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{
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"results": [
{
"id": "jvasp-25213",
"created_at": "2022-09-04T14:38:06.226235Z",
"updated_at": "2022-09-04T14:38:06.226267Z",
"structure_string": "Kr2\n1.0\n3.971785 0.000000 -0.000000\n-1.985893 3.439667 0.000000\n0.000000 0.000000 6.476293\nKr\n2\ndirect\n0.333333 0.666668 0.250000 Kr\n0.666667 0.333333 0.750000 Kr\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.02260483678878589,
"volume": 88.47663969828734,
"volume_molar": 26.64093891174452,
"formula_full": "Kr2",
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{
"id": "jvasp-108604",
"created_at": "2022-09-04T14:38:06.224053Z",
"updated_at": "2022-09-04T14:38:06.224063Z",
"structure_string": "Rb2 Y1 Hg1 F6\n1.0\n5.752607 -0.000000 3.321269\n1.917536 5.423610 3.321269\n-0.000000 -0.000000 6.642538\nRb Y Hg F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.500000 Hg\n0.770023 0.229977 0.229977 F\n0.229978 0.229977 0.770023 F\n0.229978 0.770023 0.770023 F\n0.229978 0.770023 0.229977 F\n0.770023 0.229977 0.770023 F\n0.770024 0.770023 0.229977 F\n",
"nsites": 10,
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"F"
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"volume": 207.24650043064133,
"volume_molar": 12.480675976107229,
"formula_full": "Rb2 Y1 Hg1 F6",
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{
"id": "jvasp-53367",
"created_at": "2022-09-04T14:38:06.221456Z",
"updated_at": "2022-09-04T14:38:06.221492Z",
"structure_string": "Fe2 Ni4 S8\n1.0\n5.809495 -0.024967 3.280586\n1.912959 5.485567 3.280586\n-0.000000 -0.000000 6.561171\nFe Ni S\n2 4 8\ndirect\n0.500001 0.500000 0.500000 Fe\n0.500001 0.500000 0.000000 Fe\n0.122450 0.122450 0.127551 Ni\n0.000000 0.500000 0.500000 Ni\n0.500001 -0.000000 0.500000 Ni\n0.877551 0.877551 0.872450 Ni\n0.260711 0.260711 0.253100 S\n0.260711 0.260711 0.725479 S\n0.261444 0.725250 0.256653 S\n0.725251 0.261444 0.256653 S\n0.274751 0.738556 0.743347 S\n0.738557 0.274750 0.743347 S\n0.739290 0.739289 0.274522 S\n0.739290 0.739289 0.746901 S\n",
"nsites": 14,
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"elements": [
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"Ni",
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"chemical_system": "Fe-Ni-S",
"density": 4.781486665859467,
"density_atomic": 0.0668553838866389,
"volume": 209.407218777453,
"volume_molar": 9.007712483128122,
"formula_full": "Fe2 Ni4 S8",
"formula_reduced": "Fe(NiS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0600886142857138,
"spacegroup": 74
},
{
"id": "jvasp-38055",
"created_at": "2022-09-04T14:38:06.220401Z",
"updated_at": "2022-09-04T14:38:06.220423Z",
"structure_string": "Rb2 S1 Br1 Cl6\n1.0\n-0.000000 5.246253 5.246253\n5.246253 0.000000 5.246253\n5.246253 5.246253 -0.000000\nRb S Br Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 Br\n0.224325 0.775674 0.775674 Cl\n0.224325 0.775674 0.224325 Cl\n0.775674 0.224325 0.775674 Cl\n0.775674 0.775674 0.224325 Cl\n0.224325 0.224325 0.775674 Cl\n0.775674 0.224325 0.224325 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"S",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-Rb-S",
"density": 2.8498533462685978,
"density_atomic": 0.03462759366202714,
"volume": 288.7870320300677,
"volume_molar": 17.391161565476963,
"formula_full": "Rb2 S1 Br1 Cl6",
"formula_reduced": "Rb2SBrCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-5662",
"created_at": "2022-09-04T14:38:06.210354Z",
"updated_at": "2022-09-04T14:38:06.210380Z",
"structure_string": "Ta2 Te4 Br12\n1.0\n6.768955 -0.426230 -0.173109\n0.979436 6.993244 -0.190259\n2.066727 1.031821 12.315749\nTa Te Br\n2 4 12\ndirect\n0.793339 0.323670 0.818488 Ta\n0.206663 0.676330 0.181512 Ta\n0.252838 0.157234 0.528085 Te\n0.747164 0.842766 0.471915 Te\n0.426547 0.845216 0.631152 Te\n0.573454 0.154783 0.368848 Te\n0.484457 0.149088 0.863452 Br\n0.515545 0.850912 0.136548 Br\n0.698275 0.405986 0.620392 Br\n0.301727 0.594014 0.379608 Br\n0.883815 0.525099 0.253323 Br\n0.960245 0.005649 0.743538 Br\n0.039757 0.994350 0.256462 Br\n0.377726 0.369062 0.130439 Br\n0.094059 0.753970 0.004593 Br\n0.905943 0.246029 0.995407 Br\n0.116187 0.474900 0.746677 Br\n0.622276 0.630938 0.869561 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Te",
"Br"
],
"chemical_system": "Br-Ta-Te",
"density": 5.1366848740915305,
"density_atomic": 0.030407722248971793,
"volume": 591.9548939779155,
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"formula_full": "Ta2 Te4 Br12",
"formula_reduced": "Ta(TeBr3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
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{
"id": "jvasp-33830",
"created_at": "2022-09-04T14:38:06.207491Z",
"updated_at": "2022-09-04T14:38:06.207508Z",
"structure_string": "Lu2 Br6\n1.0\n9.573194 -0.000000 0.000000\n-4.786597 8.290631 0.000000\n-0.000000 -0.000000 3.647041\nLu Br\n2 6\ndirect\n0.333333 0.666666 0.750001 Lu\n0.666668 0.333333 0.250000 Lu\n0.208396 0.416794 0.250000 Br\n0.583205 0.791603 0.250000 Br\n0.208397 0.791603 0.250000 Br\n0.791603 0.583207 0.750001 Br\n0.416793 0.208397 0.750001 Br\n0.791603 0.208397 0.750001 Br\n",
"nsites": 8,
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"elements": [
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"Br"
],
"chemical_system": "Br-Lu",
"density": 4.757798489548224,
"density_atomic": 0.027637890726732114,
"volume": 289.45768977450166,
"volume_molar": 21.789436898580774,
"formula_full": "Lu2 Br6",
"formula_reduced": "LuBr3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-12903",
"created_at": "2022-09-04T14:38:06.191775Z",
"updated_at": "2022-09-04T14:38:06.191798Z",
"structure_string": "Tl2 Au2 Cl8\n1.0\n5.726685 0.000000 0.000000\n-2.863342 5.899199 -1.246209\n0.000000 0.105165 9.856695\nTl Au Cl\n2 2 8\ndirect\n0.235190 0.000001 0.750000 Tl\n0.764810 0.000000 0.250000 Tl\n0.000000 0.500000 -0.000000 Au\n0.500000 0.500001 0.500000 Au\n0.710079 0.534715 0.851131 Cl\n0.175365 0.465286 0.648868 Cl\n0.289921 0.465286 0.148868 Cl\n0.824635 0.534715 0.351132 Cl\n0.312788 0.111123 0.428929 Cl\n0.201666 0.888878 0.071071 Cl\n0.687212 0.888878 0.571071 Cl\n0.798334 0.111123 0.928929 Cl\n",
"nsites": 12,
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"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Tl",
"density": 5.405090194043836,
"density_atomic": 0.03595636863118204,
"volume": 333.7378177170365,
"volume_molar": 16.74846762689346,
"formula_full": "Tl2 Au2 Cl8",
"formula_reduced": "TlAuCl4",
"formula_anonymous": "ABC4",
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"spacegroup": 15
},
{
"id": "jvasp-48220",
"created_at": "2022-09-04T14:38:06.188132Z",
"updated_at": "2022-09-04T14:38:06.188146Z",
"structure_string": "Li4 Cr5 O10\n1.0\n5.017248 0.011690 0.004042\n-1.665702 5.617130 -0.045123\n-0.837315 -1.833885 6.207076\nLi Cr O\n4 5 10\ndirect\n0.597881 0.189524 0.190598 Li\n0.807705 0.616105 0.614715 Li\n0.192296 0.383895 0.385286 Li\n0.402121 0.810475 0.809402 Li\n0.800944 0.102889 0.608169 Cr\n0.393213 0.299243 0.803764 Cr\n0.606789 0.700756 0.196237 Cr\n0.000000 0.500000 0.000000 Cr\n0.199058 0.897110 0.391832 Cr\n0.506812 0.768608 0.488642 O\n0.313429 0.373321 0.095359 O\n0.906396 0.562488 0.292739 O\n0.093605 0.437511 0.707261 O\n0.691035 0.167559 0.890754 O\n0.493189 0.231391 0.511359 O\n0.894777 0.033848 0.320019 O\n0.105225 0.966151 0.679982 O\n0.686572 0.626678 0.904641 O\n0.308966 0.832440 0.109247 O\n",
"nsites": 19,
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"elements": [
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"O"
],
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"density": 4.256558986997855,
"density_atomic": 0.10877741142525107,
"volume": 174.66861686680502,
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"formula_full": "Li4 Cr5 O10",
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"formula_anonymous": "A4B5C10",
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"spacegroup": 2
},
{
"id": "jvasp-35176",
"created_at": "2022-09-04T14:38:06.184609Z",
"updated_at": "2022-09-04T14:38:06.184625Z",
"structure_string": "Mg4 Si2 O8\n1.0\n2.789760 -0.000000 -0.000000\n-1.394880 4.725107 0.000000\n0.000000 0.000000 9.434973\nMg Si O\n4 2 8\ndirect\n0.138539 0.277078 0.853658 Mg\n0.861461 0.722923 0.353658 Mg\n0.609285 0.218569 0.185059 Mg\n0.390715 0.781431 0.685059 Mg\n0.126993 0.253986 0.499298 Si\n0.873007 0.746015 0.999298 Si\n0.494197 0.988395 0.937628 O\n0.505803 0.011605 0.437628 O\n0.251724 0.503447 0.045871 O\n0.748276 0.496554 0.545870 O\n0.794212 0.588424 0.826396 O\n0.205788 0.411576 0.326396 O\n0.044672 0.089343 0.662889 O\n0.955328 0.910658 0.162890 O\n",
"nsites": 14,
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"volume": 124.37100743656758,
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"formula_full": "Mg4 Si2 O8",
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{
"id": "jvasp-108962",
"created_at": "2022-09-04T14:38:06.184423Z",
"updated_at": "2022-09-04T14:38:06.184451Z",
"structure_string": "Co1 H2 O2\n1.0\n3.402697 -0.000000 0.000000\n-1.701349 2.946822 0.000000\n-0.000000 -0.000000 4.196252\nCo H O\n1 2 2\ndirect\n0.666667 0.333333 0.972389 Co\n0.333333 0.666666 0.024253 H\n0.000000 0.000000 0.440378 H\n0.333333 0.666666 0.786141 O\n0.000000 0.000000 0.207039 O\n",
"nsites": 5,
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"formula_full": "Co1 H2 O2",
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"spacegroup": 156
},
{
"id": "jvasp-37454",
"created_at": "2022-09-04T14:38:06.184248Z",
"updated_at": "2022-09-04T14:38:06.184269Z",
"structure_string": "Sm6 Ho2\n1.0\n3.598570 -6.232905 0.000000\n3.598570 6.232905 0.000000\n0.000000 0.000000 5.737898\nSm Ho\n6 2\ndirect\n0.167173 0.832827 0.750000 Sm\n0.665653 0.832827 0.750000 Sm\n0.167173 0.334347 0.750000 Sm\n0.832827 0.167173 0.250000 Sm\n0.334347 0.167173 0.250000 Sm\n0.832827 0.665653 0.250000 Sm\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
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{
"id": "jvasp-10795",
"created_at": "2022-09-04T14:38:06.183775Z",
"updated_at": "2022-09-04T14:38:06.183802Z",
"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
}
]
}