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{
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"results": [
{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
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"formula_full": "Rb8 Al8 B8 O28",
"formula_reduced": "Rb2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
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},
{
"id": "jvasp-25661",
"created_at": "2022-09-04T14:38:16.728756Z",
"updated_at": "2022-09-04T14:38:16.728773Z",
"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
"nsites": 32,
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"S"
],
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"density": 3.801240943498041,
"density_atomic": 0.03463022357515869,
"volume": 924.0483224299645,
"volume_molar": 17.389840833484726,
"formula_full": "Rb8 Ag4 Sb4 S16",
"formula_reduced": "Rb2AgSbS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 14
},
{
"id": "jvasp-59034",
"created_at": "2022-09-04T14:38:17.244682Z",
"updated_at": "2022-09-04T14:38:17.244703Z",
"structure_string": "Rb8 Ag4 Cl12\n1.0\n4.452711 -0.000000 0.000000\n0.000000 9.151371 0.000000\n0.000000 0.000000 17.763187\nRb Ag Cl\n8 4 12\ndirect\n0.250000 0.928555 0.712618 Rb\n0.750000 0.071445 0.287382 Rb\n0.250000 0.428555 0.787382 Rb\n0.750000 0.571445 0.212618 Rb\n0.750000 0.243569 0.541532 Rb\n0.250000 0.756430 0.458469 Rb\n0.750000 0.743569 0.958469 Rb\n0.250000 0.256430 0.041531 Rb\n0.750000 0.125532 0.867021 Ag\n0.250000 0.874468 0.132980 Ag\n0.750000 0.625532 0.632980 Ag\n0.250000 0.374468 0.367021 Ag\n0.250000 0.993660 0.902262 Cl\n0.750000 0.884039 0.573029 Cl\n0.250000 0.115961 0.426971 Cl\n0.750000 0.384039 0.926971 Cl\n0.250000 0.615961 0.073029 Cl\n0.750000 0.692714 0.775588 Cl\n0.250000 0.307286 0.224412 Cl\n0.750000 0.192714 0.724412 Cl\n0.250000 0.807286 0.275588 Cl\n0.250000 0.493660 0.597739 Cl\n0.750000 0.506340 0.402262 Cl\n0.750000 0.006340 0.097738 Cl\n",
"nsites": 24,
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"elements": [
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],
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"volume": 723.82163240971,
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"formula_full": "Rb8 Ag4 Cl12",
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"spacegroup": 62
},
{
"id": "jvasp-25384",
"created_at": "2022-09-04T14:37:51.097897Z",
"updated_at": "2022-09-04T14:37:51.097910Z",
"structure_string": "Rb8\n1.0\n8.840394 0.000000 -0.000000\n-0.000000 8.840394 -0.000000\n0.000000 -0.000000 8.840394\nRb\n8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.250001 0.000000 Rb\n0.500000 0.750001 0.000000 Rb\n0.000000 0.500000 0.250001 Rb\n0.250001 0.000000 0.500000 Rb\n0.750001 0.000000 0.500000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.500000 0.750001 Rb\n",
"nsites": 8,
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"density_atomic": 0.011579108503329542,
"volume": 690.8994762161199,
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"formula_full": "Rb8",
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"spacegroup": 223
},
{
"id": "jvasp-25139",
"created_at": "2022-09-04T14:38:16.293166Z",
"updated_at": "2022-09-04T14:38:16.293184Z",
"structure_string": "Rb8\n1.0\n8.534892 0.698300 -0.000000\n-3.490505 7.819744 -0.000000\n0.000000 -0.000000 9.899742\nRb\n8\ndirect\n0.249982 0.750017 0.000000 Rb\n0.250017 0.749983 0.500000 Rb\n0.750017 0.249983 0.000000 Rb\n0.749982 0.250017 0.500000 Rb\n0.250625 0.250625 0.249442 Rb\n0.249375 0.249375 0.749442 Rb\n0.750624 0.750624 0.250558 Rb\n0.749374 0.749375 0.750558 Rb\n",
"nsites": 8,
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"formula_full": "Rb8",
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"spacegroup": 225
},
{
"id": "jvasp-25303",
"created_at": "2022-09-04T14:38:01.903468Z",
"updated_at": "2022-09-04T14:38:01.903490Z",
"structure_string": "Rb8\n1.0\n7.405024 -0.193484 2.542855\n2.252515 10.476754 6.277290\n0.351871 4.877755 11.420490\nRb\n8\ndirect\n0.559043 0.686336 0.188452 Rb\n0.933913 0.811308 0.313525 Rb\n0.683852 0.061028 0.563724 Rb\n0.433957 0.311611 0.813166 Rb\n0.308724 0.936904 0.437984 Rb\n0.809147 0.436074 0.938656 Rb\n0.058818 0.186646 0.688130 Rb\n0.184058 0.561858 0.062954 Rb\n",
"nsites": 8,
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"spacegroup": 229
},
{
"id": "jvasp-109496",
"created_at": "2022-09-04T14:38:17.175558Z",
"updated_at": "2022-09-04T14:38:17.175583Z",
"structure_string": "Rb8\n1.0\n11.743670 -0.107381 3.591959\n9.235135 7.255178 3.591959\n0.220396 0.075092 7.801862\nRb\n8\ndirect\n0.187556 0.687452 0.562538 Rb\n0.312549 0.812444 0.937462 Rb\n0.562346 0.062628 0.687424 Rb\n0.812444 0.312549 0.437462 Rb\n0.437654 0.937372 0.312575 Rb\n0.937372 0.437654 0.812575 Rb\n0.687451 0.187556 0.062538 Rb\n0.062628 0.562346 0.187425 Rb\n",
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},
{
"id": "jvasp-26948",
"created_at": "2022-09-04T14:38:36.729423Z",
"updated_at": "2022-09-04T14:38:36.729443Z",
"structure_string": "Rb7 Au5 O2\n1.0\n5.448295 0.000060 -1.623043\n-1.303863 8.149771 -4.376550\n-0.020873 -0.049407 9.884707\nRb Au O\n7 5 2\ndirect\n0.000000 0.500000 -0.000000 Rb\n0.499996 0.788627 -0.000002 Rb\n0.500004 0.211373 0.000002 Rb\n0.168092 0.391540 0.336189 Rb\n0.831908 0.608460 0.663811 Rb\n0.831913 0.055355 0.663816 Rb\n0.168087 0.944645 0.336184 Rb\n0.000000 0.000000 0.000000 Au\n0.350959 0.350941 0.701888 Au\n0.649041 0.649059 0.298112 Au\n0.688045 0.188050 0.376106 Au\n0.311955 0.811950 0.623895 Au\n0.000011 0.216538 0.000005 O\n-0.000010 0.783462 -0.000005 O\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Rb7 Au5 O2",
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},
{
"id": "jvasp-21525",
"created_at": "2022-09-04T14:35:53.982430Z",
"updated_at": "2022-09-04T14:35:53.982450Z",
"structure_string": "Rb6 Zn6 F18\n1.0\n2.971187 -5.146247 -0.000000\n2.971187 5.146247 0.000000\n0.000000 -0.000000 14.572833\nRb Zn F\n6 6 18\ndirect\n0.333333 0.666668 0.595900 Rb\n0.666668 0.333333 0.095900 Rb\n0.666668 0.333333 0.404100 Rb\n0.333333 0.666668 0.904100 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666668 0.153662 Zn\n0.666668 0.333333 0.846338 Zn\n0.333333 0.666668 0.346338 Zn\n0.666668 0.333333 0.653662 Zn\n0.669034 0.834517 0.419894 F\n0.969425 0.484712 0.750000 F\n0.030576 0.515289 0.250000 F\n0.484712 0.969425 0.250000 F\n0.515289 0.484712 0.750000 F\n0.834517 0.165484 0.919894 F\n0.165484 0.330967 0.419894 F\n0.330967 0.165484 0.919894 F\n0.330967 0.165484 0.580106 F\n0.165484 0.834517 0.080106 F\n0.165484 0.330967 0.080106 F\n0.165484 0.834517 0.419894 F\n0.669034 0.834517 0.080106 F\n0.515289 0.030576 0.750000 F\n0.834517 0.165484 0.580106 F\n0.834517 0.669034 0.580106 F\n0.834517 0.669034 0.919894 F\n0.484712 0.515289 0.250000 F\n",
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],
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"volume": 445.6507038351487,
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"formula_full": "Rb6 Zn6 F18",
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},
{
"id": "jvasp-50930",
"created_at": "2022-09-04T14:37:29.670171Z",
"updated_at": "2022-09-04T14:37:29.670190Z",
"structure_string": "Rb6 Y2 O6\n1.0\n3.856783 6.097230 0.146043\n-3.856783 6.097230 -0.146043\n-1.399452 0.000000 7.044564\nRb Y O\n6 2 6\ndirect\n0.360637 0.639363 0.638924 Rb\n0.798654 0.798654 0.500000 Rb\n0.201346 0.201346 0.500000 Rb\n0.258850 0.258850 0.000000 Rb\n0.741150 0.741150 -0.000000 Rb\n0.639363 0.360637 0.361076 Rb\n0.181280 0.818720 0.147452 Y\n0.818720 0.181280 0.852548 Y\n0.099009 0.900991 0.838502 O\n0.170057 0.547357 0.268333 O\n0.452643 0.829943 0.268333 O\n0.829943 0.452643 0.731667 O\n0.547357 0.170057 0.731667 O\n0.900992 0.099009 0.161497 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.913043144182451,
"density_atomic": 0.04194028777144764,
"volume": 333.8079146307385,
"volume_molar": 14.358844633631218,
"formula_full": "Rb6 Y2 O6",
"formula_reduced": "Rb3YO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 12
},
{
"id": "jvasp-98613",
"created_at": "2022-09-04T14:36:12.326818Z",
"updated_at": "2022-09-04T14:36:12.326838Z",
"structure_string": "Rb6 V4 Br18\n1.0\n7.357935 -0.000000 -0.000000\n-3.678968 6.372159 0.000000\n0.000000 0.000000 18.323450\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.572531 Rb\n0.333333 0.666667 0.072531 Rb\n0.333333 0.666667 0.427469 Rb\n0.666667 0.333333 0.927469 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.161329 V\n0.333333 0.666667 0.838671 V\n0.333333 0.666667 0.661329 V\n0.666667 0.333333 0.338671 V\n0.169837 0.339675 0.587908 Br\n0.990814 0.495407 0.250000 Br\n0.339675 0.169837 0.087908 Br\n0.169837 0.830163 0.912092 Br\n0.495407 0.504594 0.750000 Br\n0.504594 0.495407 0.250000 Br\n0.495407 0.990813 0.750000 Br\n0.830163 0.660325 0.087908 Br\n0.830163 0.169837 0.412092 Br\n0.009187 0.504594 0.750000 Br\n0.169837 0.339675 0.912092 Br\n0.339675 0.169837 0.412092 Br\n0.504594 0.009187 0.250000 Br\n0.660325 0.830163 0.587908 Br\n0.169837 0.830163 0.587908 Br\n0.830163 0.660325 0.412092 Br\n0.660325 0.830163 0.912092 Br\n0.830163 0.169837 0.087908 Br\n",
"nsites": 28,
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"elements": [
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],
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"volume": 859.1120257885772,
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"formula_full": "Rb6 V4 Br18",
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},
{
"id": "jvasp-45301",
"created_at": "2022-09-04T14:38:35.194622Z",
"updated_at": "2022-09-04T14:38:35.194645Z",
"structure_string": "Rb6 Ti2 F14\n1.0\n8.080440 0.000000 0.000000\n0.000000 8.080440 0.000000\n0.000000 0.000000 5.982473\nRb Ti F\n6 2 14\ndirect\n0.188986 0.688986 0.500000 Rb\n0.688986 0.811014 0.500000 Rb\n0.311014 0.188986 0.500000 Rb\n0.811014 0.311014 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.334787 0.165213 0.000000 F\n0.834787 0.334787 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.614611 0.114611 0.227568 F\n0.114611 0.385389 0.227568 F\n0.114611 0.385389 0.772432 F\n0.385389 0.885389 0.227568 F\n0.885389 0.614611 0.772432 F\n0.665213 0.834787 0.000000 F\n0.614611 0.114611 0.772432 F\n0.385389 0.885389 0.772432 F\n0.885389 0.614611 0.227568 F\n0.165213 0.665213 0.000000 F\n",
"nsites": 22,
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"elements": [
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"F"
],
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"density": 3.717639760765164,
"density_atomic": 0.056321201874417345,
"volume": 390.6166642014259,
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"formula_full": "Rb6 Ti2 F14",
"formula_reduced": "Rb3TiF7",
"formula_anonymous": "AB3C7",
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"spacegroup": 127
}
]
}