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"results": [
{
"id": "jvasp-85302",
"created_at": "2022-09-04T14:35:58.033138Z",
"updated_at": "2022-09-04T14:35:58.033150Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.548836 0.000000 0.000000\n0.000000 7.373200 -0.047778\n0.000000 -0.035262 10.489974\nK Sn Br\n4 2 12\ndirect\n0.437386 0.981725 0.251921 K\n0.062614 0.481725 0.751921 K\n0.937386 0.518275 0.248078 K\n0.562615 0.018275 0.748078 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.701640 0.790292 0.462215 Br\n-0.002718 0.928927 0.752324 Br\n0.201640 0.709708 0.037785 Br\n0.298360 0.209708 0.537785 Br\n0.497282 0.571074 0.747675 Br\n0.002718 0.071074 0.247675 Br\n0.289533 0.199682 0.968984 Br\n0.710468 0.800319 0.031015 Br\n0.210467 0.699681 0.468984 Br\n0.502718 0.428927 0.252324 Br\n0.789533 0.300319 0.531015 Br\n0.798360 0.290292 0.962215 Br\n",
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{
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"updated_at": "2022-09-04T14:37:18.640602Z",
"structure_string": "Li4 Ca4 Sb4\n1.0\n4.619280 0.000000 0.000000\n0.000000 7.626611 0.000000\n0.000000 0.000000 8.271256\nLi Ca Sb\n4 4 4\ndirect\n0.750000 0.847548 0.427132 Li\n0.250000 0.152452 0.572868 Li\n0.250000 0.652452 0.927132 Li\n0.750000 0.347548 0.072868 Li\n0.750000 0.490577 0.703234 Ca\n0.750000 0.990577 0.796767 Ca\n0.250000 0.509422 0.296766 Ca\n0.250000 0.009422 0.203234 Ca\n0.750000 0.731110 0.098875 Sb\n0.250000 0.268890 0.901125 Sb\n0.750000 0.231110 0.401125 Sb\n0.250000 0.768890 0.598876 Sb\n",
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"density_atomic": 0.04118166484896287,
"volume": 291.3918134201466,
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"formula_full": "Li4 Ca4 Sb4",
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{
"id": "jvasp-22586",
"created_at": "2022-09-04T14:37:08.377413Z",
"updated_at": "2022-09-04T14:37:08.377450Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145496 -0.000000 2.970754\n1.715166 4.851220 2.970754\n-0.000000 0.000000 5.941507\nRb Ni F\n2 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215652 0.784349 0.784348 F\n0.215652 0.784349 0.215650 F\n0.784350 0.215651 0.784348 F\n0.784350 0.215651 0.215650 F\n0.784350 0.784349 0.215650 F\n0.215651 0.215651 0.784349 F\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "F-Ni-Rb",
"density": 3.8472638234795897,
"density_atomic": 0.060683089195067416,
"volume": 148.3115002776022,
"volume_molar": 9.923919233316662,
"formula_full": "Rb2 Ni1 F6",
"formula_reduced": "Rb2NiF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 5.551115123125783e-17,
"spacegroup": 225
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{
"id": "jvasp-90503",
"created_at": "2022-09-04T14:35:40.965297Z",
"updated_at": "2022-09-04T14:35:40.965320Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145491 -0.000000 2.970751\n1.715164 4.851216 2.970751\n-0.000000 0.000000 5.941502\nRb Ni F\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215650 0.784349 0.784349 F\n0.215650 0.784349 0.215651 F\n0.784348 0.215651 0.784348 F\n0.784348 0.215651 0.215651 F\n0.784348 0.784349 0.215651 F\n0.215651 0.215651 0.784349 F\n",
"nsites": 9,
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"volume": 148.31110906248975,
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"formula_full": "Rb2 Ni1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-25871",
"created_at": "2022-09-04T14:38:02.761293Z",
"updated_at": "2022-09-04T14:38:02.761319Z",
"structure_string": "Rb2 Ni1 F6\n1.0\n5.145491 -0.000000 2.970751\n1.715164 4.851216 2.970751\n-0.000000 -0.000000 5.941502\nRb Ni F\n2 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ni\n0.215650 0.784349 0.784349 F\n0.215650 0.784349 0.215651 F\n0.784348 0.215651 0.784348 F\n0.784348 0.215651 0.215651 F\n0.784348 0.784349 0.215651 F\n0.215651 0.215651 0.784349 F\n",
"nsites": 9,
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"density": 3.8472739717938924,
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"volume": 148.31110906248975,
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"formula_full": "Rb2 Ni1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
},
{
"id": "jvasp-38010",
"created_at": "2022-09-04T14:37:19.447521Z",
"updated_at": "2022-09-04T14:37:19.447539Z",
"structure_string": "Na2 Ag2 C4 O8\n1.0\n3.226403 -0.007494 -0.232036\n0.124194 5.508565 -0.071736\n0.185613 0.170060 10.614785\nNa Ag C O\n2 2 4 8\ndirect\n0.375288 0.437202 0.156230 Na\n0.624709 0.562798 0.843769 Na\n0.697234 0.939111 0.335863 Ag\n0.302763 0.060889 0.664137 Ag\n0.071621 0.428159 0.441334 C\n0.928376 0.571841 0.558666 C\n0.908371 0.948038 0.060978 C\n0.091626 0.051962 0.939022 C\n0.118187 0.901664 0.848582 O\n0.881810 0.098336 0.151418 O\n0.200803 0.269691 0.938903 O\n0.799193 0.730309 0.061097 O\n0.015712 0.484914 0.667242 O\n-0.015715 0.515085 0.332758 O\n0.727323 0.769874 0.536703 O\n0.272673 0.230125 0.463296 O\n",
"nsites": 16,
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"elements": [
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"C",
"O"
],
"chemical_system": "Ag-C-Na-O",
"density": 3.8473605884860564,
"density_atomic": 0.08468445849762014,
"volume": 188.9366748498444,
"volume_molar": 7.111270316700717,
"formula_full": "Na2 Ag2 C4 O8",
"formula_reduced": "NaAg(CO2)2",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-105683",
"created_at": "2022-09-04T14:36:18.821562Z",
"updated_at": "2022-09-04T14:36:18.821588Z",
"structure_string": "Rb2 Li1 Y1 Br6\n1.0\n6.663139 0.000000 3.846965\n2.221046 6.282068 3.846965\n0.000000 0.000000 7.693930\nRb Li Y Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Y\n0.745849 0.254152 0.254151 Br\n0.254152 0.254152 0.745848 Br\n0.254152 0.745849 0.745847 Br\n0.254152 0.745849 0.254151 Br\n0.745849 0.254152 0.745847 Br\n0.745849 0.745849 0.254150 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.8474976130846827,
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"volume": 322.05477080997133,
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"formula_full": "Rb2 Li1 Y1 Br6",
"formula_reduced": "Rb2LiYBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-47962",
"created_at": "2022-09-04T14:35:42.791441Z",
"updated_at": "2022-09-04T14:35:42.791470Z",
"structure_string": "Li2 V1 O2 F1\n1.0\n1.407608 -2.438050 -0.000000\n1.407608 2.438050 0.000000\n-0.000000 0.000000 7.282780\nLi V O F\n2 1 2 1\ndirect\n0.333334 0.666668 0.658488 Li\n0.666668 0.333334 0.341512 Li\n0.000000 0.000000 0.000000 V\n0.333334 0.666668 0.164058 O\n0.666668 0.333334 0.835942 O\n0.000000 0.000000 0.500000 F\n",
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"formula_anonymous": "ABC2D2",
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},
{
"id": "jvasp-94380",
"created_at": "2022-09-04T14:35:53.203994Z",
"updated_at": "2022-09-04T14:35:53.204021Z",
"structure_string": "Y4 Mg2\n1.0\n6.006563 -0.000000 -0.000000\n-3.003281 5.201835 0.000000\n-0.000000 0.000000 5.583546\nY Mg\n4 2\ndirect\n0.649648 0.000000 0.000000 Y\n0.350352 0.350352 0.000000 Y\n0.000000 0.649649 0.000000 Y\n0.000000 0.000000 0.500000 Y\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666668 0.500000 Mg\n",
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{
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"created_at": "2022-09-04T14:36:31.456908Z",
"updated_at": "2022-09-04T14:36:31.456949Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.046953 0.161228 -0.036010\n-0.651890 6.698598 1.510921\n-2.920415 0.010824 7.640259\nW S Cl\n2 2 8\ndirect\n0.137620 0.243195 0.218096 W\n0.862379 0.756805 0.781904 W\n0.311762 -0.035339 0.296549 S\n0.688237 0.035339 0.703451 S\n0.878737 0.656092 0.083043 Cl\n0.121261 0.343908 0.916957 Cl\n0.547247 0.545610 0.712586 Cl\n0.452752 0.454390 0.287414 Cl\n0.921935 0.733765 0.525266 Cl\n0.078063 0.266235 0.474734 Cl\n0.253455 0.845547 0.897073 Cl\n0.746543 0.154453 0.102927 Cl\n",
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],
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{
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"created_at": "2022-09-04T14:38:45.162857Z",
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"structure_string": "Sr2 Ca2 Ni2 P4 O16\n1.0\n5.534365 0.023110 -1.127025\n-1.504257 6.297415 -2.261725\n0.056290 0.017548 9.292460\nSr Ca Ni P O\n2 2 2 4 16\ndirect\n0.271276 0.805053 0.067342 Sr\n0.728723 0.194948 0.932658 Sr\n0.016985 0.422814 0.663515 Ca\n-0.016986 0.577188 0.336485 Ca\n0.645270 0.850512 0.557783 Ni\n0.354729 0.149489 0.442217 Ni\n0.156494 0.968293 0.703161 P\n0.843505 0.031708 0.296839 P\n0.385253 0.418112 0.225413 P\n0.614746 0.581889 0.774587 P\n0.357415 0.199173 0.241974 O\n0.633012 0.962117 0.371072 O\n0.589764 0.408431 0.609461 O\n0.410235 0.591570 0.390539 O\n0.143328 0.432150 0.118979 O\n0.735927 0.002632 0.125948 O\n0.264072 -0.002631 0.874053 O\n0.642584 0.800828 0.758026 O\n0.010837 0.735682 0.596889 O\n0.391646 0.538446 0.840896 O\n0.953485 0.101798 0.693423 O\n0.046514 0.898203 0.306577 O\n0.608353 0.461556 0.159104 O\n0.856671 0.567851 0.881022 O\n0.989162 0.264319 0.403111 O\n0.366987 0.037884 0.628928 O\n",
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"formula_full": "Sr2 Ca2 Ni2 P4 O16",
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{
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"created_at": "2022-09-04T14:36:55.864054Z",
"updated_at": "2022-09-04T14:36:55.864087Z",
"structure_string": "Ca2 Al4 Se8\n1.0\n6.163055 -0.060617 0.000000\n-2.921872 5.426748 0.000000\n0.000000 0.000000 10.634338\nCa Al Se\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Ca\n0.500000 0.500000 0.750000 Ca\n0.235642 0.761199 0.000000 Al\n0.238801 0.764359 0.500000 Al\n0.761198 0.235641 0.500000 Al\n0.764358 0.238801 0.000000 Al\n0.000000 0.500000 0.173268 Se\n0.191362 0.346923 0.500000 Se\n0.346922 0.191362 0.000000 Se\n0.653077 0.808638 0.000000 Se\n0.499999 -0.000000 0.326732 Se\n0.499999 -0.000000 0.673268 Se\n0.808637 0.653077 0.500000 Se\n0.000000 0.500000 0.826732 Se\n",
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],
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"formula_full": "Ca2 Al4 Se8",
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"spacegroup": 66
}
]
}