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{
"id": "jvasp-20064",
"created_at": "2022-09-04T14:35:49.254404Z",
"updated_at": "2022-09-04T14:35:49.254438Z",
"structure_string": "La1 Sb1\n1.0\n3.997844 0.000000 2.308156\n1.332614 3.769204 2.308156\n0.000000 0.000000 4.616313\nLa Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.499999 0.499999 0.500001 Sb\n",
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{
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"structure_string": "Ba1 Fe2 S4\n1.0\n4.592651 0.170508 2.427811\n2.135000 5.620024 1.131933\n-0.290983 0.082239 6.110051\nBa Fe S\n1 2 4\ndirect\n0.750000 -0.000047 0.000047 Ba\n0.250000 0.499940 0.500060 Fe\n0.750000 0.500058 0.499942 Fe\n0.154059 0.500020 0.192120 S\n0.345941 0.807880 0.499979 S\n0.654069 0.192133 0.499983 S\n0.845931 0.500016 0.807867 S\n",
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{
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"structure_string": "Be1 Cd2 Ir1\n1.0\n3.932539 0.000000 -0.000000\n-0.000000 3.932539 0.000000\n-0.000000 0.000000 4.131124\nBe Cd Ir\n1 2 1\ndirect\n0.000000 0.000000 0.499999 Be\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.499999 Ir\n",
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{
"id": "jvasp-98880",
"created_at": "2022-09-04T14:35:49.238195Z",
"updated_at": "2022-09-04T14:35:49.238213Z",
"structure_string": "Ba4 Al4 H20\n1.0\n9.207352 0.000000 0.000000\n0.000000 7.042981 0.000000\n0.000000 0.000000 5.094183\nBa Al H\n4 4 20\ndirect\n0.186008 0.345454 0.253997 Ba\n0.813991 0.654545 0.753997 Ba\n0.313991 0.845454 0.753997 Ba\n0.686008 0.154545 0.253997 Ba\n0.540951 0.654210 0.228981 Al\n0.459049 0.345790 0.728981 Al\n0.959048 0.154210 0.728981 Al\n0.040951 0.845790 0.228981 Al\n0.578307 0.788084 0.501913 H\n0.859346 0.803876 0.234459 H\n0.140654 0.196124 0.734459 H\n0.793695 0.043971 0.714497 H\n0.359346 0.696124 0.234459 H\n0.206305 0.956029 0.214497 H\n0.421693 0.211915 0.001913 H\n0.640654 0.303876 0.734459 H\n0.921693 0.288084 0.001913 H\n0.916271 0.343605 0.523827 H\n0.583729 0.843605 0.023828 H\n0.416271 0.156395 0.523827 H\n0.293695 0.456029 0.714497 H\n0.083729 0.656395 0.023828 H\n0.007157 0.948692 0.909324 H\n0.992843 0.051307 0.409324 H\n0.492843 0.448692 0.409324 H\n0.507157 0.551307 0.909324 H\n0.078307 0.711915 0.501913 H\n0.706305 0.543971 0.214497 H\n",
"nsites": 28,
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"volume": 330.34353030856425,
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"formula_full": "Ba4 Al4 H20",
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{
"id": "jvasp-18517",
"created_at": "2022-09-04T14:35:49.235762Z",
"updated_at": "2022-09-04T14:35:49.235782Z",
"structure_string": "Ca4 Au2 N2\n1.0\n3.457088 0.000000 -0.685399\n0.000000 4.934211 -0.000000\n0.033336 -0.000000 9.229461\nCa Au N\n4 2 2\ndirect\n0.603656 0.250000 0.207311 Ca\n0.396346 0.750000 0.792689 Ca\n0.784099 0.250000 0.568196 Ca\n0.215902 0.750000 0.431804 Ca\n0.042877 0.750000 0.085753 Au\n0.957125 0.250000 0.914247 Au\n0.806840 0.750000 0.613677 N\n0.193162 0.250000 0.386323 N\n",
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{
"id": "jvasp-68034",
"created_at": "2022-09-04T14:35:49.232846Z",
"updated_at": "2022-09-04T14:35:49.232870Z",
"structure_string": "Be1 Mo2 Br1\n1.0\n-1.977076 1.977076 3.917573\n1.977076 -1.977076 3.917573\n1.977076 1.977076 -3.917573\nBe Mo Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750001 0.500001 Mo\n0.750001 0.250000 0.500001 Br\n",
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{
"id": "jvasp-5485",
"created_at": "2022-09-04T14:35:49.231542Z",
"updated_at": "2022-09-04T14:35:49.231570Z",
"structure_string": "Cd2 I4\n1.0\n2.142630 -3.711143 0.000000\n2.142630 3.711143 0.000000\n0.000000 0.000000 13.750837\nCd I\n2 4\ndirect\n0.666667 0.333333 0.500062 Cd\n0.333333 0.666667 0.000062 Cd\n0.000000 0.000000 0.373856 I\n0.000000 0.000000 0.873857 I\n0.333333 0.666667 0.626082 I\n0.666667 0.333333 0.126081 I\n",
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{
"id": "jvasp-95014",
"created_at": "2022-09-04T14:35:49.230943Z",
"updated_at": "2022-09-04T14:35:49.230967Z",
"structure_string": "Ga2 Ni1 S4\n1.0\n-1.816250 -3.145760 -0.000071\n-1.816146 3.145701 -0.000027\n-0.000328 -0.000086 -12.048910\nGa Ni S\n2 1 4\ndirect\n0.333337 0.666667 0.217459 Ga\n0.666666 0.333334 0.782541 Ga\n0.000001 -0.000000 0.500000 Ni\n0.333337 0.666668 0.869945 S\n0.666666 0.333333 0.130055 S\n0.333310 0.666654 0.402958 S\n0.666693 0.333347 0.597042 S\n",
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{
"id": "jvasp-94083",
"created_at": "2022-09-04T14:35:49.230096Z",
"updated_at": "2022-09-04T14:35:49.230117Z",
"structure_string": "Ba1 Mg6 V1\n1.0\n6.604689 0.000411 0.000000\n-3.301988 5.720033 0.000000\n0.000000 0.000000 5.161138\nBa Mg V\n1 6 1\ndirect\n0.416670 0.083330 0.750000 Ba\n0.062425 0.906123 0.250000 Mg\n0.593876 0.437574 0.250000 Mg\n0.593840 0.906159 0.250000 Mg\n0.387371 0.568696 0.750000 Mg\n0.931303 0.112628 0.750000 Mg\n0.931246 0.568753 0.750000 Mg\n0.083265 0.416735 0.250000 V\n",
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{
"id": "jvasp-63065",
"created_at": "2022-09-04T14:35:49.228952Z",
"updated_at": "2022-09-04T14:35:49.228976Z",
"structure_string": "Dy2 B8 Rh8\n1.0\n5.327991 0.000000 -0.000000\n0.000000 5.327991 0.000000\n-0.000000 0.000000 7.472333\nDy B Rh\n2 8 8\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.667853 0.000000 0.648330 B\n0.500000 0.167854 0.148330 B\n0.500000 0.832146 0.148330 B\n0.332146 0.000000 0.648330 B\n0.167854 0.500000 0.851670 B\n0.000000 0.667853 0.351670 B\n0.000000 0.332146 0.351670 B\n0.832146 0.500000 0.851670 B\n0.751508 0.000000 0.354296 Rh\n0.000000 0.751508 0.645703 Rh\n0.000000 0.248491 0.645703 Rh\n0.748491 0.500000 0.145704 Rh\n0.251509 0.500000 0.145704 Rh\n0.500000 0.251509 0.854296 Rh\n0.500000 0.748491 0.854296 Rh\n0.248491 0.000000 0.354296 Rh\n",
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{
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"created_at": "2022-09-04T14:35:49.225524Z",
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"structure_string": "Be1 Cd1 Ge2\n1.0\n2.935894 0.000000 -0.000000\n0.000000 2.935894 0.000000\n0.000000 0.000000 8.239957\nBe Cd Ge\n1 1 2\ndirect\n-0.000000 0.000000 0.486357 Be\n0.499999 0.499999 0.709573 Cd\n0.000000 0.000000 -0.000652 Ge\n0.499999 0.499999 0.304722 Ge\n",
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{
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"created_at": "2022-09-04T14:35:49.225502Z",
"updated_at": "2022-09-04T14:35:49.225522Z",
"structure_string": "Li4 Al4 Si8 O24\n1.0\n0.000000 5.188713 0.023598\n8.498787 0.000000 0.000000\n0.000000 -1.982730 -8.933243\nLi Al Si O\n4 4 8 24\ndirect\n0.022010 0.012538 0.252675 Li\n0.477990 0.512538 0.747324 Li\n0.977989 0.987463 0.747324 Li\n0.522010 0.487463 0.252675 Li\n0.026284 0.654716 0.249924 Al\n0.473715 0.154716 0.750075 Al\n0.973715 0.345284 0.750075 Al\n0.526284 0.845284 0.249924 Al\n0.813278 0.658158 0.549859 Si\n0.686721 0.158157 0.450141 Si\n0.313278 0.841843 0.549859 Si\n0.186721 0.341843 0.450141 Si\n0.228902 0.657193 0.952377 Si\n0.728901 0.842807 0.952377 Si\n0.771098 0.342807 0.047623 Si\n0.271098 0.157193 0.047623 Si\n0.248725 0.830347 0.363411 O\n0.376263 0.211441 0.391891 O\n0.123737 0.711441 0.608108 O\n0.769082 0.491530 0.624452 O\n0.730916 0.991530 0.375547 O\n0.230917 0.508470 0.375547 O\n0.269083 0.008470 0.624453 O\n0.748724 0.669653 0.363411 O\n0.751275 0.169653 0.636589 O\n0.251275 0.330347 0.636589 O\n0.012517 0.217378 0.109733 O\n0.197622 0.170261 0.861725 O\n0.987483 0.782623 0.890267 O\n0.512516 0.282623 0.109733 O\n0.329783 0.984738 0.117761 O\n0.170216 0.484738 0.882239 O\n0.670216 0.015262 0.882239 O\n0.829783 0.515262 0.117761 O\n0.876262 0.288560 0.391891 O\n0.302377 0.670261 0.138275 O\n0.802377 0.829740 0.138275 O\n0.697622 0.329740 0.861725 O\n0.487483 0.717378 0.890267 O\n0.623736 0.788560 0.608108 O\n",
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}