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{
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"results": [
{
"id": "jvasp-49950",
"created_at": "2022-09-04T14:35:55.501000Z",
"updated_at": "2022-09-04T14:35:55.501033Z",
"structure_string": "Na8 Sn4 O12\n1.0\n5.674098 -0.006878 -0.002438\n-1.836660 5.368590 -0.000273\n-1.914582 -2.679171 9.634586\nNa Sn O\n8 4 12\ndirect\n0.503826 0.006562 0.008730 Na\n0.576775 0.579518 0.154666 Na\n0.671279 0.174002 0.343660 Na\n0.744217 0.746924 0.489580 Na\n0.253828 0.256539 0.508741 Na\n0.826816 0.329479 0.654667 Na\n0.421302 0.424005 0.843662 Na\n0.994269 0.496976 0.989586 Na\n0.333326 0.836044 0.667751 Sn\n0.914730 0.917447 0.830563 Sn\n0.083319 0.086043 0.167752 Sn\n0.164728 0.667453 0.330566 Sn\n0.209116 0.211839 0.999159 O\n0.873490 0.337392 0.181954 O\n0.307363 0.848909 0.181958 O\n0.374558 0.416104 0.316362 O\n0.940695 0.904594 0.316365 O\n0.038936 0.541655 0.499160 O\n0.459118 0.961835 0.499159 O\n0.096184 0.060087 0.681957 O\n0.584671 0.626215 0.681956 O\n0.151880 0.693420 0.816364 O\n0.663389 0.127287 0.816363 O\n0.788938 0.791656 0.999160 O\n",
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{
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"created_at": "2022-09-04T14:36:14.361253Z",
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"formula_full": "Li1 Ru1 F6",
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{
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"created_at": "2022-09-04T14:37:46.143578Z",
"updated_at": "2022-09-04T14:37:46.143593Z",
"structure_string": "Fe2 F4\n1.0\n4.889794 -0.000000 0.000000\n-0.000000 4.889794 0.000000\n0.000000 0.000000 3.067119\nFe F\n2 4\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.706086 0.706086 0.000000 F\n0.206087 0.793912 0.500000 F\n0.293913 0.293913 0.000000 F\n0.793912 0.206087 0.500000 F\n",
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"volume": 73.33507710674935,
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"formula_full": "Fe2 F4",
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{
"id": "jvasp-29947",
"created_at": "2022-09-04T14:38:35.860496Z",
"updated_at": "2022-09-04T14:38:35.860532Z",
"structure_string": "Sn4 P4 O16\n1.0\n5.504213 0.000000 0.146749\n0.000000 7.376189 0.000000\n-0.191924 0.000000 7.220381\nSn P O\n4 4 16\ndirect\n0.249962 0.749887 0.249827 Sn\n0.749962 0.750113 0.749827 Sn\n0.250038 0.249887 0.250173 Sn\n0.750038 0.250113 0.750173 Sn\n0.249997 0.500410 0.662266 P\n0.750003 0.499590 0.337734 P\n0.250003 0.000410 0.837733 P\n0.749997 0.999590 0.162267 P\n0.749929 0.176665 0.050263 O\n0.009583 0.500500 0.783030 O\n0.750054 0.822612 0.050040 O\n0.749945 0.322612 0.449960 O\n0.250071 0.823335 0.949738 O\n0.249946 0.177388 0.949960 O\n0.509582 0.999501 0.283030 O\n0.990417 0.499501 0.216970 O\n0.249930 0.323335 0.550262 O\n0.509611 0.499567 0.216974 O\n0.750070 0.676665 0.449738 O\n0.009611 0.000433 0.716974 O\n0.490389 0.500433 0.783026 O\n0.250055 0.677388 0.550040 O\n0.990389 0.999567 0.283026 O\n0.490418 0.000500 0.716970 O\n",
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{
"id": "jvasp-112927",
"created_at": "2022-09-04T14:38:45.316469Z",
"updated_at": "2022-09-04T14:38:45.316502Z",
"structure_string": "K4 Li8 Fe4 O12\n1.0\n6.057556 -0.000000 0.000000\n0.000000 6.527285 0.000000\n-0.000000 -0.000000 8.656725\nK Li Fe O\n4 8 4 12\ndirect\n0.750000 0.177363 0.500016 K\n0.250000 0.322637 0.000015 K\n0.750000 0.677362 -0.000015 K\n0.250000 0.822637 0.499985 K\n0.500050 0.000053 0.771878 Li\n0.999950 0.000053 0.771878 Li\n0.499950 0.499947 0.271878 Li\n0.000050 0.499947 0.271878 Li\n0.500050 0.500052 0.728123 Li\n0.999950 0.500052 0.728123 Li\n0.000050 0.999947 0.228122 Li\n0.499950 0.999947 0.228122 Li\n0.250000 0.813369 0.999987 Fe\n0.750000 0.686630 0.499987 Fe\n0.250000 0.313369 0.500014 Fe\n0.750000 0.186630 0.000013 Fe\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 -0.000000 O\n0.250000 0.158975 0.319780 O\n0.250000 0.158845 0.680175 O\n0.750000 0.341155 0.180175 O\n0.750000 0.341024 0.819780 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.250000 0.658975 0.180220 O\n0.250000 0.658844 0.819826 O\n0.750000 0.841155 0.319826 O\n0.750000 0.841024 0.680220 O\n",
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"density_atomic": 0.08180397297030662,
"volume": 342.281664121173,
"volume_molar": 7.3616727175169485,
"formula_full": "K4 Li8 Fe4 O12",
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"formula_anonymous": "ABC2D3",
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"spacegroup": 63
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{
"id": "jvasp-12313",
"created_at": "2022-09-04T14:38:16.310137Z",
"updated_at": "2022-09-04T14:38:16.310159Z",
"structure_string": "Na4 C2 O6\n1.0\n2.632406 -4.559462 -0.000000\n2.632406 4.559462 -0.000000\n0.000000 -0.000000 6.111238\nNa C O\n4 2 6\ndirect\n0.333334 0.666668 0.250000 Na\n0.666668 0.333334 0.750000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.250000 C\n0.333334 0.666668 0.750000 C\n0.382394 0.191197 0.250000 O\n0.617608 0.808804 0.750000 O\n0.191197 0.382394 0.750000 O\n0.808804 0.191197 0.250000 O\n0.808804 0.617608 0.250000 O\n0.191197 0.808804 0.750000 O\n",
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"formula_full": "Na4 C2 O6",
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"spacegroup": 194
},
{
"id": "jvasp-22918",
"created_at": "2022-09-04T14:37:30.494404Z",
"updated_at": "2022-09-04T14:37:30.494435Z",
"structure_string": "Th2 Co18 Si4\n1.0\n5.686965 -0.000000 2.593054\n2.843483 6.851425 1.296527\n0.001013 -0.000000 7.530499\nTh Co Si\n2 18 4\ndirect\n0.124999 0.750000 0.250000 Th\n0.875000 0.250000 0.750000 Th\n0.375000 0.250000 0.750000 Co\n0.690400 0.668873 0.581939 Co\n0.058789 0.168872 0.081939 Co\n0.309600 0.331128 0.418061 Co\n0.640728 0.418061 0.168872 Co\n0.227661 0.081939 0.331128 Co\n0.941211 0.418061 0.331127 Co\n0.772339 0.168872 0.418061 Co\n0.359272 0.331128 0.081939 Co\n0.690401 0.081939 0.168872 Co\n0.941211 0.831128 0.918061 Co\n0.359272 0.581939 0.831128 Co\n0.772338 0.918062 0.668872 Co\n0.058788 0.581939 0.668873 Co\n0.227660 0.831128 0.581939 Co\n0.640727 0.668873 0.918061 Co\n0.625000 0.750000 0.250000 Co\n0.309599 0.918062 0.831128 Co\n0.500000 0.000000 -0.000000 Si\n-0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n",
"nsites": 24,
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"elements": [
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],
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{
"id": "jvasp-9554",
"created_at": "2022-09-04T14:37:08.039386Z",
"updated_at": "2022-09-04T14:37:08.039403Z",
"structure_string": "Ca4 Ti4 O10\n1.0\n0.000000 5.294483 -0.001358\n3.966058 0.000000 0.000000\n0.000000 -0.002648 -10.479811\nCa Ti O\n4 4 10\ndirect\n0.771334 0.500000 0.117470 Ca\n0.228668 0.500000 0.882531 Ca\n0.271338 0.500000 0.382534 Ca\n0.728656 0.500000 0.617467 Ca\n0.776663 0.000000 0.371902 Ti\n0.223335 0.000000 0.628099 Ti\n0.723339 0.000000 0.871899 Ti\n0.276662 0.000000 0.128101 Ti\n0.788620 0.500000 0.384846 O\n0.111386 0.000000 0.291191 O\n0.288621 0.500000 0.115160 O\n0.711387 0.500000 0.884840 O\n0.499996 0.000000 0.499999 O\n0.388608 0.000000 0.791195 O\n0.888607 0.000000 0.708805 O\n-0.000001 0.000000 0.000001 O\n0.611388 0.000000 0.208807 O\n0.211384 0.500000 0.615155 O\n",
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"volume": 220.05746097302944,
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"formula_full": "Ca4 Ti4 O10",
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"spacegroup": 55
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{
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"created_at": "2022-09-04T14:35:42.586884Z",
"updated_at": "2022-09-04T14:35:42.586918Z",
"structure_string": "Li4 Mn1 Be1\n1.0\n-0.000000 3.322480 3.322480\n3.322480 -0.000000 3.322480\n3.322480 3.322480 -0.000000\nLi Mn Be\n4 1 1\ndirect\n0.125093 0.624969 0.624969 Li\n0.624969 0.624969 0.624969 Li\n0.624969 0.125093 0.624969 Li\n0.624969 0.624969 0.125093 Li\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Be\n",
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{
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"structure_string": "Be1 Fe1 Rh2\n1.0\n-1.760671 1.760671 3.943812\n1.760671 -1.760671 3.943812\n1.760671 1.760671 -3.943812\nBe Fe Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.750000 0.250000 0.500000 Fe\n0.000000 0.000000 0.000000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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{
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"volume": 146.70873198114006,
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"formula_full": "Er2 Nb2 O8",
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"spacegroup": 13
},
{
"id": "jvasp-67415",
"created_at": "2022-09-04T14:35:49.533305Z",
"updated_at": "2022-09-04T14:35:49.533330Z",
"structure_string": "Ti1 Be2 Pt1\n1.0\n2.829084 -0.000000 -0.000000\n-0.000000 2.829084 -0.000000\n0.000000 0.000000 6.110117\nTi Be Pt\n1 2 1\ndirect\n0.499999 0.499999 0.500000 Ti\n0.000000 0.000000 0.782505 Be\n0.000000 0.000000 0.217495 Be\n0.499999 0.499999 0.000000 Pt\n",
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}
]
}