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{
"id": "jvasp-3771",
"created_at": "2022-09-04T14:35:50.750883Z",
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"structure_string": "Sn3 I6\n1.0\n4.473755 0.000000 0.000000\n-2.236878 7.142410 -0.276027\n0.000000 -0.038198 11.011911\nSn I\n3 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.265541 0.531082 0.307452 Sn\n0.734459 0.468918 0.692547 Sn\n0.078352 0.156705 0.730805 I\n0.921648 0.843295 0.269195 I\n0.361771 0.723542 0.561604 I\n0.638230 0.276458 0.438396 I\n0.351249 0.702498 0.921866 I\n0.648752 0.297502 0.078133 I\n",
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{
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{
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"structure_string": "Ba4 Zn1 Cd1\n1.0\n0.000000 5.093944 5.093944\n5.093944 0.000000 5.093944\n5.093944 5.093944 0.000000\nBa Zn Cd\n4 1 1\ndirect\n0.124974 0.625008 0.625008 Ba\n0.625008 0.625008 0.625008 Ba\n0.625008 0.124974 0.625008 Ba\n0.625008 0.625008 0.124974 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Cd\n",
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{
"id": "jvasp-93832",
"created_at": "2022-09-04T14:35:46.567895Z",
"updated_at": "2022-09-04T14:35:46.567924Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
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"volume": 123.39096732167064,
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"spacegroup": 186
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{
"id": "jvasp-65131",
"created_at": "2022-09-04T14:35:41.890638Z",
"updated_at": "2022-09-04T14:35:41.890657Z",
"structure_string": "Be1 Zn1 Cd4\n1.0\n0.000000 4.016365 4.016365\n4.016365 -0.000000 4.016365\n4.016365 4.016365 -0.000000\nBe Zn Cd\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124247 0.625252 0.625252 Cd\n0.625252 0.625252 0.625252 Cd\n0.625252 0.124247 0.625252 Cd\n0.625252 0.625252 0.124247 Cd\n",
"nsites": 6,
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"density": 6.715910304162178,
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{
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"created_at": "2022-09-04T14:35:45.323234Z",
"updated_at": "2022-09-04T14:35:45.323252Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n6.814391 0.739512 0.000000\n-2.766759 6.271191 0.000000\n0.000000 0.000000 4.880536\nRb Mg Ga\n1 6 1\ndirect\n0.122234 0.377766 0.250000 Rb\n0.200379 0.903740 0.250000 Mg\n0.596259 0.299621 0.250000 Mg\n0.691262 0.808737 0.250000 Mg\n0.399978 0.724853 0.750001 Mg\n0.775147 0.100021 0.750001 Mg\n0.861905 0.638095 0.750001 Mg\n0.352833 0.147166 0.750001 Ga\n",
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{
"id": "jvasp-94205",
"created_at": "2022-09-04T14:36:03.414502Z",
"updated_at": "2022-09-04T14:36:03.414526Z",
"structure_string": "Mg6 Cu1 Si1\n1.0\n6.038409 -0.167167 0.000000\n-3.163975 5.480167 0.000000\n0.000000 0.000000 4.787578\nMg Cu Si\n6 1 1\ndirect\n0.675480 0.336622 0.250000 Mg\n0.675480 0.838857 0.250000 Mg\n0.320578 0.167107 0.750000 Mg\n0.320578 0.653473 0.750000 Mg\n0.838992 0.169496 0.750000 Mg\n0.836556 0.668278 0.750000 Mg\n0.162004 0.331002 0.250000 Cu\n0.170329 0.835165 0.250000 Si\n",
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{
"id": "jvasp-86909",
"created_at": "2022-09-04T14:36:11.553636Z",
"updated_at": "2022-09-04T14:36:11.553665Z",
"structure_string": "Sr10 In6\n1.0\n7.870113 0.000000 -3.697611\n-1.737247 7.675979 -3.697611\n0.005210 0.006521 10.235394\nSr In\n10 6\ndirect\n0.028032 0.528032 0.707660 Sr\n0.320372 0.820373 0.292339 Sr\n0.971967 0.471968 0.292339 Sr\n0.500000 0.500000 -0.000000 Sr\n0.820372 0.971968 0.292339 Sr\n0.528032 0.679627 0.707660 Sr\n0.679627 0.179627 0.707660 Sr\n0.179627 0.028032 0.707660 Sr\n0.471967 0.320373 0.292339 Sr\n0.000000 0.000000 0.000000 Sr\n0.118081 0.381919 0.000000 In\n0.618081 0.118081 -0.000000 In\n0.881918 0.618081 -0.000000 In\n0.749999 0.750000 0.500000 In\n0.381918 0.881919 0.000000 In\n0.250000 0.250000 0.500000 In\n",
"nsites": 16,
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"elements": [
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{
"id": "jvasp-94242",
"created_at": "2022-09-04T14:35:47.654445Z",
"updated_at": "2022-09-04T14:35:47.654467Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n8.097855 -1.110347 0.000000\n-5.010516 6.457774 0.000000\n0.000000 0.000000 4.460337\nBa Mg Co\n1 6 1\ndirect\n0.275853 0.224147 0.750001 Ba\n0.210094 0.796659 0.250000 Mg\n0.703339 0.289905 0.250000 Mg\n0.681376 0.818622 0.250000 Mg\n0.317569 0.661271 0.750001 Mg\n0.838727 0.182429 0.750001 Mg\n0.870650 0.629347 0.750001 Mg\n0.102384 0.397615 0.250000 Co\n",
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{
"id": "jvasp-99527",
"created_at": "2022-09-04T14:36:11.928994Z",
"updated_at": "2022-09-04T14:36:11.929006Z",
"structure_string": "Na3 Au1 F6\n1.0\n5.220500 -0.000000 3.014057\n1.740167 4.921935 3.014057\n-0.000000 -0.000000 6.028114\nNa Au F\n3 1 6\ndirect\n0.750001 0.749999 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.752349 0.247651 0.247651 F\n0.247651 0.247651 0.752349 F\n0.247651 0.752349 0.752349 F\n0.247651 0.752349 0.247651 F\n0.752349 0.247651 0.752349 F\n0.752350 0.752349 0.247651 F\n",
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{
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"updated_at": "2022-09-04T14:36:02.685959Z",
"structure_string": "Ca1 Se1\n1.0\n3.625027 -0.000000 2.092911\n1.208343 3.417709 2.092911\n0.000000 0.000000 4.185821\nCa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Se\n",
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{
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"structure_string": "Li2 Hg1 Pb1\n1.0\n-9.320667 0.000000 -5.381289\n-6.163676 -0.903067 -0.086780\n-4.735737 3.135752 -2.560040\nLi Hg Pb\n2 1 1\ndirect\n0.758611 0.000000 0.000000 Li\n0.241389 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.000000 Pb\n",
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