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{
"id": "jvasp-91876",
"created_at": "2022-09-04T14:35:52.696926Z",
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"structure_string": "Li1 Mg7\n1.0\n6.362340 0.000000 -0.000000\n-3.181170 5.509948 0.000000\n-0.000000 0.000000 5.098930\nLi Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Li\n0.167677 0.833838 0.250000 Mg\n0.666162 0.332323 0.250000 Mg\n0.666162 0.833838 0.250000 Mg\n0.330866 0.169134 0.750000 Mg\n0.330866 0.661734 0.750000 Mg\n0.838267 0.169134 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n",
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{
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"structure_string": "K1 Na2 Ga1 F6\n1.0\n5.311104 -0.000000 3.066367\n1.770368 5.007356 3.066367\n0.000000 0.000000 6.132735\nK Na Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.750000 Na\n0.000000 0.000000 0.000000 Ga\n0.220034 0.220034 0.779965 F\n0.220034 0.779966 0.779965 F\n0.779965 0.779966 0.220035 F\n0.220034 0.779966 0.220034 F\n0.779965 0.220034 0.779966 F\n0.779965 0.220034 0.220035 F\n",
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"structure_string": "K1 Ni1 F3\n1.0\n3.990140 -0.000000 0.000000\n-0.000000 3.990140 0.000000\n0.000000 -0.000000 3.990140\nK Ni F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
"id": "jvasp-105679",
"created_at": "2022-09-04T14:36:03.103722Z",
"updated_at": "2022-09-04T14:36:03.103746Z",
"structure_string": "Rb2 In1 Sb1 Br6\n1.0\n7.093599 0.000000 4.095491\n2.364533 6.687910 4.095491\n0.000000 0.000000 8.190984\nRb In Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.757258 0.242742 0.242742 Br\n0.242742 0.242742 0.757257 Br\n0.242742 0.757258 0.757257 Br\n0.242742 0.757258 0.242742 Br\n0.757258 0.242742 0.757257 Br\n0.757258 0.757258 0.242742 Br\n",
"nsites": 10,
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"volume": 388.5913526155182,
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"formula_full": "Rb2 In1 Sb1 Br6",
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{
"id": "jvasp-69256",
"created_at": "2022-09-04T14:36:03.108578Z",
"updated_at": "2022-09-04T14:36:03.108605Z",
"structure_string": "Ba2 Cd1 Sb1\n1.0\n0.000000 4.208159 4.208159\n4.208159 0.000000 4.208159\n4.208159 4.208159 -0.000000\nBa Cd Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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],
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{
"id": "jvasp-91956",
"created_at": "2022-09-04T14:36:03.047685Z",
"updated_at": "2022-09-04T14:36:03.047715Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
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{
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"created_at": "2022-09-04T14:35:52.785105Z",
"updated_at": "2022-09-04T14:35:52.785126Z",
"structure_string": "Na1 Ca1 La1 F6\n1.0\n3.760563 -0.000000 0.000000\n0.000000 5.262989 -3.038588\n-0.000000 0.000000 6.077176\nNa Ca La F\n1 1 1 6\ndirect\n0.979805 0.000000 -0.000000 Na\n0.743462 0.333333 0.666667 Ca\n0.260130 0.666667 0.333333 La\n0.248700 0.086721 0.384054 F\n0.248700 0.615946 0.702667 F\n0.248700 0.297333 0.913280 F\n0.756834 0.919996 0.611997 F\n0.756834 0.388003 0.307999 F\n0.756834 0.692001 0.080004 F\n",
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"density_atomic": 0.07482648840713706,
"volume": 120.27826230505782,
"volume_molar": 8.048140288547335,
"formula_full": "Na1 Ca1 La1 F6",
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"spacegroup": 143
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{
"id": "jvasp-106134",
"created_at": "2022-09-04T14:35:52.804339Z",
"updated_at": "2022-09-04T14:35:52.804357Z",
"structure_string": "Ba1 Cu1 Ge1\n1.0\n4.287117 -0.000000 0.000000\n-2.143558 3.712753 -0.000000\n-0.000000 -0.000000 4.957791\nBa Cu Ge\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Ge\n",
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{
"id": "jvasp-91965",
"created_at": "2022-09-04T14:35:49.726652Z",
"updated_at": "2022-09-04T14:35:49.726676Z",
"structure_string": "Ca1 Pb1 F6\n1.0\n5.326751 0.000000 3.075401\n1.775584 5.022109 3.075401\n0.000000 0.000000 6.150802\nCa Pb F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pb\n0.240833 0.759167 0.759167 F\n0.240833 0.759167 0.240833 F\n0.759167 0.240833 0.240833 F\n0.759166 0.759167 0.240833 F\n0.240833 0.240833 0.759167 F\n0.759167 0.240833 0.759167 F\n",
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{
"id": "jvasp-93194",
"created_at": "2022-09-04T14:35:52.819975Z",
"updated_at": "2022-09-04T14:35:52.819999Z",
"structure_string": "K1 Mg6 Nb1\n1.0\n6.358791 -1.703660 0.000000\n-4.654808 8.062364 0.000000\n0.000000 0.000000 4.523015\nK Mg Nb\n1 6 1\ndirect\n0.249965 0.374982 0.250000 K\n0.750017 0.375046 0.250000 Mg\n0.750016 0.874970 0.250000 Mg\n0.250000 0.094245 0.749999 Mg\n0.250000 0.655756 0.749999 Mg\n0.688438 0.094219 0.749999 Mg\n0.811566 0.655783 0.749999 Mg\n0.249992 0.874996 0.250000 Nb\n",
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},
{
"id": "jvasp-69359",
"created_at": "2022-09-04T14:35:49.693742Z",
"updated_at": "2022-09-04T14:35:49.693767Z",
"structure_string": "Ba1 Na2 Ca1\n1.0\n4.423358 0.000000 0.000000\n-0.000000 4.419967 0.000000\n0.000000 0.000000 8.845214\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.723953 Na\n0.000000 0.000000 0.276047 Na\n0.500000 0.500000 0.500000 Ca\n",
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{
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"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
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