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"results": [
{
"id": "jvasp-107892",
"created_at": "2022-09-04T14:38:17.584693Z",
"updated_at": "2022-09-04T14:38:17.584706Z",
"structure_string": "Ac1 Zn2 Cd1\n1.0\n4.460569 -0.000000 2.575311\n1.486856 4.205465 2.575311\n-0.000000 -0.000000 5.150621\nAc Zn Cd\n1 2 1\ndirect\n0.500001 0.499999 0.500000 Ac\n0.250000 0.250000 0.250000 Zn\n0.750001 0.749999 0.750000 Zn\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-109001",
"created_at": "2022-09-04T14:38:17.591177Z",
"updated_at": "2022-09-04T14:38:17.591196Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n5.911305 -0.000000 3.412894\n1.970435 5.573232 3.412894\n-0.000000 -0.000000 6.825787\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Hg\n0.207857 0.207856 0.792144 F\n0.207857 0.792143 0.792143 F\n0.792145 0.792143 0.207855 F\n0.207857 0.792143 0.207856 F\n0.792145 0.207856 0.792143 F\n0.792145 0.207856 0.207855 F\n",
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"formula_full": "K2 Nb1 Hg1 F6",
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{
"id": "jvasp-23038",
"created_at": "2022-09-04T14:38:29.590786Z",
"updated_at": "2022-09-04T14:38:29.590795Z",
"structure_string": "K8 Cd12 S16\n1.0\n6.702837 -0.000000 0.000000\n-0.000000 10.233200 0.000000\n0.000000 0.000000 13.794318\nK Cd S\n8 12 16\ndirect\n0.016629 0.250000 0.532083 K\n0.516629 0.750000 0.967918 K\n0.983372 0.750000 0.467917 K\n0.483372 0.250000 0.032083 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.784274 0.250000 0.797312 Cd\n0.284274 0.750000 0.702689 Cd\n0.715726 0.250000 0.297312 Cd\n0.840537 0.590941 0.750602 Cd\n0.340537 0.409059 0.749399 Cd\n0.215726 0.750000 0.202688 Cd\n0.659464 0.909059 0.250601 Cd\n0.159464 0.409059 0.249399 Cd\n0.659464 0.590941 0.250601 Cd\n0.840537 0.909059 0.750602 Cd\n0.340537 0.090941 0.749399 Cd\n0.159464 0.090941 0.249399 Cd\n0.636160 0.750000 0.640840 S\n0.863841 0.750000 0.140840 S\n0.575045 0.250000 0.641626 S\n0.075045 0.750000 0.858374 S\n0.424955 0.750000 0.358374 S\n0.924956 0.250000 0.141626 S\n0.120130 0.530723 0.632073 S\n0.379870 0.969277 0.132072 S\n0.879870 0.030723 0.367928 S\n0.879870 0.469277 0.367928 S\n0.379870 0.530723 0.132072 S\n0.120130 0.969277 0.632073 S\n0.620131 0.030723 0.867928 S\n0.136160 0.250000 0.859160 S\n0.620131 0.469277 0.867928 S\n0.363841 0.250000 0.359160 S\n",
"nsites": 36,
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"elements": [
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"Cd",
"S"
],
"chemical_system": "Cd-K-S",
"density": 3.816715252186041,
"density_atomic": 0.038048027491608565,
"volume": 946.1725711783547,
"volume_molar": 15.827734463575476,
"formula_full": "K8 Cd12 S16",
"formula_reduced": "K2Cd3S4",
"formula_anonymous": "A2B3C4",
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"spacegroup": 62
},
{
"id": "jvasp-24947",
"created_at": "2022-09-04T14:38:30.240029Z",
"updated_at": "2022-09-04T14:38:30.240049Z",
"structure_string": "Rb2 Na1 Mn1 F6\n1.0\n5.152106 0.000000 -2.878690\n-1.608441 4.894601 -2.878690\n-0.005273 -0.007283 6.040372\nRb Na Mn F\n2 1 1 6\ndirect\n0.750001 0.250000 0.500000 Rb\n0.250001 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mn\n0.758764 0.758763 0.517526 F\n0.241238 0.241237 0.482475 F\n0.773821 0.773821 0.000000 F\n0.226180 0.773821 0.000000 F\n0.226180 0.226179 0.000000 F\n0.773821 0.226179 0.000000 F\n",
"nsites": 10,
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"elements": [
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"Mn",
"F"
],
"chemical_system": "F-Mn-Na-Rb",
"density": 3.961242468065799,
"density_atomic": 0.0657431657994065,
"volume": 152.10706509801622,
"volume_molar": 9.160101566107368,
"formula_full": "Rb2 Na1 Mn1 F6",
"formula_reduced": "Rb2NaMnF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-109476",
"created_at": "2022-09-04T14:38:19.277478Z",
"updated_at": "2022-09-04T14:38:19.277506Z",
"structure_string": "Rb2 Y1 Au1 I6\n1.0\n7.330252 -0.000000 4.232123\n2.443417 6.911028 4.232123\n-0.000000 -0.000000 8.464246\nRb Y Au I\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 Y\n0.500000 0.500000 0.500000 Au\n0.749094 0.250906 0.250905 I\n0.250906 0.250906 0.749095 I\n0.250906 0.749095 0.749094 I\n0.250906 0.749095 0.250905 I\n0.749094 0.250906 0.749094 I\n0.749094 0.749095 0.250905 I\n",
"nsites": 10,
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"elements": [
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"Au",
"I"
],
"chemical_system": "Au-I-Rb-Y",
"density": 4.7176995398605115,
"density_atomic": 0.023321160906518246,
"volume": 428.79512045238744,
"volume_molar": 25.82264572565432,
"formula_full": "Rb2 Y1 Au1 I6",
"formula_reduced": "Rb2YAuI6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-108851",
"created_at": "2022-09-04T14:38:11.916877Z",
"updated_at": "2022-09-04T14:38:11.916904Z",
"structure_string": "K2 Sm1 Cu1 Cl6\n1.0\n6.328170 -0.000000 3.653571\n2.109390 5.966256 3.653571\n-0.000000 -0.000000 7.307142\nK Sm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Cu\n0.741840 0.258160 0.258160 Cl\n0.258160 0.258160 0.741839 Cl\n0.258160 0.741840 0.741839 Cl\n0.258160 0.741840 0.258160 Cl\n0.741840 0.258160 0.741839 Cl\n0.741840 0.741840 0.258160 Cl\n",
"nsites": 10,
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"elements": [
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"Cu",
"Cl"
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"volume": 275.8846699441935,
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"formula_full": "K2 Sm1 Cu1 Cl6",
"formula_reduced": "K2SmCuCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-36949",
"created_at": "2022-09-04T14:38:11.016714Z",
"updated_at": "2022-09-04T14:38:11.016729Z",
"structure_string": "Zn2 Ag2 F6\n1.0\n-4.926651 -0.000000 2.384262\n-3.040260 4.551200 0.000000\n-4.945407 -0.012528 -3.936644\nZn Ag F\n2 2 6\ndirect\n0.658895 0.658893 0.023317 Zn\n0.341108 0.341105 0.976681 Zn\n0.858398 0.858397 0.424809 Ag\n0.141605 0.141602 0.575189 Ag\n0.457942 0.692958 0.789567 F\n0.059534 0.457942 0.789566 F\n0.692958 0.059533 0.789567 F\n0.542058 0.307042 0.210434 F\n0.307041 0.940467 0.210434 F\n0.940465 0.542058 0.210435 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-F-Zn",
"density": 5.384717813803599,
"density_atomic": 0.07041123314586405,
"volume": 142.0227931427359,
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"formula_full": "Zn2 Ag2 F6",
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"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-109838",
"created_at": "2022-09-04T14:38:17.611569Z",
"updated_at": "2022-09-04T14:38:17.611590Z",
"structure_string": "K2 Rb1 Ga1 Cl6\n1.0\n6.570697 -0.000000 3.793594\n2.190232 6.194912 3.793594\n-0.000000 -0.000000 7.587187\nK Rb Ga 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 Rb\n0.000000 0.000000 0.000000 Ga\n0.778646 0.221354 0.221354 Cl\n0.221355 0.221354 0.778646 Cl\n0.221355 0.778645 0.778645 Cl\n0.221355 0.778645 0.221354 Cl\n0.778646 0.221354 0.778645 Cl\n0.778646 0.778645 0.221354 Cl\n",
"nsites": 10,
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"elements": [
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"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-K-Rb",
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"density_atomic": 0.03237968575768789,
"volume": 308.8356099202015,
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"formula_full": "K2 Rb1 Ga1 Cl6",
"formula_reduced": "K2RbGaCl6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-108639",
"created_at": "2022-09-04T14:38:19.297959Z",
"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",
"nsites": 6,
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},
{
"id": "jvasp-108856",
"created_at": "2022-09-04T14:38:20.058512Z",
"updated_at": "2022-09-04T14:38:20.058532Z",
"structure_string": "Rb2 Ce1 Au1 Cl6\n1.0\n6.639957 -0.000000 3.833581\n2.213319 6.260212 3.833581\n-0.000000 -0.000000 7.667162\nRb Ce Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Au\n0.749338 0.250663 0.250662 Cl\n0.250663 0.250663 0.749337 Cl\n0.250663 0.749337 0.749337 Cl\n0.250663 0.749337 0.250663 Cl\n0.749338 0.250663 0.749337 Cl\n0.749338 0.749337 0.250662 Cl\n",
"nsites": 10,
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"formula_full": "Rb2 Ce1 Au1 Cl6",
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},
{
"id": "jvasp-108057",
"created_at": "2022-09-04T14:38:19.978101Z",
"updated_at": "2022-09-04T14:38:19.978132Z",
"structure_string": "Tl5 Br1 Cl4\n1.0\n13.925351 0.006386 0.000000\n-12.848950 5.368420 0.000000\n-0.000000 -0.000000 3.873117\nTl Br Cl\n5 1 4\ndirect\n0.799788 0.200213 -0.000000 Tl\n0.396405 0.603595 -0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.603595 0.396406 -0.000000 Tl\n0.200213 0.799787 -0.000000 Tl\n0.500000 0.500000 0.500000 Br\n0.101475 0.898525 0.500000 Cl\n0.701349 0.298652 0.500000 Cl\n0.298652 0.701348 0.500000 Cl\n0.898526 0.101475 0.500000 Cl\n",
"nsites": 10,
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"formula_full": "Tl5 Br1 Cl4",
"formula_reduced": "Tl5BrCl4",
"formula_anonymous": "AB4C5",
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"spacegroup": 65
},
{
"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,
"volume_molar": 19.853456336976972,
"formula_full": "K1 Rb2 Tm1 Cl6",
"formula_reduced": "KRb2TmCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
]
}