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{
"id": "jvasp-67614",
"created_at": "2022-09-04T14:36:16.442099Z",
"updated_at": "2022-09-04T14:36:16.442119Z",
"structure_string": "Be1 Zn1 Cu4\n1.0\n-0.000000 3.378382 3.378382\n3.378382 -0.000000 3.378382\n3.378382 3.378382 -0.000000\nBe Zn Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124166 0.625278 0.625278 Cu\n0.625278 0.625278 0.625278 Cu\n0.625278 0.124166 0.625278 Cu\n0.625278 0.625278 0.124166 Cu\n",
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{
"id": "jvasp-99702",
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"updated_at": "2022-09-04T14:36:12.528728Z",
"structure_string": "K1 Au1 Cl3\n1.0\n5.086594 0.000000 0.000000\n-0.000000 5.086594 -0.000000\n0.000000 0.000000 5.086594\nK Au Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.000000 0.500000 0.000000 Cl\n",
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{
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"structure_string": "K6 P2\n1.0\n2.828523 -4.899146 0.000000\n2.828523 4.899146 -0.000000\n-0.000000 0.000000 10.004372\nK P\n6 2\ndirect\n0.333332 0.666667 0.419808 K\n0.666667 0.333332 0.919807 K\n0.666667 0.333332 0.580192 K\n0.333332 0.666667 0.080192 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.666667 0.333332 0.250000 P\n0.333332 0.666667 0.750000 P\n",
"nsites": 8,
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{
"id": "jvasp-93714",
"created_at": "2022-09-04T14:36:34.245155Z",
"updated_at": "2022-09-04T14:36:34.245174Z",
"structure_string": "Lu2 Zn4\n1.0\n-4.393942 0.000000 0.000000\n-2.196971 -3.413898 3.773692\n-2.196971 3.413898 3.773692\nLu Zn\n2 4\ndirect\n0.477221 0.272779 0.772779 Lu\n0.522779 0.727221 0.227220 Lu\n0.833920 0.132843 0.199316 Zn\n0.166080 0.867157 0.800683 Zn\n0.833920 0.699316 0.632842 Zn\n0.166080 0.300684 0.367157 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.970031390766602,
"density_atomic": 0.05299683602088015,
"volume": 113.21430580565354,
"volume_molar": 11.363208093455514,
"formula_full": "Lu2 Zn4",
"formula_reduced": "LuZn2",
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"spacegroup": 74
},
{
"id": "jvasp-65522",
"created_at": "2022-09-04T14:36:17.530585Z",
"updated_at": "2022-09-04T14:36:17.530605Z",
"structure_string": "Ba1 In2 Sb1\n1.0\n4.204863 0.000000 0.000000\n-0.000000 4.204863 0.000000\n-0.000000 -0.000000 7.360415\nBa In Sb\n1 2 1\ndirect\n0.500000 0.500000 0.740498 Ba\n0.000000 0.000000 0.052544 In\n0.500000 0.500000 0.250979 In\n0.000000 0.000000 0.455977 Sb\n",
"nsites": 4,
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"elements": [
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"In",
"Sb"
],
"chemical_system": "Ba-In-Sb",
"density": 6.235996644367669,
"density_atomic": 0.03073647001204989,
"volume": 130.13856172917204,
"volume_molar": 19.592818425925575,
"formula_full": "Ba1 In2 Sb1",
"formula_reduced": "BaIn2Sb",
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},
{
"id": "jvasp-102867",
"created_at": "2022-09-04T14:36:34.164143Z",
"updated_at": "2022-09-04T14:36:34.164169Z",
"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n6.283013 -0.000000 3.627498\n2.094338 5.923681 3.627498\n0.000000 0.000000 7.254998\nTb K Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.744362 0.255637 0.255638 Cl\n0.255637 0.255637 0.744363 Cl\n0.255637 0.744363 0.744363 Cl\n0.255637 0.744363 0.255638 Cl\n0.744362 0.255637 0.744363 Cl\n0.744363 0.744363 0.255638 Cl\n",
"nsites": 10,
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"density_atomic": 0.03703420972404812,
"volume": 270.0206126852091,
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"formula_full": "K2 Tb1 Cu1 Cl6",
"formula_reduced": "K2TbCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-7651",
"created_at": "2022-09-04T14:36:40.054265Z",
"updated_at": "2022-09-04T14:36:40.054286Z",
"structure_string": "K4 Cu2 Sb2\n1.0\n6.236232 0.000000 -0.000000\n0.000000 6.298375 -1.797228\n0.000000 -0.005598 6.549773\nK Cu Sb\n4 2 2\ndirect\n0.250000 0.012920 0.674545 K\n0.750000 0.987081 0.325455 K\n0.750000 0.325455 0.987080 K\n0.250000 0.674545 0.012920 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.246712 0.246712 Sb\n0.750000 0.753288 0.753287 Sb\n",
"nsites": 8,
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"elements": [
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"density": 3.4024590045257694,
"density_atomic": 0.03110418957910031,
"volume": 257.20007845423504,
"volume_molar": 19.361188449180585,
"formula_full": "K4 Cu2 Sb2",
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"spacegroup": 63
},
{
"id": "jvasp-99415",
"created_at": "2022-09-04T14:36:38.819094Z",
"updated_at": "2022-09-04T14:36:38.819109Z",
"structure_string": "Rb2 Tb1 Cu1 Cl6\n1.0\n6.307670 -0.000000 3.641735\n2.102557 5.946928 3.641735\n-0.000000 -0.000000 7.283470\nTb Rb Cu Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Cu\n0.744784 0.255216 0.255215 Cl\n0.255216 0.255216 0.744783 Cl\n0.255217 0.744784 0.744783 Cl\n0.255217 0.744784 0.255215 Cl\n0.744784 0.255216 0.744783 Cl\n0.744784 0.744784 0.255215 Cl\n",
"nsites": 10,
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"elements": [
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"Rb",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb-Tb",
"density": 3.683929228063031,
"density_atomic": 0.03660159570883929,
"volume": 273.2121320487948,
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"formula_full": "Rb2 Tb1 Cu1 Cl6",
"formula_reduced": "Rb2TbCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-69111",
"created_at": "2022-09-04T14:36:12.474186Z",
"updated_at": "2022-09-04T14:36:12.474206Z",
"structure_string": "Ba2 Pb1 Br1\n1.0\n-0.000000 4.240894 4.240894\n4.240894 -0.000000 4.240894\n4.240894 4.240894 -0.000000\nBa Pb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
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"density_atomic": 0.02622151275361825,
"volume": 152.54650018039285,
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"formula_full": "Ba2 Pb1 Br1",
"formula_reduced": "Ba2PbBr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-65205",
"created_at": "2022-09-04T14:36:13.204803Z",
"updated_at": "2022-09-04T14:36:13.204834Z",
"structure_string": "Be1 Hg4 Pt1\n1.0\n0.000000 4.005721 4.005721\n4.005721 -0.000000 4.005721\n4.005721 4.005721 0.000000\nBe Hg Pt\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.125484 0.624838 0.624838 Hg\n0.624838 0.624838 0.624838 Hg\n0.624838 0.125484 0.624838 Hg\n0.624838 0.624838 0.125484 Hg\n0.250000 0.250000 0.250000 Pt\n",
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],
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"density_atomic": 0.04667444505448163,
"volume": 128.55000189067886,
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"formula_full": "Be1 Hg4 Pt1",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-103556",
"created_at": "2022-09-04T14:36:38.838248Z",
"updated_at": "2022-09-04T14:36:38.838276Z",
"structure_string": "Na2 Sc1 Cu1 F6\n1.0\n5.091839 -0.000000 2.939775\n1.697280 4.800632 2.939775\n-0.000000 -0.000000 5.879549\nNa Sc Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Cu\n0.758617 0.241383 0.241382 F\n0.241383 0.241383 0.758617 F\n0.241383 0.758617 0.758616 F\n0.241383 0.758617 0.241382 F\n0.758617 0.241383 0.758616 F\n0.758617 0.758617 0.241382 F\n",
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"volume": 143.719961760014,
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"formula_full": "Na2 Sc1 Cu1 F6",
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{
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"created_at": "2022-09-04T14:36:40.023153Z",
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"structure_string": "Li2 Y2 F8\n1.0\n4.808776 0.214775 -1.905646\n-1.010443 4.659626 -2.019662\n-0.198020 -0.093162 6.519570\nLi Y F\n2 2 8\ndirect\n0.374896 0.124896 0.749792 Li\n0.625106 0.875106 0.250209 Li\n0.124985 0.374985 0.249968 Y\n0.875018 0.625018 0.750033 Y\n0.457479 0.764400 0.588264 F\n0.264428 0.630981 0.088300 F\n0.869217 0.676137 0.411738 F\n0.823874 0.957321 0.088301 F\n0.542523 0.235602 0.411737 F\n0.130786 0.323865 0.588263 F\n0.176128 0.042681 0.911701 F\n0.735574 0.369021 0.911701 F\n",
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