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{
"id": "jvasp-86192",
"created_at": "2022-09-04T14:35:49.155422Z",
"updated_at": "2022-09-04T14:35:49.155449Z",
"structure_string": "Zr4 Ir4\n1.0\n3.392747 0.000000 -0.582864\n0.000000 4.358677 -0.000000\n-0.021785 -0.000000 10.038910\nZr Ir\n4 4\ndirect\n0.695086 0.750000 0.390169 Zr\n0.438773 0.750000 0.877543 Zr\n0.304916 0.250000 0.609832 Zr\n0.561229 0.250000 0.122458 Zr\n0.056500 0.750000 0.113000 Ir\n0.831547 0.750000 0.663092 Ir\n0.943502 0.250000 0.887000 Ir\n0.168455 0.250000 0.336909 Ir\n",
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{
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"structure_string": "Li2 Pr2 Sn4\n1.0\n-4.540780 0.000000 0.000000\n0.000000 -0.000000 -4.536187\n2.270390 -9.562340 -0.000000\nLi Pr Sn\n2 2 4\ndirect\n0.675817 0.750000 0.351632 Li\n0.324183 0.250000 0.648367 Li\n0.893650 0.750000 0.787299 Pr\n0.106350 0.250000 0.212701 Pr\n0.544694 0.750000 0.089389 Sn\n0.455305 0.250000 0.910611 Sn\n0.250122 0.750000 0.500245 Sn\n0.749877 0.250000 0.499755 Sn\n",
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{
"id": "jvasp-16227",
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"updated_at": "2022-09-04T14:35:49.214175Z",
"structure_string": "Y2 Si2\n1.0\n3.858121 0.000000 0.000000\n-0.000000 3.973298 -1.604645\n0.000000 -0.006660 5.705020\nY Si\n2 2\ndirect\n0.250000 0.859654 0.719309 Y\n0.750000 0.140346 0.280692 Y\n0.250000 0.577386 0.154773 Si\n0.750000 0.422614 0.845228 Si\n",
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"spacegroup": 63
},
{
"id": "jvasp-18517",
"created_at": "2022-09-04T14:35:49.235762Z",
"updated_at": "2022-09-04T14:35:49.235782Z",
"structure_string": "Ca4 Au2 N2\n1.0\n3.457088 0.000000 -0.685399\n0.000000 4.934211 -0.000000\n0.033336 -0.000000 9.229461\nCa Au N\n4 2 2\ndirect\n0.603656 0.250000 0.207311 Ca\n0.396346 0.750000 0.792689 Ca\n0.784099 0.250000 0.568196 Ca\n0.215902 0.750000 0.431804 Ca\n0.042877 0.750000 0.085753 Au\n0.957125 0.250000 0.914247 Au\n0.806840 0.750000 0.613677 N\n0.193162 0.250000 0.386323 N\n",
"nsites": 8,
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"elements": [
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"volume": 157.54889997978506,
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"formula_full": "Ca4 Au2 N2",
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{
"id": "jvasp-91587",
"created_at": "2022-09-04T14:35:49.320283Z",
"updated_at": "2022-09-04T14:35:49.320315Z",
"structure_string": "Tm2 Co2 Ge4\n1.0\n0.000000 -0.000000 -4.139645\n-4.067109 0.000000 0.000000\n2.033554 8.291179 0.000000\nTm Co Ge\n2 2 4\ndirect\n0.750001 0.110199 0.220398 Tm\n0.250000 0.889802 0.779603 Tm\n0.750001 0.320759 0.641516 Co\n0.250000 0.679243 0.358484 Co\n0.750001 0.456139 0.912276 Ge\n0.250000 0.543863 0.087724 Ge\n0.750001 0.748644 0.497286 Ge\n0.250000 0.251357 0.502714 Ge\n",
"nsites": 8,
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"elements": [
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"volume": 139.59350194775584,
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{
"id": "jvasp-105979",
"created_at": "2022-09-04T14:35:49.540076Z",
"updated_at": "2022-09-04T14:35:49.540103Z",
"structure_string": "Ti4 Nb2 Al2\n1.0\n5.642924 -0.010252 0.000000\n-2.391644 5.111040 0.000000\n0.000000 0.000000 4.674211\nTi Nb Al\n4 2 2\ndirect\n0.860990 0.665293 0.750000 Ti\n0.665293 0.860990 0.250000 Ti\n0.139010 0.334707 0.250000 Ti\n0.334707 0.139010 0.750000 Ti\n0.361581 0.638419 0.750000 Nb\n0.638419 0.361581 0.250000 Nb\n0.837324 0.162676 0.750000 Al\n0.162676 0.837324 0.250000 Al\n",
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"volume": 134.69529474137687,
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"formula_full": "Ti4 Nb2 Al2",
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{
"id": "jvasp-108006",
"created_at": "2022-09-04T14:35:49.645325Z",
"updated_at": "2022-09-04T14:35:49.645355Z",
"structure_string": "Er2 Si2 Ru4 C2\n1.0\n5.893094 -0.009790 0.000000\n-4.685951 3.573585 0.000000\n-0.000000 -0.000000 7.118552\nEr Si Ru C\n2 2 4 2\ndirect\n0.546444 0.453557 0.250000 Er\n0.453556 0.546445 0.750000 Er\n0.268337 0.731664 0.250000 Si\n0.731663 0.268337 0.750000 Si\n0.836596 0.163404 0.055583 Ru\n0.163404 0.836598 0.944417 Ru\n0.163404 0.836598 0.555583 Ru\n0.836596 0.163404 0.444417 Ru\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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"Ru",
"C"
],
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"density": 9.091506435859522,
"density_atomic": 0.06685100520850124,
"volume": 149.58638196704828,
"volume_molar": 9.008302479846904,
"formula_full": "Er2 Si2 Ru4 C2",
"formula_reduced": "ErSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
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{
"id": "jvasp-90618",
"created_at": "2022-09-04T14:35:49.714884Z",
"updated_at": "2022-09-04T14:35:49.714910Z",
"structure_string": "Lu2 Ni2 Ge4\n1.0\n0.000000 0.000000 -4.164508\n-3.941207 -0.000000 0.000000\n1.970604 8.468459 0.000000\nLu Ni Ge\n2 2 4\ndirect\n0.750000 0.107330 0.214660 Lu\n0.250000 0.892672 0.785340 Lu\n0.750000 0.326097 0.652192 Ni\n0.250000 0.673905 0.347808 Ni\n0.750000 0.460379 0.920755 Ge\n0.250000 0.539623 0.079245 Ge\n0.750000 0.746500 0.492997 Ge\n0.250000 0.253502 0.507003 Ge\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.054253860190698,
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"volume": 138.99441032455823,
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"formula_full": "Lu2 Ni2 Ge4",
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"spacegroup": 63
},
{
"id": "jvasp-86742",
"created_at": "2022-09-04T14:35:49.740354Z",
"updated_at": "2022-09-04T14:35:49.740372Z",
"structure_string": "Dy2 Fe4 Si2 C2\n1.0\n3.742703 0.000000 0.000000\n-1.871351 5.230198 -0.000000\n0.000000 0.000000 6.725924\nDy Fe Si C\n2 4 2 2\ndirect\n0.949228 0.898457 0.250000 Dy\n0.050772 0.101543 0.750000 Dy\n0.664924 0.329849 0.062073 Fe\n0.335076 0.670151 0.562073 Fe\n0.664924 0.329849 0.437927 Fe\n0.335076 0.670151 0.937926 Fe\n0.229325 0.458649 0.250000 Si\n0.770675 0.541351 0.750000 Si\n0.500000 0.000000 0.000000 C\n0.500000 0.000000 0.500000 C\n",
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"spacegroup": 63
},
{
"id": "jvasp-18520",
"created_at": "2022-09-04T14:35:49.750876Z",
"updated_at": "2022-09-04T14:35:49.750896Z",
"structure_string": "Li4 Ga2\n1.0\n4.333522 -0.000000 0.000000\n-0.000000 4.031864 -1.927621\n0.000000 0.007416 5.195899\nLi Ga\n4 2\ndirect\n0.250000 0.586062 0.172124 Li\n0.750000 0.413938 0.827877 Li\n0.750000 0.759041 0.518083 Li\n0.250000 0.240959 0.481917 Li\n0.250000 0.920017 0.840033 Ga\n0.750000 0.079983 0.159967 Ga\n",
"nsites": 6,
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"volume": 90.8455863448465,
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},
{
"id": "jvasp-62223",
"created_at": "2022-09-04T14:35:49.830505Z",
"updated_at": "2022-09-04T14:35:49.830525Z",
"structure_string": "Rb4 Cd10 As8\n1.0\n3.866204 -6.288007 0.000000\n3.866204 6.288007 0.000000\n-0.000000 0.000000 12.630318\nRb Cd As\n4 10 8\ndirect\n0.792902 0.207097 0.500000 Rb\n0.207097 0.792902 0.500000 Rb\n0.792902 0.207097 0.000000 Rb\n0.207097 0.792902 0.000000 Rb\n0.994011 0.994011 0.250000 Cd\n0.005988 0.005988 0.750000 Cd\n0.347740 0.347740 0.104539 Cd\n0.652259 0.652259 0.604539 Cd\n0.347740 0.347740 0.395461 Cd\n0.652259 0.652259 0.895461 Cd\n0.469677 0.765988 0.250000 Cd\n0.530322 0.234011 0.750000 Cd\n0.234011 0.530322 0.750000 Cd\n0.765988 0.469677 0.250000 Cd\n0.724519 0.724519 0.101103 As\n0.275480 0.275480 0.601103 As\n0.724519 0.724519 0.398897 As\n0.275480 0.275480 0.898897 As\n0.404220 0.092404 0.250000 As\n0.595779 0.907595 0.750000 As\n0.092404 0.404220 0.250000 As\n0.907595 0.595779 0.750000 As\n",
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{
"id": "jvasp-92214",
"created_at": "2022-09-04T14:35:50.184654Z",
"updated_at": "2022-09-04T14:35:50.184680Z",
"structure_string": "Ce2 Ni2 Ge4\n1.0\n4.242996 -0.000000 -0.000000\n-0.000000 4.099963 -1.037324\n0.000000 -0.016018 8.557781\nCe Ni Ge\n2 2 4\ndirect\n0.250000 0.891866 0.783735 Ce\n0.750001 0.108133 0.216265 Ce\n0.250000 0.681704 0.363410 Ni\n0.750001 0.318295 0.636590 Ni\n0.750001 0.458011 0.916024 Ge\n0.250000 0.541988 0.083976 Ge\n0.750001 0.750099 0.500200 Ge\n0.250000 0.249900 0.499800 Ge\n",
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}
]
}