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{
"id": "jvasp-89134",
"created_at": "2022-09-04T14:35:50.400905Z",
"updated_at": "2022-09-04T14:35:50.400931Z",
"structure_string": "Tl4 Cd4 I12\n1.0\n4.436568 0.000000 0.000000\n-0.000000 10.134274 0.000000\n0.000000 0.000000 16.361685\nTl Cd I\n4 4 12\ndirect\n0.750000 0.559515 0.175758 Tl\n0.750000 0.059515 0.324242 Tl\n0.250000 0.940484 0.675758 Tl\n0.250000 0.440484 0.824242 Tl\n0.250000 0.667405 0.443434 Cd\n0.750000 0.832595 0.943435 Cd\n0.250000 0.167405 0.056566 Cd\n0.750000 0.332595 0.556566 Cd\n0.250000 0.023716 0.892133 I\n0.750000 0.476284 0.392133 I\n0.250000 0.523716 0.607867 I\n0.750000 0.838483 0.510191 I\n0.750000 0.338483 0.989809 I\n0.250000 0.661516 0.010191 I\n0.750000 0.708311 0.783626 I\n0.250000 0.291688 0.216374 I\n0.750000 0.208312 0.716374 I\n0.250000 0.791688 0.283626 I\n0.750000 0.976283 0.107867 I\n0.250000 0.161516 0.489809 I\n",
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{
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"created_at": "2022-09-04T14:36:08.944077Z",
"updated_at": "2022-09-04T14:36:08.944098Z",
"structure_string": "K1 In2 Ga2\n1.0\n4.454075 0.010803 -5.085820\n-0.621617 4.410499 -5.085820\n-0.009364 -0.010803 6.760493\nK In Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750001 0.250000 0.500001 In\n0.250000 0.750000 0.500000 In\n0.390996 0.390996 0.000000 Ga\n0.609004 0.609004 0.000000 Ga\n",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
"updated_at": "2022-09-04T14:35:49.973068Z",
"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
"nsites": 8,
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"density": 4.362843180601914,
"density_atomic": 0.07549968356606085,
"volume": 105.96070900085489,
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"formula_full": "Cr1 Cd1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-64724",
"created_at": "2022-09-04T14:35:47.989652Z",
"updated_at": "2022-09-04T14:35:47.989677Z",
"structure_string": "Ba4 Ga1 Cu1\n1.0\n0.000000 4.961917 4.961917\n4.961917 0.000000 4.961917\n4.961917 4.961917 0.000000\nBa Ga Cu\n4 1 1\ndirect\n0.124271 0.625244 0.625244 Ba\n0.625244 0.625244 0.625244 Ba\n0.625244 0.124271 0.625244 Ba\n0.625244 0.625244 0.124271 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
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"elements": [
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"Ga",
"Cu"
],
"chemical_system": "Ba-Cu-Ga",
"density": 4.638977498287351,
"density_atomic": 0.024556856284474893,
"volume": 244.3309489819861,
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"formula_full": "Ba4 Ga1 Cu1",
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{
"id": "jvasp-91278",
"created_at": "2022-09-04T14:35:49.941979Z",
"updated_at": "2022-09-04T14:35:49.941994Z",
"structure_string": "Mg1 Pb1 F6\n1.0\n4.638572 0.070780 3.203243\n1.718157 4.309211 3.203243\n0.102724 0.070780 5.636184\nMg Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Pb\n0.388870 0.095904 0.759042 F\n0.095904 0.759041 0.388870 F\n0.240958 0.611129 0.904095 F\n0.904095 0.240958 0.611129 F\n0.611129 0.904096 0.240958 F\n0.759042 0.388871 0.095904 F\n",
"nsites": 8,
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"elements": [
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"density": 5.219465028315315,
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"formula_full": "Mg1 Pb1 F6",
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{
"id": "jvasp-85447",
"created_at": "2022-09-04T14:35:45.281690Z",
"updated_at": "2022-09-04T14:35:45.281723Z",
"structure_string": "Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n",
"nsites": 8,
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"formula_full": "Ba1 Ni1 F6",
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{
"id": "jvasp-1357",
"created_at": "2022-09-04T14:35:53.714481Z",
"updated_at": "2022-09-04T14:35:53.714507Z",
"structure_string": "Sr1 Te1\n1.0\n4.087701 -0.000000 2.360036\n1.362567 3.853921 2.360036\n-0.000000 -0.000000 4.720070\nSr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Te\n",
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"elements": [
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"density": 4.806194652253314,
"density_atomic": 0.026896738895856327,
"volume": 74.35845690230191,
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"formula_full": "Sr1 Te1",
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"spacegroup": 225
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{
"id": "jvasp-91877",
"created_at": "2022-09-04T14:35:57.488990Z",
"updated_at": "2022-09-04T14:35:57.489009Z",
"structure_string": "Ca1 Mg7\n1.0\n6.650862 -0.000000 -0.000000\n-3.325432 5.759815 -0.000000\n-0.000000 0.000000 5.215014\nCa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ca\n0.173510 0.836755 0.250000 Mg\n0.663246 0.326491 0.250000 Mg\n0.663246 0.836755 0.250000 Mg\n0.337817 0.162183 0.749999 Mg\n0.337817 0.675635 0.749999 Mg\n0.824365 0.162183 0.749999 Mg\n0.833333 0.666668 0.749999 Mg\n",
"nsites": 8,
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"formula_full": "Ca1 Mg7",
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},
{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
"nsites": 10,
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"elements": [
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"spacegroup": 127
},
{
"id": "jvasp-91887",
"created_at": "2022-09-04T14:35:57.112745Z",
"updated_at": "2022-09-04T14:35:57.112769Z",
"structure_string": "Mg7 Ni1\n1.0\n6.180831 -0.000000 -0.000000\n-3.090416 5.352756 0.000000\n-0.000000 -0.000000 4.852645\nMg Ni\n7 1\ndirect\n0.166241 0.833121 0.250000 Mg\n0.666879 0.333758 0.250000 Mg\n0.666879 0.833121 0.250000 Mg\n0.324322 0.175678 0.750001 Mg\n0.324322 0.648644 0.750001 Mg\n0.851356 0.175678 0.750001 Mg\n0.833333 0.666667 0.750001 Mg\n0.166667 0.333333 0.250000 Ni\n",
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{
"id": "jvasp-61646",
"created_at": "2022-09-04T14:35:41.293429Z",
"updated_at": "2022-09-04T14:35:41.293456Z",
"structure_string": "K3 Al1 F6\n1.0\n0.000000 4.297608 4.297608\n4.297608 -0.000000 4.297608\n4.297608 4.297608 -0.000000\nK Al F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Al\n0.287435 0.712565 0.712565 F\n0.712565 0.287435 0.287435 F\n0.712565 0.287435 0.712565 F\n0.287435 0.712565 0.287435 F\n0.287435 0.287435 0.712565 F\n0.712565 0.712565 0.287435 F\n",
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"volume": 158.7487791115588,
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"formula_full": "K3 Al1 F6",
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{
"id": "jvasp-8100",
"created_at": "2022-09-04T14:37:03.037070Z",
"updated_at": "2022-09-04T14:37:03.037100Z",
"structure_string": "Cs1 Pb1 F3\n1.0\n4.851008 0.000000 -0.000000\n-0.000000 4.851008 -0.000000\n-0.000000 -0.000000 4.851008\nCs Pb F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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}