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{
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{
"id": "jvasp-65633",
"created_at": "2022-09-04T14:35:41.078384Z",
"updated_at": "2022-09-04T14:35:41.078403Z",
"structure_string": "Ba2 Bi1 Cl1\n1.0\n0.000000 4.178392 4.178392\n4.178392 0.000000 4.178392\n4.178392 4.178392 -0.000000\nBa Bi Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Cl\n",
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{
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"structure_string": "Mg7 Al1\n1.0\n6.289439 0.000000 0.000000\n-3.144720 5.446814 0.000000\n0.000000 -0.000000 5.123206\nMg Al\n7 1\ndirect\n0.165770 0.832884 0.250000 Mg\n0.667115 0.334229 0.250000 Mg\n0.667115 0.832884 0.250000 Mg\n0.331429 0.168571 0.750001 Mg\n0.331429 0.662859 0.750001 Mg\n0.837141 0.168571 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Al\n",
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{
"id": "jvasp-64655",
"created_at": "2022-09-04T14:35:41.499324Z",
"updated_at": "2022-09-04T14:35:41.499350Z",
"structure_string": "Ba4 Cu1 Hg1\n1.0\n-0.000000 5.005448 5.005448\n5.005448 0.000000 5.005448\n5.005448 5.005448 0.000000\nBa Cu Hg\n4 1 1\ndirect\n0.124920 0.625027 0.625027 Ba\n0.625027 0.625027 0.625027 Ba\n0.625027 0.124920 0.625027 Ba\n0.625027 0.625027 0.124920 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Hg\n",
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"volume": 250.81809074452102,
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},
{
"id": "jvasp-65263",
"created_at": "2022-09-04T14:35:45.089717Z",
"updated_at": "2022-09-04T14:35:45.089741Z",
"structure_string": "Sr1 Be1 Cu4\n1.0\n-0.000000 3.609037 3.609037\n3.609037 -0.000000 3.609037\n3.609037 3.609037 0.000000\nSr Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Be\n0.118334 0.627223 0.627223 Cu\n0.627223 0.627223 0.627223 Cu\n0.627223 0.118334 0.627223 Cu\n0.627223 0.627223 0.118334 Cu\n",
"nsites": 6,
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"elements": [
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"Be",
"Cu"
],
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"density": 6.196189851255876,
"density_atomic": 0.06381859683914133,
"volume": 94.01648261122642,
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"formula_full": "Sr1 Be1 Cu4",
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"spacegroup": 216
},
{
"id": "jvasp-86741",
"created_at": "2022-09-04T14:35:46.499932Z",
"updated_at": "2022-09-04T14:35:46.499950Z",
"structure_string": "Rb2 Au2 I6\n1.0\n7.024643 -0.057577 3.261862\n2.600762 6.525716 3.261862\n-0.127262 -0.085518 8.710718\nRb Au I\n2 2 6\ndirect\n0.276687 0.276688 0.221355 Rb\n0.723312 0.723312 0.778645 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.723793 0.723794 0.356819 I\n0.199348 0.721294 0.813808 I\n0.800651 0.278705 0.186192 I\n0.278705 0.800652 0.186191 I\n0.721294 0.199348 0.813809 I\n0.276206 0.276206 0.643181 I\n",
"nsites": 10,
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"elements": [
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"density": 5.443615733935413,
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"volume": 404.57771002966547,
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"spacegroup": 12
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{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
"updated_at": "2022-09-04T14:35:49.973068Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
"nsites": 8,
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"density_atomic": 0.07549968356606085,
"volume": 105.96070900085489,
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"formula_full": "Cr1 Cd1 F6",
"formula_reduced": "CrCdF6",
"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-92194",
"created_at": "2022-09-04T14:35:44.174341Z",
"updated_at": "2022-09-04T14:35:44.174369Z",
"structure_string": "Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.8792449636505295,
"density_atomic": 0.05193637495204996,
"volume": 154.03462423755926,
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"formula_full": "Mg6 Zn1 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-97379",
"created_at": "2022-09-04T14:35:45.648813Z",
"updated_at": "2022-09-04T14:35:45.648832Z",
"structure_string": "K4 Ga4 Cl16\n1.0\n7.280057 0.197054 0.000000\n-0.285398 9.551631 0.000000\n0.000000 0.000000 9.693759\nK Ga Cl\n4 4 16\ndirect\n0.319417 0.250676 0.750778 K\n0.180583 0.249324 0.250778 K\n0.680583 0.749323 0.249222 K\n0.819418 0.750676 0.749222 K\n0.749976 0.183406 0.000791 Ga\n0.250024 0.816593 0.999209 Ga\n0.249976 0.683406 0.499209 Ga\n0.750025 0.316593 0.500791 Ga\n0.833027 0.053593 0.178505 Cl\n0.666973 0.446406 0.678505 Cl\n0.166973 0.946406 0.821495 Cl\n0.333027 0.553593 0.321495 Cl\n0.333921 0.946286 0.176991 Cl\n0.989019 0.181623 0.545315 Cl\n0.510981 0.318376 0.045315 Cl\n0.009748 0.681849 0.043595 Cl\n0.490251 0.818150 0.543595 Cl\n-0.009749 0.318151 -0.043595 Cl\n0.509749 0.181849 0.456405 Cl\n0.833921 0.446286 0.323009 Cl\n0.666079 0.053714 0.823009 Cl\n0.166079 0.553714 0.676991 Cl\n0.489019 0.681623 0.954685 Cl\n0.010981 0.818376 0.454685 Cl\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cl-Ga-K",
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"density_atomic": 0.035575876256239695,
"volume": 674.614444550487,
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"formula_full": "K4 Ga4 Cl16",
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"formula_anonymous": "ABC4",
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"spacegroup": 52
},
{
"id": "jvasp-94219",
"created_at": "2022-09-04T14:35:43.288464Z",
"updated_at": "2022-09-04T14:35:43.288491Z",
"structure_string": "K1 Mg6 Cu1\n1.0\n7.730006 -0.850949 0.000000\n-4.601946 6.268906 0.000000\n0.000000 0.000000 4.677923\nK Mg Cu\n1 6 1\ndirect\n0.286878 0.213122 0.750000 K\n0.203342 0.806602 0.250000 Mg\n0.693399 0.296658 0.250000 Mg\n0.692311 0.807689 0.250000 Mg\n0.326834 0.669457 0.750000 Mg\n0.830544 0.173166 0.750000 Mg\n0.864855 0.635146 0.750000 Mg\n0.101839 0.398161 0.250000 Cu\n",
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"density": 1.9801649048572487,
"density_atomic": 0.03839377123246413,
"volume": 208.3671320423856,
"volume_molar": 15.685202486459406,
"formula_full": "K1 Mg6 Cu1",
"formula_reduced": "KMg6Cu",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-94735",
"created_at": "2022-09-04T14:35:48.029015Z",
"updated_at": "2022-09-04T14:35:48.029040Z",
"structure_string": "Ca1 Mg6 Ti1\n1.0\n6.240971 -1.670677 0.000000\n-4.567333 7.910852 0.000000\n0.000000 0.000000 4.484952\nCa Mg Ti\n1 6 1\ndirect\n0.250044 0.375021 0.250000 Ca\n0.749969 0.374961 0.250000 Mg\n0.749969 0.875008 0.250000 Mg\n0.249968 0.107013 0.750000 Mg\n0.249968 0.642955 0.750000 Mg\n0.714084 0.107042 0.750000 Mg\n0.785994 0.642996 0.750000 Mg\n0.250004 0.875001 0.250000 Ti\n",
"nsites": 8,
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"density": 2.073614274849876,
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"volume": 187.20575229572003,
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},
{
"id": "jvasp-105684",
"created_at": "2022-09-04T14:35:43.910691Z",
"updated_at": "2022-09-04T14:35:43.910714Z",
"structure_string": "Rb2 Na1 Sb1 I6\n1.0\n7.415985 0.000000 4.281621\n2.471995 6.991859 4.281621\n0.000000 0.000000 8.563243\nRb Na Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751951 0.248049 0.248049 I\n0.248049 0.248049 0.751950 I\n0.248049 0.751951 0.751951 I\n0.248049 0.751951 0.248049 I\n0.751951 0.248049 0.751950 I\n0.751951 0.751951 0.248049 I\n",
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{
"id": "jvasp-65113",
"created_at": "2022-09-04T14:36:02.022627Z",
"updated_at": "2022-09-04T14:36:02.022652Z",
"structure_string": "Be1 Cd4 Rh1\n1.0\n0.000000 3.863659 3.863659\n3.863659 0.000000 3.863659\n3.863659 3.863659 -0.000000\nBe Cd Rh\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125431 0.624856 0.624856 Cd\n0.624856 0.624856 0.624856 Cd\n0.624856 0.125431 0.624856 Cd\n0.624856 0.624856 0.125431 Cd\n0.250000 0.250000 0.250000 Rh\n",
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}
]
}