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{
"id": "jvasp-39126",
"created_at": "2022-09-04T14:37:54.837230Z",
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{
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"structure_string": "Sm2 Zn2 P2 O2\n1.0\n3.894797 0.004055 9.811714\n1.879494 3.411298 9.811714\n0.006856 0.004055 10.556473\nSm Zn P O\n2 2 2 2\ndirect\n0.380632 0.380634 0.380631 Sm\n0.619367 0.619370 0.619366 Sm\n0.196542 0.196543 0.196542 Zn\n0.803457 0.803460 0.803455 Zn\n0.112938 0.112939 0.112938 P\n0.887061 0.887065 0.887059 P\n0.694756 0.694759 0.694754 O\n0.305244 0.305245 0.305243 O\n",
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{
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"structure_string": "Ca2 Ni2 Ge2 H2\n1.0\n3.984147 -0.000000 -0.000000\n0.000000 3.984147 0.000000\n-0.000000 -0.000000 7.748305\nCa Ni Ge H\n2 2 2 2\ndirect\n0.750001 0.750001 0.848997 Ca\n0.250000 0.250000 0.151003 Ca\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.750001 0.750001 0.338279 Ge\n0.250000 0.250000 0.661721 Ge\n0.750001 0.250000 0.000000 H\n0.250000 0.750001 0.000000 H\n",
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{
"id": "jvasp-25020",
"created_at": "2022-09-04T14:37:50.913912Z",
"updated_at": "2022-09-04T14:37:50.913928Z",
"structure_string": "I8 Cl8 O8 F8\n1.0\n0.000000 7.517596 0.058837\n7.042502 0.000000 0.000000\n0.000000 -1.070086 -12.730549\nI Cl O F\n8 8 8 8\ndirect\n0.309561 0.397783 0.414282 I\n0.643915 0.457845 0.218162 I\n0.356085 0.542155 0.781838 I\n0.143914 0.042155 0.218162 I\n0.190438 0.897783 0.585718 I\n0.856086 0.957845 0.781838 I\n0.690439 0.602217 0.585718 I\n0.809562 0.102217 0.414282 I\n0.715755 0.874902 0.936022 Cl\n0.539182 0.761188 0.155010 Cl\n0.460818 0.238812 0.844990 Cl\n0.039182 0.738812 0.155010 Cl\n0.784246 0.374902 0.063978 Cl\n0.284245 0.125097 0.063978 Cl\n0.960818 0.261188 0.844990 Cl\n0.215754 0.625097 0.936022 Cl\n0.770598 0.649015 0.722430 O\n0.270598 0.850985 0.722430 O\n0.039757 0.025655 0.395251 O\n0.460242 0.525654 0.604749 O\n0.229402 0.350985 0.277570 O\n0.539758 0.474345 0.395251 O\n0.960243 0.974345 0.604749 O\n0.729402 0.149015 0.277569 O\n0.417317 0.132681 0.424200 F\n0.582683 0.867319 0.575800 F\n0.082683 0.632680 0.575800 F\n0.741372 0.833034 0.392074 F\n0.258628 0.166966 0.607926 F\n0.917317 0.367319 0.424200 F\n0.758628 0.333034 0.607926 F\n0.241372 0.666966 0.392074 F\n",
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{
"id": "jvasp-35741",
"created_at": "2022-09-04T14:37:19.992227Z",
"updated_at": "2022-09-04T14:37:19.992257Z",
"structure_string": "Ca1 Ga1 Ge1 H1\n1.0\n2.067772 -3.581487 -0.000000\n2.067772 3.581487 0.000000\n-0.000000 -0.000000 4.771809\nCa Ga Ge H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.001078 Ca\n0.666667 0.333332 0.565370 Ga\n0.333332 0.666667 0.422379 Ge\n0.666667 0.333332 0.932128 H\n",
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"elements": [
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],
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"density_atomic": 0.05659537142009248,
"volume": 70.6771578599433,
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{
"id": "jvasp-36001",
"created_at": "2022-09-04T14:37:13.459679Z",
"updated_at": "2022-09-04T14:37:13.459715Z",
"structure_string": "Na1 Li1 I1 Cl1\n1.0\n4.051373 0.000000 0.000000\n0.000000 4.051373 -0.000000\n-0.000000 0.000000 6.098731\nNa Li I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
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"formula_full": "Na1 Li1 I1 Cl1",
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"spacegroup": 123
},
{
"id": "jvasp-57567",
"created_at": "2022-09-04T14:37:20.086020Z",
"updated_at": "2022-09-04T14:37:20.086049Z",
"structure_string": "Ag4 Hg4 S4 Br4\n1.0\n4.662169 0.000000 0.000000\n0.000000 9.797805 0.000000\n0.000000 0.000000 9.487843\nAg Hg S Br\n4 4 4 4\ndirect\n0.000000 0.207013 0.411642 Ag\n0.000000 0.792988 0.588358 Ag\n0.000000 0.207013 0.088358 Ag\n0.000000 0.792988 0.911642 Ag\n0.500000 0.229439 0.750000 Hg\n0.500000 0.770561 0.250000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.253448 0.003608 S\n0.500000 0.746552 -0.003608 S\n0.500000 0.746552 0.503608 S\n0.500000 0.253448 0.496392 S\n0.000000 0.021812 0.750000 Br\n0.000000 0.517782 0.750000 Br\n0.000000 0.482219 0.250000 Br\n0.000000 0.978188 0.250000 Br\n",
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"volume": 433.3953961414889,
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"formula_full": "Ag4 Hg4 S4 Br4",
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{
"id": "jvasp-9978",
"created_at": "2022-09-04T14:37:13.440184Z",
"updated_at": "2022-09-04T14:37:13.440204Z",
"structure_string": "K4 C4 S4 N4\n1.0\n6.641258 0.000000 0.000000\n-0.000000 6.684884 0.000000\n0.000000 0.000000 7.385636\nK C S N\n4 4 4 4\ndirect\n0.750000 0.804761 0.500000 K\n0.250000 0.195238 0.000000 K\n0.250000 0.195238 0.500000 K\n0.750000 0.804761 0.000000 K\n0.712274 0.232408 0.250000 C\n0.787727 0.232408 0.750000 C\n0.287727 0.767591 0.750000 C\n0.212273 0.767591 0.250000 C\n0.890374 0.399428 0.250000 S\n0.609626 0.399428 0.750000 S\n0.390374 0.600572 0.250000 S\n0.109626 0.600572 0.750000 S\n0.082391 0.890221 0.250000 N\n0.417609 0.890221 0.750000 N\n0.582391 0.109779 0.250000 N\n0.917610 0.109779 0.750000 N\n",
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"density_atomic": 0.048796408163107936,
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"formula_full": "K4 C4 S4 N4",
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{
"id": "jvasp-36190",
"created_at": "2022-09-04T14:37:13.797241Z",
"updated_at": "2022-09-04T14:37:13.797263Z",
"structure_string": "Ba1 Ga1 Si1 H1\n1.0\n2.154842 -3.732295 -0.000000\n2.154842 3.732295 0.000000\n0.000000 -0.000000 5.254763\nBa Ga Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.001004 Ba\n0.666667 0.333332 0.457940 Ga\n0.333332 0.666667 0.545887 Si\n0.666667 0.333332 0.121469 H\n",
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{
"id": "jvasp-101856",
"created_at": "2022-09-04T14:37:14.048453Z",
"updated_at": "2022-09-04T14:37:14.048476Z",
"structure_string": "H4 C4 S4 N4\n1.0\n4.381752 0.089829 -0.311855\n-0.150063 4.283119 -0.068228\n-0.258016 0.095076 10.935249\nH C S N\n4 4 4 4\ndirect\n0.227659 0.434502 0.660698 H\n0.227666 0.434490 0.160698 H\n0.883911 0.932930 0.852818 H\n0.883918 0.932918 0.352819 H\n0.966460 0.381660 0.803138 C\n0.966466 0.381650 0.303139 C\n0.144990 0.882597 0.210337 C\n0.144984 0.882606 0.710337 C\n0.356675 0.004770 0.100262 S\n0.356672 0.004781 0.600262 S\n0.754214 0.501736 0.912983 S\n0.754220 0.501724 0.412983 S\n0.109609 0.562284 0.722751 N\n0.109616 0.562274 0.222751 N\n0.002077 0.061911 0.790800 N\n0.002084 0.061901 0.290800 N\n",
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{
"id": "jvasp-29911",
"created_at": "2022-09-04T14:37:07.397019Z",
"updated_at": "2022-09-04T14:37:07.397049Z",
"structure_string": "Cu4 H4 Cl4 O4\n1.0\n5.406142 0.000000 -2.906539\n0.000000 6.737126 0.000000\n0.086899 0.000000 5.620414\nCu H Cl O\n4 4 4 4\ndirect\n0.030498 0.381824 0.777610 Cu\n0.969502 0.881824 0.722389 Cu\n0.969502 0.618177 0.222389 Cu\n0.030498 0.118177 0.277610 Cu\n0.702587 0.339719 0.941107 H\n0.297413 0.839720 0.558892 H\n0.297413 0.660281 0.058892 H\n0.702587 0.160281 0.441107 H\n0.322473 0.414630 0.636473 Cl\n0.677527 0.914630 0.863526 Cl\n0.677527 0.585371 0.363526 Cl\n0.322473 0.085371 0.136473 Cl\n0.884483 0.354320 0.038535 O\n0.115517 0.854320 0.461465 O\n0.115517 0.645680 0.961464 O\n0.884483 0.145680 0.538534 O\n",
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"formula_full": "Cu4 H4 Cl4 O4",
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{
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"created_at": "2022-09-04T14:37:08.226429Z",
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"structure_string": "Cd2 H2 Cl2 O2\n1.0\n3.707446 0.000000 0.000000\n-1.853723 3.210733 0.000000\n0.000000 0.000000 10.267161\nCd H Cl O\n2 2 2 2\ndirect\n0.666669 0.333335 0.508352 Cd\n0.333332 0.666664 0.008352 Cd\n0.000004 0.000007 0.683188 H\n0.999998 0.999992 0.183188 H\n0.666669 0.333336 0.841406 Cl\n0.333333 0.666664 0.341406 Cl\n0.000001 0.000003 0.587465 O\n1.000000 0.999996 0.087465 O\n",
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"formula_full": "Cd2 H2 Cl2 O2",
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}
]
}