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"results": [
{
"id": "jvasp-95163",
"created_at": "2022-09-04T14:35:40.727108Z",
"updated_at": "2022-09-04T14:35:40.727139Z",
"structure_string": "Rb16 Fe4 O14\n1.0\n6.883852 0.013755 0.000000\n-3.390292 6.104464 0.000000\n0.000000 0.000000 17.472594\nRb Fe O\n16 4 14\ndirect\n0.454380 0.244549 0.287582 Rb\n0.045620 0.755450 0.787582 Rb\n0.952695 0.215410 0.809646 Rb\n0.495298 0.641770 0.080648 Rb\n0.542536 0.772416 0.505095 Rb\n0.042536 0.772417 0.994905 Rb\n0.504701 0.358228 0.919351 Rb\n0.957463 0.227582 0.005095 Rb\n0.047304 0.784589 0.190354 Rb\n0.457463 0.227582 0.494905 Rb\n0.452695 0.215410 0.690354 Rb\n0.004702 0.358229 0.580648 Rb\n0.547304 0.784588 0.309646 Rb\n0.545620 0.755449 0.712417 Rb\n0.954380 0.244549 0.212417 Rb\n0.995298 0.641770 0.419351 Rb\n0.502077 0.146428 0.097486 Fe\n0.002077 0.146428 0.402514 Fe\n0.497922 0.853571 0.902514 Fe\n0.997922 0.853571 0.597486 Fe\n0.000000 0.000000 0.500000 O\n0.992620 0.037730 0.676853 O\n0.739268 0.575871 0.600309 O\n0.760731 0.424127 0.100309 O\n0.239268 0.575871 0.899691 O\n0.492621 0.037731 0.823146 O\n0.260336 0.829543 0.606262 O\n0.239663 0.170456 0.106262 O\n0.260731 0.424128 0.399691 O\n0.500000 -0.000000 0.000000 O\n0.739663 0.170456 0.393738 O\n0.007379 0.962268 0.323147 O\n0.507379 0.962268 0.176853 O\n0.760336 0.829542 0.893738 O\n",
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{
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"created_at": "2022-09-04T14:37:00.628380Z",
"updated_at": "2022-09-04T14:37:00.628415Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n0.000000 7.562748 0.073669\n8.011846 0.000000 0.000000\n0.000000 -3.399544 -9.748732\nRb Fe I\n4 2 8\ndirect\n0.800957 0.258051 0.962630 Rb\n0.702613 0.258302 0.412254 Rb\n0.297387 0.758302 0.587746 Rb\n0.199044 0.758051 0.037369 Rb\n0.198215 0.255085 0.785792 Fe\n0.801786 0.755085 0.214208 Fe\n0.367730 0.252757 0.055059 I\n0.417845 0.254163 0.637728 I\n0.973375 0.512612 0.720982 I\n0.632271 0.752757 0.944940 I\n0.030800 0.500331 0.280418 I\n0.582155 0.754164 0.362272 I\n0.026626 0.012612 0.279017 I\n0.969201 0.000331 0.719582 I\n",
"nsites": 14,
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"density": 4.143127110734461,
"density_atomic": 0.023781838790333788,
"volume": 588.6845051565293,
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"formula_full": "Rb4 Fe2 I8",
"formula_reduced": "Rb2FeI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.142857142857114e-05,
"spacegroup": 11
},
{
"id": "jvasp-86179",
"created_at": "2022-09-04T14:36:20.184572Z",
"updated_at": "2022-09-04T14:36:20.184582Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.108478 0.000000 -2.587085\n0.000000 8.012385 0.000000\n0.039114 0.000000 10.326381\nRb Fe I\n4 2 8\ndirect\n0.198949 0.744541 0.037342 Rb\n0.297531 0.744596 0.587804 Rb\n0.702468 0.244596 0.412196 Rb\n0.801050 0.244541 0.962658 Rb\n0.801817 0.743867 0.214277 Fe\n0.198183 0.243867 0.785723 Fe\n0.632296 0.743586 0.945056 I\n0.582124 0.743757 0.362247 I\n0.029149 0.488053 0.279924 I\n0.367704 0.243586 0.054944 I\n0.971721 0.500298 0.720372 I\n0.417875 0.243757 0.637753 I\n0.970851 0.988053 0.720076 I\n0.028279 0.000298 0.279629 I\n",
"nsites": 14,
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"density_atomic": 0.023770766159302584,
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"spacegroup": 11
},
{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
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"volume": 588.9471926523623,
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"formula_full": "Rb4 Fe2 I8",
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"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-107491",
"created_at": "2022-09-04T14:36:59.568106Z",
"updated_at": "2022-09-04T14:36:59.568136Z",
"structure_string": "Rb3 Fe1 F6\n1.0\n5.500984 0.142840 -3.405082\n-1.636310 5.253924 -3.405082\n-0.102289 -0.142840 6.468767\nRb Fe F\n3 1 6\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.499999 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.297683 0.297683 F\n-0.000000 0.702316 0.702317 F\n0.297683 0.000000 0.297683 F\n0.702316 0.000000 0.702317 F\n0.206129 0.206130 -0.000000 F\n0.793870 0.793870 -0.000000 F\n",
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"density": 3.8630613474621853,
"density_atomic": 0.05457949430940066,
"volume": 183.21899325984816,
"volume_molar": 11.03370567316297,
"formula_full": "Rb3 Fe1 F6",
"formula_reduced": "Rb3FeF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-34350",
"created_at": "2022-09-04T14:37:12.783683Z",
"updated_at": "2022-09-04T14:37:12.783709Z",
"structure_string": "Rb1 Fe1 F3\n1.0\n4.169133 0.000000 -0.000000\n-0.000000 4.169133 -0.000000\n0.000000 0.000000 4.169133\nRb Fe F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
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"spacegroup": 221
},
{
"id": "jvasp-34619",
"created_at": "2022-09-04T14:37:12.328467Z",
"updated_at": "2022-09-04T14:37:12.328497Z",
"structure_string": "Rb1 Fe1 F4\n1.0\n3.917246 0.000000 -0.000000\n-0.000000 3.917246 -0.000000\n-0.000000 -0.000000 6.382621\nRb Fe F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.797394 F\n0.500000 0.500000 0.202606 F\n0.500000 0.000000 0.500000 F\n0.000000 0.500000 0.500000 F\n",
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"volume": 97.94014627573654,
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"formula_full": "Rb1 Fe1 F4",
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"formula_anonymous": "ABC4",
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"spacegroup": 123
},
{
"id": "jvasp-110097",
"created_at": "2022-09-04T14:38:20.193225Z",
"updated_at": "2022-09-04T14:38:20.193245Z",
"structure_string": "Rb2 Fe1 F4\n1.0\n4.060243 0.076815 -6.299346\n-0.287576 4.050774 -6.299346\n-0.070210 -0.076815 7.494158\nRb Fe F\n2 1 4\ndirect\n0.353294 0.353294 -0.000002 Rb\n0.646704 0.646704 -0.000003 Rb\n0.000000 0.000000 0.000000 Fe\n0.150757 0.150757 -0.000001 F\n0.849241 0.849241 -0.000004 F\n0.500000 -0.000000 0.500000 F\n-0.000001 0.500000 0.499999 F\n",
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"formula_full": "Rb2 Fe1 F4",
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},
{
"id": "jvasp-25648",
"created_at": "2022-09-04T14:37:43.267262Z",
"updated_at": "2022-09-04T14:37:43.267279Z",
"structure_string": "Rb4 Fe4 F16\n1.0\n6.249353 -0.000000 0.000000\n-0.000000 7.348748 0.000000\n0.000000 0.000000 7.393282\nRb Fe F\n4 4 16\ndirect\n0.465405 0.270075 0.250000 Rb\n0.465405 0.229925 0.750000 Rb\n0.534595 0.770075 0.250000 Rb\n0.534595 0.729925 0.750000 Rb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.065966 0.515231 0.750000 F\n0.065966 0.984770 0.250000 F\n0.080996 0.250000 0.500000 F\n0.919003 0.750000 0.000000 F\n0.919003 0.750000 0.500000 F\n0.080996 0.250000 0.000000 F\n0.714828 0.049376 0.038425 F\n0.285172 0.950625 0.961574 F\n0.285172 0.549376 0.461575 F\n0.285172 0.950625 0.538425 F\n0.934034 0.484769 0.250000 F\n0.285172 0.549376 0.038425 F\n0.714828 0.450625 0.538425 F\n0.714828 0.049376 0.461575 F\n0.714828 0.450625 0.961574 F\n0.934034 0.015231 0.750000 F\n",
"nsites": 24,
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},
{
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"created_at": "2022-09-04T14:37:13.805416Z",
"updated_at": "2022-09-04T14:37:13.805443Z",
"structure_string": "Rb2 Fe2 F8\n1.0\n5.382687 -0.000000 0.000000\n-0.000000 5.382687 -0.000000\n-0.000000 -0.000000 6.427659\nRb Fe F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.295647 F\n0.000000 0.000000 0.704353 F\n0.500000 0.500000 0.704353 F\n0.000000 0.000000 0.295647 F\n0.320953 0.820953 0.000000 F\n0.179048 0.320953 0.000000 F\n0.820953 0.679048 0.000000 F\n0.679048 0.179048 0.000000 F\n",
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"formula_full": "Rb2 Fe2 F8",
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},
{
"id": "jvasp-109636",
"created_at": "2022-09-04T14:38:16.752964Z",
"updated_at": "2022-09-04T14:38:16.752996Z",
"structure_string": "Rb1 Fe1 Cl3\n1.0\n4.931674 -0.000000 0.000000\n0.000000 4.931674 0.000000\n-0.000000 -0.000000 4.931674\nRb Fe Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 5,
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},
{
"id": "jvasp-110928",
"created_at": "2022-09-04T14:38:38.447013Z",
"updated_at": "2022-09-04T14:38:38.447044Z",
"structure_string": "Rb2 Fe2 Cl6\n1.0\n7.028207 0.000000 0.000000\n-3.514103 6.086606 0.000000\n0.000000 0.000000 5.750758\nRb Fe Cl\n2 2 6\ndirect\n0.333334 0.666667 0.750000 Rb\n0.666667 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.164568 0.329136 0.250000 Cl\n0.835433 0.670865 0.750000 Cl\n0.670865 0.835433 0.250000 Cl\n0.329136 0.164568 0.750000 Cl\n0.164569 0.835433 0.250000 Cl\n0.835433 0.164568 0.750000 Cl\n",
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],
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"formula_full": "Rb2 Fe2 Cl6",
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"formula_anonymous": "ABC3",
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"spacegroup": 194
}
]
}