mg-Sm-Zn",
"density": 6.19464051904652,
"density_atomic": 0.04884723166420313,
"volume": 81.88795687538078,
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"formula_full": "Sm1 Mg1 Zn2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-91892",
"created_at": "2022-09-04T14:37:40.677322Z",
"updated_at": "2022-09-04T14:37:40.677336Z",
"structure_string": "Mg7 Si1\n1.0\n6.227290 0.000000 -0.000000\n-3.113645 5.392991 0.000000\n0.000000 -0.000000 5.065663\nMg Si\n7 1\ndirect\n0.165304 0.832651 0.250000 Mg\n0.667348 0.334695 0.250000 Mg\n0.667348 0.832651 0.250000 Mg\n0.330694 0.169306 0.750000 Mg\n0.330693 0.661388 0.750000 Mg\n0.838612 0.169306 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Si\n",
"nsites": 8,
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"elements": [
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"volume": 170.1238023576822,
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"formula_full": "Mg7 Si1",
"formula_reduced": "Mg7Si",
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"spacegroup": 187
},
{
"id": "jvasp-40282",
"created_at": "2022-09-04T14:37:48.269608Z",
"updated_at": "2022-09-04T14:37:48.269631Z",
"structure_string": "Sr1 In1 Hg2\n1.0\n-0.000000 3.789886 3.789886\n3.789886 -0.000000 3.789886\n3.789886 3.789886 0.000000\nSr In Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sr\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 108.87005325112608,
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{
"id": "jvasp-91850",
"created_at": "2022-09-04T14:37:40.691744Z",
"updated_at": "2022-09-04T14:37:40.691766Z",
"structure_string": "Sr2 Zn2 Bi4\n1.0\n4.556130 -0.000000 -0.941884\n-0.194715 4.551967 -0.941884\n0.008959 0.009351 11.533854\nSr Zn Bi\n2 2 4\ndirect\n0.877312 0.877313 0.754626 Sr\n0.122687 0.122687 0.245374 Sr\n0.249999 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.330023 0.330023 0.660048 Bi\n0.669976 0.669977 0.339953 Bi\n0.500000 -0.000000 0.000000 Bi\n-0.000001 0.500000 0.000000 Bi\n",
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"volume": 239.28492863796663,
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"formula_full": "Sr2 Zn2 Bi4",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-58243",
"created_at": "2022-09-04T14:37:40.239873Z",
"updated_at": "2022-09-04T14:37:40.239895Z",
"structure_string": "Ba1 Li1 F3\n1.0\n4.009088 0.000000 -0.000000\n-0.000000 4.009088 0.000000\n-0.000000 -0.000000 4.009088\nBa Li F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n",
"nsites": 5,
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"formula_full": "Ba1 Li1 F3",
"formula_reduced": "BaLiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-17268",
"created_at": "2022-09-04T14:37:48.262177Z",
"updated_at": "2022-09-04T14:37:48.262204Z",
"structure_string": "Pd2 F6\n1.0\n4.485781 0.031317 3.325267\n1.691568 4.154733 3.325267\n0.046213 0.031317 5.583681\nPd F\n2 6\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.749999 0.091418 0.408583 F\n0.091417 0.408583 0.750000 F\n0.591416 0.250001 0.908583 F\n0.908583 0.591418 0.250000 F\n0.250000 0.908583 0.591418 F\n0.408583 0.750000 0.091418 F\n",
"nsites": 8,
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"density": 5.27707316120873,
"density_atomic": 0.0777878080415824,
"volume": 102.8438800553874,
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"formula_full": "Pd2 F6",
"formula_reduced": "PdF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-41735",
"created_at": "2022-09-04T14:37:41.116617Z",
"updated_at": "2022-09-04T14:37:41.116640Z",
"structure_string": "Li1 Ho1 Hg2\n1.0\n-0.000000 3.518044 3.518044\n3.518044 -0.000000 3.518044\n3.518044 3.518044 0.000000\nLi Ho Hg\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Li\n0.249999 0.249999 0.249999 Ho\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"formula_full": "Li1 Ho1 Hg2",
"formula_reduced": "LiHoHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40883",
"created_at": "2022-09-04T14:37:43.918804Z",
"updated_at": "2022-09-04T14:37:43.918824Z",
"structure_string": "Pm1 Zn2 Ag1\n1.0\n-0.000000 3.398740 3.398739\n3.398741 0.000000 3.398738\n3.398741 3.398739 0.000001\nPm Zn Ag\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.499999 Zn\n0.249999 0.249999 0.249999 Ag\n",
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},
{
"id": "jvasp-25015",
"created_at": "2022-09-04T14:37:46.713828Z",
"updated_at": "2022-09-04T14:37:46.713846Z",
"structure_string": "K4 Sn1 Sb2 F14\n1.0\n6.714871 -0.004058 -0.019419\n-3.202407 6.730780 -0.022452\n-0.210850 -0.473142 7.588216\nK Sn Sb F\n4 1 2 14\ndirect\n0.282538 0.553201 0.145083 K\n0.851913 0.730206 0.413268 K\n0.717461 0.446799 0.854918 K\n0.148087 0.269794 0.586733 K\n0.000000 0.000000 0.000000 Sn\n0.402764 0.817168 0.688530 Sb\n0.597235 0.182832 0.311470 Sb\n0.594710 0.426306 0.181543 F\n0.405290 0.573695 0.818457 F\n0.154751 0.142404 0.229612 F\n0.080186 0.626961 0.672128 F\n0.845248 0.857596 0.770389 F\n0.052630 0.764432 0.063378 F\n0.714551 0.886792 0.122511 F\n0.947370 0.235568 0.936623 F\n0.721362 0.057083 0.509819 F\n0.429082 0.657517 0.480987 F\n0.285449 0.113208 0.877490 F\n0.919813 0.373039 0.327873 F\n0.278638 0.942917 0.490182 F\n0.570918 0.342483 0.519014 F\n",
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