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{
"id": "jvasp-110109",
"created_at": "2022-09-04T14:38:19.354633Z",
"updated_at": "2022-09-04T14:38:19.354656Z",
"structure_string": "Li2 Zn1 Pb1\n1.0\n4.093628 0.000000 2.363457\n1.364543 3.859510 2.363457\n0.000000 -0.000000 4.726915\nLi Zn Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "K2 Li1 Bi1 Cl6\n1.0\n6.356944 -0.000000 3.670183\n2.118981 5.993384 3.670183\n-0.000000 -0.000000 7.340366\nK Li Bi Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.740670 0.259330 0.259330 Cl\n0.259330 0.259330 0.740670 Cl\n0.259330 0.740670 0.740670 Cl\n0.259330 0.740670 0.259330 Cl\n0.740670 0.259330 0.740670 Cl\n0.740670 0.740670 0.259330 Cl\n",
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{
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"structure_string": "K2 Li1 Dy1 Cl6\n1.0\n6.253708 0.000000 3.610580\n2.084569 5.896052 3.610580\n0.000000 0.000000 7.221159\nK Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.744650 0.255350 0.255350 Cl\n0.255351 0.255350 0.744650 Cl\n0.255351 0.744649 0.744650 Cl\n0.255351 0.744649 0.255351 Cl\n0.744650 0.255350 0.744649 Cl\n0.744650 0.744649 0.255351 Cl\n",
"nsites": 10,
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"density_atomic": 0.037557284851353234,
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"formula_full": "K2 Li1 Dy1 Cl6",
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{
"id": "jvasp-109233",
"created_at": "2022-09-04T14:38:19.863862Z",
"updated_at": "2022-09-04T14:38:19.863882Z",
"structure_string": "K2 Na1 Ti1 F6\n1.0\n5.132347 -0.000000 2.963162\n1.710782 4.838823 2.963162\n-0.000000 -0.000000 5.926324\nK Na Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.749999 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Ti\n0.236019 0.236019 0.763981 F\n0.236019 0.763981 0.763981 F\n0.763981 0.763981 0.236018 F\n0.236019 0.763981 0.236019 F\n0.763982 0.236019 0.763980 F\n0.763982 0.236019 0.236018 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.9678094218175013,
"density_atomic": 0.0679452124549008,
"volume": 147.17740424518627,
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"formula_full": "K2 Na1 Ti1 F6",
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"spacegroup": 225
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{
"id": "jvasp-12538",
"created_at": "2022-09-04T14:38:09.017438Z",
"updated_at": "2022-09-04T14:38:09.017465Z",
"structure_string": "In2 Pb4 I10\n1.0\n7.969657 -0.000000 -4.041905\n-2.049899 7.701516 -4.041905\n-0.014835 -0.019301 9.848817\nIn Pb I\n2 4 10\ndirect\n0.250000 0.250000 0.500000 In\n0.750000 0.750000 0.500001 In\n0.160185 0.660185 0.000001 Pb\n0.839815 0.339815 0.000001 Pb\n0.660185 0.839815 0.000001 Pb\n0.339815 0.160185 0.000000 Pb\n0.797894 0.297894 0.284996 I\n0.202106 0.702107 0.715006 I\n0.487102 0.987102 0.284996 I\n0.512898 0.012899 0.715005 I\n0.000000 0.000000 0.000000 I\n0.500000 0.500000 0.000001 I\n0.702106 0.512899 0.715006 I\n0.297893 0.487102 0.284996 I\n0.012898 0.202107 0.715005 I\n0.987102 0.797894 0.284996 I\n",
"nsites": 16,
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"volume": 603.2615827779272,
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{
"id": "jvasp-109895",
"created_at": "2022-09-04T14:38:19.328651Z",
"updated_at": "2022-09-04T14:38:19.328687Z",
"structure_string": "K1 Rb2 Tm1 Cl6\n1.0\n6.715279 -0.000000 3.877068\n2.238426 6.331225 3.877068\n-0.000000 -0.000000 7.754136\nK Rb Tm Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.764723 0.235278 0.235278 Cl\n0.235278 0.235278 0.764723 Cl\n0.235278 0.764723 0.764723 Cl\n0.235278 0.764723 0.235278 Cl\n0.764723 0.235278 0.764723 Cl\n0.764723 0.764723 0.235278 Cl\n",
"nsites": 10,
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"volume": 329.67439865980435,
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"formula_full": "K1 Rb2 Tm1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-109482",
"created_at": "2022-09-04T14:38:19.865537Z",
"updated_at": "2022-09-04T14:38:19.865562Z",
"structure_string": "Rb2 Ga1 Ag1 Br6\n1.0\n6.576754 -0.000000 3.797091\n2.192251 6.200623 3.797091\n-0.000000 -0.000000 7.594181\nRb Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.759527 0.240473 0.240473 Br\n0.240473 0.240473 0.759527 Br\n0.240473 0.759527 0.759527 Br\n0.240473 0.759527 0.240473 Br\n0.759527 0.240473 0.759527 Br\n0.759527 0.759527 0.240473 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.03229030383908999,
"volume": 309.6904894370861,
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"formula_full": "Rb2 Ga1 Ag1 Br6",
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},
{
"id": "jvasp-20486",
"created_at": "2022-09-04T14:38:16.479494Z",
"updated_at": "2022-09-04T14:38:16.479533Z",
"structure_string": "Ca1 Cu5\n1.0\n2.551505 -4.419336 -0.000000\n2.551505 4.419336 0.000000\n0.000000 0.000000 4.067147\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.000000 Cu\n0.666666 0.333332 0.000000 Cu\n0.500000 -0.000001 0.500000 Cu\n0.499999 0.499999 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n",
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},
{
"id": "jvasp-41080",
"created_at": "2022-09-04T14:38:19.870985Z",
"updated_at": "2022-09-04T14:38:19.870995Z",
"structure_string": "Li1 Yb2 Ga1\n1.0\n-0.000000 3.654778 3.654778\n3.654778 -0.000000 3.654778\n3.654778 3.654778 0.000000\nYb Li Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500001 0.500001 0.500001 Yb\n0.749999 0.749999 0.749999 Li\n0.250000 0.250000 0.250000 Ga\n",
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},
{
"id": "jvasp-109732",
"created_at": "2022-09-04T14:38:09.907226Z",
"updated_at": "2022-09-04T14:38:09.907246Z",
"structure_string": "K2 Na1 Cl3\n1.0\n4.249106 -0.000000 0.000000\n-2.124552 3.679835 0.000000\n-0.000000 -0.000000 10.567180\nK Na Cl\n2 1 3\ndirect\n0.333334 0.666666 0.678142 K\n0.666667 0.333333 0.321858 K\n0.000000 0.000000 0.000000 Na\n0.333334 0.666666 0.143239 Cl\n0.666667 0.333333 0.856761 Cl\n0.000000 0.000000 0.500000 Cl\n",
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},
{
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"created_at": "2022-09-04T14:38:19.889854Z",
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"structure_string": "In3 Ag1\n1.0\n4.120004 -0.192887 -3.763875\n-0.929734 4.018362 -3.763875\n0.160859 0.192887 5.578110\nIn Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 In\n0.250001 0.750000 0.500001 In\n0.500000 0.499999 0.000000 In\n0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-108639",
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"updated_at": "2022-09-04T14:38:19.297989Z",
"structure_string": "Ho1 Mg5\n1.0\n5.352928 -0.561869 1.649601\n4.000436 3.600839 1.649601\n-0.054541 -0.017721 6.602250\nHo Mg\n1 5\ndirect\n0.500001 0.500000 0.500000 Ho\n0.164097 0.164097 0.676464 Mg\n0.823978 0.823978 0.836841 Mg\n0.500001 0.500000 -0.000000 Mg\n0.176023 0.176023 0.163158 Mg\n0.835904 0.835903 0.323535 Mg\n",
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}