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{
"id": "jvasp-52234",
"created_at": "2022-09-04T14:37:00.624518Z",
"updated_at": "2022-09-04T14:37:00.624545Z",
"structure_string": "Li1 Cu1 F2\n1.0\n2.901284 -0.000000 0.000000\n1.450642 2.512586 0.000000\n2.901284 1.675057 5.850754\nLi Cu F\n1 1 2\ndirect\n-0.000001 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Cu\n0.789504 0.789508 0.315742 F\n0.210492 0.210495 0.684257 F\n",
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{
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"structure_string": "Zn4 Hg4 O2 F12\n1.0\n6.465389 0.000000 3.732794\n2.155129 6.095627 3.732794\n0.000000 0.000000 7.465589\nZn Hg O F\n4 4 2 12\ndirect\n0.000000 0.000000 0.000000 Zn\n-0.000000 -0.000000 0.500000 Zn\n0.500000 -0.000000 -0.000000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.499999 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 -0.000001 Hg\n0.625000 0.625000 0.624999 O\n0.375000 0.375000 0.375000 O\n0.674518 0.674518 0.075481 F\n0.325482 0.924518 0.325481 F\n0.674518 0.075482 0.075482 F\n0.674518 0.075482 0.674518 F\n0.075482 0.674518 0.075481 F\n0.325482 0.325482 0.924518 F\n0.924518 0.924518 0.325481 F\n0.924518 0.325482 0.924517 F\n0.075482 0.674518 0.674518 F\n0.325482 0.924518 0.924517 F\n0.924518 0.325482 0.325481 F\n0.075482 0.075482 0.674518 F\n",
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"formula_full": "Zn4 Hg4 O2 F12",
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{
"id": "jvasp-22535",
"created_at": "2022-09-04T14:37:04.685097Z",
"updated_at": "2022-09-04T14:37:04.685119Z",
"structure_string": "Rb2 Li2 Cl4\n1.0\n3.942741 0.000000 -1.128604\n0.000000 7.120775 0.000000\n0.011101 0.000000 7.490003\nRb Li Cl\n2 2 4\ndirect\n0.369993 0.250000 0.739987 Rb\n0.630006 0.749999 0.260013 Rb\n0.895762 0.749999 0.791524 Li\n0.104238 0.250000 0.208476 Li\n0.000000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.690326 0.250000 0.380651 Cl\n0.309674 0.749999 0.619349 Cl\n",
"nsites": 8,
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"volume": 210.37383066941345,
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"formula_full": "Rb2 Li2 Cl4",
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"spacegroup": 63
},
{
"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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"volume": 257.20007845423504,
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"formula_full": "K4 Cu2 Sb2",
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"spacegroup": 63
},
{
"id": "jvasp-106233",
"created_at": "2022-09-04T14:37:00.558892Z",
"updated_at": "2022-09-04T14:37:00.558912Z",
"structure_string": "Ca1 Y1 Zn2\n1.0\n4.398712 0.000000 2.539597\n1.466237 4.147145 2.539597\n0.000000 0.000000 5.079195\nCa Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500001 0.500001 Y\n0.750000 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Zn\n",
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],
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{
"id": "jvasp-107186",
"created_at": "2022-09-04T14:36:55.667224Z",
"updated_at": "2022-09-04T14:36:55.667238Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n4.002701 -0.000000 2.310960\n1.334234 3.773782 2.310960\n-0.000000 -0.000000 4.621921\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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],
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{
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"created_at": "2022-09-04T14:36:39.981650Z",
"updated_at": "2022-09-04T14:36:39.981668Z",
"structure_string": "Ba1 Sr2 Ca1\n1.0\n5.685485 -0.000000 3.282516\n1.895162 5.360327 3.282516\n-0.000000 -0.000000 6.565033\nBa Sr Ca\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ca\n",
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},
{
"id": "jvasp-106418",
"created_at": "2022-09-04T14:36:55.683215Z",
"updated_at": "2022-09-04T14:36:55.683238Z",
"structure_string": "Na2 Cu1 As1 F6\n1.0\n5.121524 -0.000000 2.956913\n1.707175 4.828619 2.956913\n-0.000000 -0.000000 5.913826\nNa Cu As F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.752839 0.247160 0.247160 F\n0.247160 0.247160 0.752840 F\n0.247159 0.752840 0.752840 F\n0.247159 0.752840 0.247160 F\n0.752839 0.247160 0.752840 F\n0.752838 0.752840 0.247160 F\n",
"nsites": 10,
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"density": 3.3885342627782555,
"density_atomic": 0.0683768841319761,
"volume": 146.24825519540678,
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"formula_full": "Na2 Cu1 As1 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-107142",
"created_at": "2022-09-04T14:36:55.629871Z",
"updated_at": "2022-09-04T14:36:55.629897Z",
"structure_string": "Rb2 Li1 Bi1 I6\n1.0\n7.315980 -0.000000 4.223883\n2.438660 6.897572 4.223883\n-0.000000 -0.000000 8.447766\nRb Li Bi 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 Li\n0.000000 0.000000 0.000000 Bi\n0.743722 0.256278 0.256278 I\n0.256279 0.256278 0.743722 I\n0.256279 0.743721 0.743722 I\n0.256279 0.743721 0.256278 I\n0.743722 0.256278 0.743722 I\n0.743722 0.743721 0.256278 I\n",
"nsites": 10,
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"volume": 426.29538164241154,
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"spacegroup": 225
},
{
"id": "jvasp-16010",
"created_at": "2022-09-04T14:36:55.626234Z",
"updated_at": "2022-09-04T14:36:55.626244Z",
"structure_string": "Ba2 Cd1\n1.0\n4.111760 -0.000000 -1.112516\n-0.301013 4.100727 -1.112516\n-0.022473 -0.024183 8.071545\nBa Cd\n2 1\ndirect\n0.632597 0.632597 0.265193 Ba\n0.367405 0.367404 0.734806 Ba\n0.000000 0.000000 0.000000 Cd\n",
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},
{
"id": "jvasp-122041",
"created_at": "2022-09-04T14:38:54.916350Z",
"updated_at": "2022-09-04T14:38:54.916371Z",
"structure_string": "Sr10 Pb6 F2\n1.0\n7.832722 -0.020163 -6.296613\n-1.810727 7.620578 -6.296613\n0.015976 0.020163 10.049807\nSr Pb F\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Sr\n0.311699 0.491340 0.500000 Sr\n0.811699 0.311699 0.820360 Sr\n0.491339 0.991340 0.179642 Sr\n0.688301 0.508661 0.500001 Sr\n0.991339 0.811699 0.500001 Sr\n0.188301 0.688302 0.179641 Sr\n0.508661 0.008660 0.820360 Sr\n0.000000 0.000000 0.000000 Sr\n0.008661 0.188301 0.500000 Sr\n0.250000 0.250000 0.000000 Pb\n0.750000 0.750001 0.000001 Pb\n0.871713 0.371713 0.243427 Pb\n0.128287 0.628287 0.756576 Pb\n0.371713 0.128287 0.500000 Pb\n0.628287 0.871713 0.500001 Pb\n0.250000 0.750000 0.500001 F\n0.750000 0.250000 0.500001 F\n",
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{
"id": "jvasp-119208",
"created_at": "2022-09-04T14:38:50.291288Z",
"updated_at": "2022-09-04T14:38:50.291315Z",
"structure_string": "Ba2 Sr2 Pd2 F12\n1.0\n9.033410 -0.013633 0.000000\n-7.019542 5.685834 0.000000\n-0.000000 -0.000000 6.012476\nBa Sr Pd F\n2 2 2 12\ndirect\n0.336290 0.663709 0.500000 Ba\n0.836291 0.163710 -0.000000 Ba\n0.659918 0.340082 0.500000 Sr\n0.159918 0.840081 -0.000000 Sr\n0.004216 0.995782 0.500000 Pd\n0.504217 0.495783 -0.000000 Pd\n0.252637 0.077351 0.334510 F\n0.922649 0.747363 0.665491 F\n0.581308 0.742061 0.162164 F\n0.257939 0.418691 0.837836 F\n0.757939 0.918691 0.662165 F\n0.484682 -0.000359 0.748731 F\n0.000360 0.515318 0.251270 F\n0.752637 0.577351 0.165491 F\n0.984682 0.499641 0.751270 F\n0.500360 0.015318 0.248731 F\n0.081308 0.242061 0.337836 F\n0.422649 0.247363 0.834510 F\n",
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