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{
"id": "jvasp-3909",
"created_at": "2022-09-04T14:36:12.956463Z",
"updated_at": "2022-09-04T14:36:12.956491Z",
"structure_string": "Sn1 Sb2 Te4\n1.0\n4.308681 -0.022652 13.490596\n2.083199 3.771674 13.490596\n-0.038622 -0.022652 14.161900\nSn Sb Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Sn\n0.426715 0.426715 0.426715 Sb\n0.573286 0.573285 0.573285 Sb\n0.133467 0.133467 0.133467 Te\n0.866534 0.866533 0.866533 Te\n0.287668 0.287668 0.287667 Te\n0.712333 0.712333 0.712333 Te\n",
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{
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"structure_string": "Sm2 Se2\n1.0\n2.128412 -3.686518 0.000000\n2.128412 3.686518 0.000000\n0.000000 -0.000000 8.501033\nSm Se\n2 2\ndirect\n0.666667 0.333332 0.522498 Sm\n0.333332 0.666667 0.022498 Sm\n0.666667 0.333332 0.852502 Se\n0.333332 0.666667 0.352502 Se\n",
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{
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"structure_string": "Sm2 Se2\n1.0\n2.128412 -3.686518 0.000000\n2.128412 3.686518 0.000000\n0.000000 -0.000000 8.501033\nSm Se\n2 2\ndirect\n0.666667 0.333332 0.522498 Sm\n0.333332 0.666667 0.022498 Sm\n0.666667 0.333332 0.852502 Se\n0.333332 0.666667 0.352502 Se\n",
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{
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"created_at": "2022-09-04T14:38:51.739465Z",
"updated_at": "2022-09-04T14:38:51.739485Z",
"structure_string": "Mg2 Se1\n1.0\n3.701011 0.000000 -1.017491\n0.000000 4.139360 0.000000\n-1.855532 0.000000 7.041039\nMg Se\n2 1\ndirect\n-0.297366 0.000000 -0.143218 Mg\n0.230715 0.000000 0.409890 Mg\n0.466651 0.000000 0.133328 Se\n",
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"volume": 100.05236989166303,
"volume_molar": 20.08431516197269,
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{
"id": "jvasp-74998",
"created_at": "2022-09-04T14:35:45.646631Z",
"updated_at": "2022-09-04T14:35:45.646658Z",
"structure_string": "K2 Ti1 Be1\n1.0\n6.613821 -0.000000 -0.000000\n0.000000 6.613821 -0.000000\n0.000000 0.000000 3.049661\nK Ti Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
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{
"id": "jvasp-121127",
"created_at": "2022-09-04T14:38:54.031050Z",
"updated_at": "2022-09-04T14:38:54.031088Z",
"structure_string": "I2 F1\n1.0\n3.673507 0.000000 0.000000\n0.000000 3.665856 0.000000\n0.000000 0.000000 7.429417\nI F\n2 1\ndirect\n-0.200611 0.000000 0.685558 I\n-0.200611 0.000000 0.314442 I\n0.801222 0.000000 0.000000 F\n",
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{
"id": "jvasp-116984",
"created_at": "2022-09-04T14:38:47.680640Z",
"updated_at": "2022-09-04T14:38:47.680673Z",
"structure_string": "La10 Sb2 Pb6\n1.0\n9.926041 0.000000 0.000000\n-4.963020 8.596204 0.000000\n0.000000 0.000000 7.034899\nLa Sb Pb\n10 2 6\ndirect\n0.264565 -0.000000 0.250000 La\n0.333333 0.666666 0.500000 La\n0.666667 0.333333 -0.000000 La\n0.333333 0.666666 -0.000000 La\n0.264565 0.264565 0.750000 La\n0.666667 0.333333 0.500000 La\n-0.000000 0.735435 0.750000 La\n-0.000000 0.264565 0.250000 La\n0.735435 -0.000000 0.750000 La\n0.735435 0.735435 0.250000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.388515 0.388515 0.250000 Pb\n0.611485 -0.000000 0.250000 Pb\n0.388515 -0.000000 0.750000 Pb\n-0.000000 0.611485 0.250000 Pb\n-0.000000 0.388515 0.750000 Pb\n0.611485 0.611485 0.750000 Pb\n",
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"volume": 600.2617150521326,
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{
"id": "jvasp-61272",
"created_at": "2022-09-04T14:36:02.204462Z",
"updated_at": "2022-09-04T14:36:02.204487Z",
"structure_string": "Te4 Au4 I4\n1.0\n0.000000 7.411260 -0.195766\n7.735952 0.000000 0.000000\n0.000000 -2.140331 -6.923136\nTe Au I\n4 4 4\ndirect\n-0.014410 0.862192 0.681301 Te\n0.514411 0.362192 0.318699 Te\n0.014411 0.137807 0.318699 Te\n0.485590 0.637807 0.681302 Te\n0.230297 0.863829 0.468441 Au\n0.269704 0.363829 0.531560 Au\n0.769704 0.136171 0.531560 Au\n0.730297 0.636171 0.468441 Au\n0.389403 0.910760 0.174367 I\n0.110598 0.410760 0.825634 I\n0.610598 0.089240 0.825634 I\n0.889403 0.589240 0.174367 I\n",
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"density": 7.49373181705995,
"density_atomic": 0.029987510119527935,
"volume": 400.1666011005553,
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"formula_full": "Te4 Au4 I4",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-24769",
"created_at": "2022-09-04T14:38:03.485224Z",
"updated_at": "2022-09-04T14:38:03.485248Z",
"structure_string": "Rb8 As8 Se16\n1.0\n9.269175 0.037429 -1.769985\n-0.781205 9.131123 -3.897980\n0.077229 -0.042560 12.607045\nRb As Se\n8 8 16\ndirect\n0.336614 0.279091 0.404782 Rb\n0.663385 0.720909 0.595217 Rb\n0.836614 0.125693 0.404782 Rb\n0.749999 0.977005 -0.000000 Rb\n0.250000 0.022994 -0.000000 Rb\n0.749999 0.533314 -0.000000 Rb\n0.250000 0.466686 -0.000000 Rb\n0.163386 0.874307 0.595217 Rb\n0.048736 0.507181 0.300990 As\n0.151552 0.814422 0.213696 As\n0.348447 0.600726 0.786303 As\n0.848447 0.185578 0.786303 As\n0.651552 0.399274 0.213696 As\n0.451264 0.206190 0.699009 As\n0.548735 0.793810 0.300990 As\n0.951264 0.492819 0.699009 As\n0.939583 0.968998 0.792071 Se\n0.957802 0.743439 0.296491 Se\n0.542196 0.446949 0.703508 Se\n0.042197 0.256560 0.703508 Se\n0.457803 0.553051 0.296491 Se\n0.991567 0.328914 0.108025 Se\n0.508432 0.220888 0.891974 Se\n0.008432 0.671086 0.891974 Se\n0.491567 0.779112 0.108025 Se\n0.652590 0.081375 0.606471 Se\n0.847409 0.474903 0.393528 Se\n0.060416 0.031002 0.207928 Se\n0.347409 0.918625 0.393528 Se\n0.439584 0.823073 0.792071 Se\n0.560416 0.176927 0.207928 Se\n0.152590 0.525097 0.606471 Se\n",
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{
"id": "jvasp-28868",
"created_at": "2022-09-04T14:37:47.448695Z",
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"structure_string": "Te4 Mo1 W3 Se4\n1.0\n3.441044 -0.000000 0.000000\n-1.720523 2.980022 0.000004\n0.000000 0.000054 39.016206\nTe Mo W Se\n4 1 3 4\ndirect\n0.333353 0.666707 0.329417 Te\n0.333353 0.666707 0.705263 Te\n0.333353 0.666708 0.234183 Te\n0.333359 0.666718 0.609645 Te\n0.666688 0.333377 0.281798 Mo\n0.333309 0.666617 0.093927 W\n0.333311 0.666622 0.469665 W\n0.666690 0.333382 0.657534 W\n0.666644 0.333287 0.051980 Se\n0.666646 0.333292 0.427573 Se\n0.666641 0.333282 0.136010 Se\n0.666646 0.333290 0.511754 Se\n",
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{
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"created_at": "2022-09-04T14:38:14.339175Z",
"updated_at": "2022-09-04T14:38:14.339209Z",
"structure_string": "Sr1 Tl1\n1.0\n4.055032 0.000000 0.000000\n-0.000000 4.055032 -0.000000\n0.000000 -0.000000 4.055032\nSr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n",
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{
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"created_at": "2022-09-04T14:35:59.693754Z",
"updated_at": "2022-09-04T14:35:59.693769Z",
"structure_string": "K1 Ca2 Be1\n1.0\n-2.488691 2.488691 5.382801\n2.488691 -2.488691 5.382801\n2.488691 2.488691 -5.382801\nK Ca Be\n1 2 1\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Ca\n0.750000 0.250000 0.500000 Be\n",
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