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{
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{
"id": "jvasp-5413",
"created_at": "2022-09-04T14:38:04.392120Z",
"updated_at": "2022-09-04T14:38:04.392146Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
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{
"id": "jvasp-18473",
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"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
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{
"id": "jvasp-99572",
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"updated_at": "2022-09-04T14:36:17.451549Z",
"structure_string": "Tb3 Dy1\n1.0\n4.535795 -0.000056 -4.056088\n-0.907449 4.444094 -4.056088\n0.000046 0.000056 6.084840\nTb Dy\n3 1\ndirect\n0.750000 0.250000 0.499999 Tb\n0.250000 0.750000 0.499999 Tb\n0.499999 0.499999 -0.000001 Tb\n0.000000 0.000000 0.000000 Dy\n",
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"volume": 122.6569146718102,
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{
"id": "jvasp-99923",
"created_at": "2022-09-04T14:36:47.398607Z",
"updated_at": "2022-09-04T14:36:47.398632Z",
"structure_string": "Te1 Pb2 S1\n1.0\n4.237238 -0.000919 6.388179\n1.925350 3.774548 6.388179\n-0.001501 -0.000919 7.665704\nTe Pb S\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.258551 0.258551 0.258550 Pb\n0.741450 0.741449 0.741449 Pb\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
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"elements": [
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"Pb",
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"density": 7.771162797244108,
"density_atomic": 0.03260887617259516,
"volume": 122.6659875927169,
"volume_molar": 18.46779609369387,
"formula_full": "Te1 Pb2 S1",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
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{
"id": "jvasp-110678",
"created_at": "2022-09-04T14:38:36.119558Z",
"updated_at": "2022-09-04T14:38:36.119578Z",
"structure_string": "K2 In1 As1 Cl6\n1.0\n6.555309 -0.000000 3.784709\n2.185103 6.180404 3.784709\n-0.000000 -0.000000 7.569418\nK In As Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.764401 0.235599 0.235599 Cl\n0.235599 0.235599 0.764401 Cl\n0.235599 0.764400 0.764401 Cl\n0.235599 0.764400 0.235600 Cl\n0.764401 0.235599 0.764401 Cl\n0.764401 0.764400 0.235600 Cl\n",
"nsites": 10,
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"elements": [
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"As",
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"chemical_system": "As-Cl-In-K",
"density": 2.602611338488404,
"density_atomic": 0.03260824898516549,
"volume": 306.67086737927303,
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"formula_full": "K2 In1 As1 Cl6",
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"spacegroup": 225
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{
"id": "jvasp-28944",
"created_at": "2022-09-04T14:37:46.170328Z",
"updated_at": "2022-09-04T14:37:46.170351Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.357984 0.000000 -0.000000\n-1.678992 2.908080 -0.000066\n-0.000000 -0.000869 37.689336\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707668 Te\n0.333353 0.666706 0.607004 Te\n0.333321 0.666643 0.093955 Mo\n0.666695 0.333391 0.657594 Mo\n0.333313 0.666626 0.469593 W\n0.666678 0.333357 0.281796 W\n0.333360 0.666720 0.326331 Se\n0.666642 0.333283 0.050039 Se\n0.666643 0.333286 0.138139 Se\n0.333355 0.666711 0.237315 Se\n0.666643 0.333285 0.429111 S\n0.666638 0.333277 0.510201 S\n",
"nsites": 12,
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"elements": [
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"spacegroup": 156
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{
"id": "jvasp-91767",
"created_at": "2022-09-04T14:35:46.544523Z",
"updated_at": "2022-09-04T14:35:46.544543Z",
"structure_string": "Bi4 Se4\n1.0\n-0.578688 0.000000 4.879719\n5.751474 0.000000 -1.036716\n0.000000 8.934591 0.000000\nBi Se\n4 4\ndirect\n0.257442 0.845314 0.606964 Bi\n0.757443 0.345315 0.893036 Bi\n0.742557 0.154684 0.393036 Bi\n0.242556 0.654685 0.106964 Bi\n0.153097 0.312173 0.638553 Se\n0.653096 0.812172 0.861446 Se\n0.846903 0.687826 0.361447 Se\n0.346903 0.187827 0.138553 Se\n",
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"density": 7.793764222301682,
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"volume": 245.39427645719857,
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"formula_full": "Bi4 Se4",
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"spacegroup": 14
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{
"id": "jvasp-40074",
"created_at": "2022-09-04T14:37:39.623479Z",
"updated_at": "2022-09-04T14:37:39.623510Z",
"structure_string": "Ac1 Ag1\n1.0\n3.944014 0.000000 0.000000\n-0.000000 3.944014 0.000000\n0.000000 -0.000000 3.944014\nAc Ag\n1 1\ndirect\n0.000000 0.000000 0.000000 Ac\n0.499999 0.499999 0.499999 Ag\n",
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"formula_full": "Ac1 Ag1",
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"spacegroup": 221
},
{
"id": "jvasp-37458",
"created_at": "2022-09-04T14:38:28.727363Z",
"updated_at": "2022-09-04T14:38:28.727389Z",
"structure_string": "Yb10 Sn6\n1.0\n9.238505 -0.000051 0.000000\n-4.619296 8.000814 0.000000\n0.000000 0.000000 6.640898\nYb Sn\n10 6\ndirect\n0.333329 0.666670 0.000000 Yb\n0.666669 0.333330 0.500000 Yb\n0.666669 0.333330 -0.000000 Yb\n0.333329 0.666670 0.500000 Yb\n0.274489 0.000010 0.250000 Yb\n0.725510 0.999990 0.750000 Yb\n0.000010 0.274487 0.250000 Yb\n0.725546 0.725546 0.250000 Yb\n0.274452 0.274453 0.750000 Yb\n0.999989 0.725512 0.750000 Yb\n0.617532 0.000005 0.250000 Sn\n0.382467 0.999994 0.750000 Sn\n0.000005 0.617531 0.250000 Sn\n0.382502 0.382502 0.250000 Sn\n0.617497 0.617497 0.750000 Sn\n-0.000006 0.382468 0.750000 Sn\n",
"nsites": 16,
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"density": 8.263248626223469,
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"volume": 490.86413103304125,
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"formula_full": "Yb10 Sn6",
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{
"id": "jvasp-29207",
"created_at": "2022-09-04T14:37:44.825943Z",
"updated_at": "2022-09-04T14:37:44.825960Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.352630 0.000000 0.000000\n-1.676315 2.903470 -0.000010\n0.000000 -0.000131 37.821452\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333360 0.666719 0.332124 Te\n0.333359 0.666718 0.231651 Te\n0.333310 0.666618 0.093888 Mo\n0.333331 0.666661 0.469677 Mo\n0.666696 0.333390 0.281803 Mo\n0.666684 0.333367 0.657490 W\n0.333359 0.666718 0.701592 Se\n0.666642 0.333282 0.050051 Se\n0.666647 0.333293 0.137890 Se\n0.333358 0.666715 0.613212 Se\n0.666631 0.333260 0.429539 S\n0.666631 0.333261 0.509830 S\n",
"nsites": 12,
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"density_atomic": 0.032594181408177846,
"volume": 368.16387102113913,
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"formula_full": "Te2 Mo3 W1 Se4 S2",
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{
"id": "jvasp-119464",
"created_at": "2022-09-04T14:38:33.676954Z",
"updated_at": "2022-09-04T14:38:33.676979Z",
"structure_string": "K4 Ba2 As10\n1.0\n6.620047 0.009769 0.000000\n-1.968896 6.320488 0.000000\n-0.000000 0.000000 11.727007\nK Ba As\n4 2 10\ndirect\n0.766103 0.233897 0.850451 K\n0.233897 0.766103 0.350451 K\n0.853416 0.146585 0.228401 K\n0.146584 0.853416 0.728401 K\n0.607860 0.392140 0.526114 Ba\n0.392139 0.607861 0.026114 Ba\n0.301158 0.381883 0.760395 As\n0.698842 0.618117 0.260395 As\n0.381883 0.301158 0.260395 As\n0.618117 0.698842 0.760395 As\n0.946402 0.053599 0.504758 As\n0.053598 0.946401 0.004758 As\n0.106587 0.414674 0.582198 As\n0.893413 0.585326 0.082198 As\n0.414674 0.106588 0.082198 As\n0.585325 0.893413 0.582198 As\n",
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{
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"created_at": "2022-09-04T14:36:12.326818Z",
"updated_at": "2022-09-04T14:36:12.326838Z",
"structure_string": "Rb6 V4 Br18\n1.0\n7.357935 -0.000000 -0.000000\n-3.678968 6.372159 0.000000\n0.000000 0.000000 18.323450\nRb V Br\n6 4 18\ndirect\n0.666667 0.333333 0.572531 Rb\n0.333333 0.666667 0.072531 Rb\n0.333333 0.666667 0.427469 Rb\n0.666667 0.333333 0.927469 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.666667 0.333333 0.161329 V\n0.333333 0.666667 0.838671 V\n0.333333 0.666667 0.661329 V\n0.666667 0.333333 0.338671 V\n0.169837 0.339675 0.587908 Br\n0.990814 0.495407 0.250000 Br\n0.339675 0.169837 0.087908 Br\n0.169837 0.830163 0.912092 Br\n0.495407 0.504594 0.750000 Br\n0.504594 0.495407 0.250000 Br\n0.495407 0.990813 0.750000 Br\n0.830163 0.660325 0.087908 Br\n0.830163 0.169837 0.412092 Br\n0.009187 0.504594 0.750000 Br\n0.169837 0.339675 0.912092 Br\n0.339675 0.169837 0.412092 Br\n0.504594 0.009187 0.250000 Br\n0.660325 0.830163 0.587908 Br\n0.169837 0.830163 0.587908 Br\n0.830163 0.660325 0.412092 Br\n0.660325 0.830163 0.912092 Br\n0.830163 0.169837 0.087908 Br\n",
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}