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{
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"results": [
{
"id": "jvasp-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
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{
"id": "jvasp-88222",
"created_at": "2022-09-04T14:36:16.184413Z",
"updated_at": "2022-09-04T14:36:16.184437Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.138152 0.000000 0.000000\n0.000000 9.295348 0.000000\n0.000000 0.000000 12.560125\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.371958 0.588301 Rb\n0.750000 0.521405 0.173124 Rb\n0.750000 0.021405 0.326876 Rb\n0.750000 0.871958 0.911700 Rb\n0.250000 0.628042 0.411700 Rb\n0.250000 0.478595 0.826876 Rb\n0.250000 0.978595 0.673124 Rb\n0.250000 0.128042 0.088301 Rb\n0.750000 0.773246 0.576856 Zn\n0.250000 0.726754 0.076856 Zn\n0.250000 0.226754 0.423145 Zn\n0.750000 0.273246 0.923145 Zn\n0.007226 0.673883 0.654046 Cl\n0.750000 0.686338 0.406193 Cl\n0.992773 0.826117 0.154045 Cl\n0.492773 0.173883 0.845955 Cl\n0.507226 0.326117 0.345955 Cl\n0.750000 0.016685 0.592919 Cl\n0.492773 0.673883 0.654046 Cl\n0.507226 0.826117 0.154045 Cl\n0.007226 0.173883 0.845955 Cl\n0.750000 0.186338 0.093807 Cl\n0.250000 0.813663 0.906193 Cl\n0.250000 0.313662 0.593808 Cl\n0.750000 0.516685 0.907082 Cl\n0.250000 0.983315 0.407081 Cl\n0.250000 0.483315 0.092919 Cl\n0.992773 0.326117 0.345955 Cl\n",
"nsites": 28,
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"elements": [
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],
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"volume": 833.3844768270784,
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"formula_full": "Rb8 Zn4 Cl16",
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"spacegroup": 62
},
{
"id": "jvasp-111040",
"created_at": "2022-09-04T14:38:45.726772Z",
"updated_at": "2022-09-04T14:38:45.726804Z",
"structure_string": "La6 Zn1 Cu1\n1.0\n4.920005 -0.000000 0.000000\n0.000000 4.920005 0.000000\n0.000000 -0.000000 9.836633\nLa Zn Cu\n6 1 1\ndirect\n0.500001 0.500001 -0.000000 La\n0.500001 0.500001 0.500000 La\n0.500001 0.000000 0.248090 La\n0.500001 0.000000 0.751909 La\n-0.000000 0.500001 0.248090 La\n-0.000000 0.500001 0.751909 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 8,
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"elements": [
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],
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"density_atomic": 0.03359792299461337,
"volume": 238.1099570137895,
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"formula_full": "La6 Zn1 Cu1",
"formula_reduced": "La6ZnCu",
"formula_anonymous": "ABC6",
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"spacegroup": 123
},
{
"id": "jvasp-18519",
"created_at": "2022-09-04T14:35:47.166543Z",
"updated_at": "2022-09-04T14:35:47.166571Z",
"structure_string": "Sr2 Mn2 Bi4\n1.0\n4.550579 -0.000000 -0.883904\n-0.171689 4.547339 -0.883904\n-0.116863 -0.121359 11.554118\nSr Mn Bi\n2 2 4\ndirect\n0.879635 0.879634 0.759270 Sr\n0.120366 0.120366 0.240731 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.000000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.323556 0.323555 0.647110 Bi\n0.676445 0.676445 0.352891 Bi\n",
"nsites": 8,
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],
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"density": 7.817817205756454,
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"volume": 238.11338003724765,
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"formula_full": "Sr2 Mn2 Bi4",
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"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-110051",
"created_at": "2022-09-04T14:38:13.472296Z",
"updated_at": "2022-09-04T14:38:13.472324Z",
"structure_string": "Tl3 In1\n1.0\n4.919479 0.000000 0.000000\n0.000000 4.919479 0.000000\n-0.000000 0.000000 4.919479\nTl In\n3 1\ndirect\n0.500000 0.500000 -0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.033597167013424856,
"volume": 119.05765740312772,
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"formula_full": "Tl3 In1",
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},
{
"id": "jvasp-110896",
"created_at": "2022-09-04T14:38:48.071376Z",
"updated_at": "2022-09-04T14:38:48.071397Z",
"structure_string": "Y4 Br6\n1.0\n7.303120 -0.065269 4.182705\n6.291423 3.709154 4.182705\n-0.260620 -0.069857 10.663500\nY Br\n4 6\ndirect\n0.919137 0.919134 0.451650 Y\n0.080864 0.080863 0.548350 Y\n0.634042 0.634041 0.212974 Y\n0.365959 0.365957 0.787025 Y\n0.840953 0.840951 0.011971 Br\n0.159049 0.159047 0.988029 Br\n0.725910 0.725908 0.381620 Br\n0.274092 0.274090 0.618379 Br\n0.453258 0.453257 0.229667 Br\n0.546743 0.546741 0.770332 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Y",
"density": 4.658650691449931,
"density_atomic": 0.03359695536478293,
"volume": 297.6460185580453,
"volume_molar": 17.92466220410121,
"formula_full": "Y4 Br6",
"formula_reduced": "Y2Br3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8582666430000002,
"spacegroup": 12
},
{
"id": "jvasp-5839",
"created_at": "2022-09-04T14:36:14.659129Z",
"updated_at": "2022-09-04T14:36:14.659157Z",
"structure_string": "Al2 Si2 Te6\n1.0\n3.465173 -6.001856 0.000000\n3.465173 6.001856 0.000000\n0.000000 0.000000 7.156463\nAl Si Te\n2 2 6\ndirect\n0.333332 0.666667 0.499965 Al\n0.666667 0.333332 0.500034 Al\n-0.000000 -0.000000 0.661176 Si\n-0.000000 -0.000000 0.338824 Si\n0.355257 0.355236 0.249612 Te\n-0.000021 0.644743 0.249612 Te\n0.644763 0.000020 0.249612 Te\n0.000020 0.355257 0.750388 Te\n0.644742 0.644763 0.750388 Te\n0.355237 -0.000021 0.750388 Te\n",
"nsites": 10,
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"elements": [
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"Si",
"Te"
],
"chemical_system": "Al-Si-Te",
"density": 4.885200895102251,
"density_atomic": 0.033593950729213964,
"volume": 297.67263995251983,
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"formula_full": "Al2 Si2 Te6",
"formula_reduced": "AlSiTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.55509294,
"spacegroup": 162
},
{
"id": "jvasp-117989",
"created_at": "2022-09-04T14:38:30.193315Z",
"updated_at": "2022-09-04T14:38:30.193330Z",
"structure_string": "Ca1 Te1 O1\n1.0\n3.540280 -0.000000 -0.000000\n-0.000000 3.540280 0.000000\n-0.000000 0.000000 7.125023\nCa Te O\n1 1 1\ndirect\n0.000000 0.000000 0.413751 Ca\n0.000000 0.000000 -0.031802 Te\n0.000000 0.000000 0.695954 O\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.4154137836600897,
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"volume": 89.30206343099701,
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"formula_full": "Ca1 Te1 O1",
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"spacegroup": 99
},
{
"id": "jvasp-38397",
"created_at": "2022-09-04T14:37:59.695647Z",
"updated_at": "2022-09-04T14:37:59.695667Z",
"structure_string": "Pr3 Ag1\n1.0\n-2.398462 2.398462 5.174699\n2.398462 -2.398462 5.174699\n2.398462 2.398462 -5.174699\nPr Ag\n3 1\ndirect\n0.749998 0.250000 0.499998 Pr\n0.250000 0.749998 0.499998 Pr\n0.499999 0.499999 0.000000 Pr\n0.000000 0.000000 0.000000 Ag\n",
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},
{
"id": "jvasp-107263",
"created_at": "2022-09-04T14:37:00.844324Z",
"updated_at": "2022-09-04T14:37:00.844346Z",
"structure_string": "Ba1 Mg2 In2\n1.0\n4.569038 -0.022807 -5.492423\n-0.614700 4.527557 -5.492423\n0.020020 0.022807 7.144398\nBa Mg In\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500001 Mg\n0.250000 0.750001 0.500001 Mg\n0.383829 0.383829 0.000000 In\n0.616172 0.616171 0.000001 In\n",
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},
{
"id": "jvasp-59675",
"created_at": "2022-09-04T14:37:50.095058Z",
"updated_at": "2022-09-04T14:37:50.095078Z",
"structure_string": "Ce8 Sb6\n1.0\n7.684149 -0.000000 -2.716757\n-3.842074 6.654668 -2.716757\n0.000000 0.000000 8.150270\nCe Sb\n8 6\ndirect\n0.147081 0.147081 0.147081 Ce\n0.852920 0.500000 1.000000 Ce\n1.000001 0.852919 0.500000 Ce\n0.500000 -0.000000 0.852919 Ce\n1.000000 0.352919 0.500000 Ce\n0.500000 -0.000000 0.352919 Ce\n0.352920 0.500000 1.000000 Ce\n0.647081 0.647081 0.647081 Ce\n0.250000 0.625000 0.375000 Sb\n0.375000 0.250000 0.625000 Sb\n0.125001 0.750000 0.875000 Sb\n0.875000 0.125000 0.750000 Sb\n0.625000 0.375000 0.250000 Sb\n0.750001 0.875000 0.125000 Sb\n",
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{
"id": "jvasp-108882",
"created_at": "2022-09-04T14:38:19.473390Z",
"updated_at": "2022-09-04T14:38:19.473414Z",
"structure_string": "Li1 Sm3\n1.0\n4.919845 -0.000000 0.000000\n0.000000 4.919845 0.000000\n-0.000000 0.000000 4.919845\nLi Sm\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n-0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Sm\n",
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}
]
}