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{
"id": "jvasp-98647",
"created_at": "2022-09-04T14:36:01.544439Z",
"updated_at": "2022-09-04T14:36:01.544465Z",
"structure_string": "Ca1 V2 P2 H8 O14\n1.0\n6.344425 0.029146 -0.444981\n-0.114503 6.082203 -1.844057\n0.009673 -0.023519 6.594730\nCa V P H O\n1 2 2 8 14\ndirect\n0.535537 0.469472 0.153661 Ca\n0.832043 0.504602 0.705336 V\n0.320025 0.935345 0.519222 V\n0.330342 0.468336 0.623837 P\n0.830378 0.969095 0.607603 P\n0.709269 -0.002777 -0.012156 H\n0.685924 0.064695 0.241597 H\n0.175918 0.182026 0.975046 H\n0.184051 0.252203 0.230986 H\n0.419923 0.910278 0.100900 H\n0.919702 0.716665 0.202054 H\n0.979698 0.470195 0.092458 H\n0.226463 0.741913 0.017627 H\n0.008401 0.891229 0.452247 O\n0.326080 0.806708 0.143227 O\n0.872426 0.585761 0.080786 O\n0.626236 0.934569 0.456748 O\n0.819090 0.834545 0.769467 O\n0.862741 0.209436 0.744395 O\n0.787079 0.444123 0.447844 O\n0.296547 0.231414 0.472247 O\n0.142445 0.546099 0.761734 O\n0.357359 0.610337 0.471747 O\n0.323479 0.009211 0.776478 O\n0.177004 0.308945 0.105063 O\n0.527147 0.488188 0.782679 O\n0.629083 0.089188 0.107465 O\n",
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"formula_full": "Tl2 Te1 Cl6",
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"spacegroup": 225
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{
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"created_at": "2022-09-04T14:36:01.542010Z",
"updated_at": "2022-09-04T14:36:01.542031Z",
"structure_string": "Rb2 H6 Pt1\n1.0\n4.227179 4.227179 0.000000\n-0.000000 4.227179 4.227179\n4.227179 -0.000000 4.227179\nRb H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.196602 0.803398 0.803398 H\n0.196602 0.196602 0.803398 H\n0.196602 0.803398 0.196602 H\n0.803398 0.196602 0.196602 H\n0.803398 0.803398 0.196602 H\n0.803398 0.196602 0.803398 H\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-64276",
"created_at": "2022-09-04T14:36:01.538470Z",
"updated_at": "2022-09-04T14:36:01.538497Z",
"structure_string": "Ba4 Te1 Mo1\n1.0\n0.000000 4.982817 4.982817\n4.982817 -0.000000 4.982817\n4.982817 4.982817 0.000000\nBa Te Mo\n4 1 1\ndirect\n0.124701 0.625100 0.625100 Ba\n0.625100 0.625100 0.625100 Ba\n0.625100 0.124701 0.625100 Ba\n0.625100 0.625100 0.124701 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:36:01.537589Z",
"updated_at": "2022-09-04T14:36:01.537606Z",
"structure_string": "Be1 Cr1 Mo2\n1.0\n3.130870 0.000000 0.000000\n0.000000 3.130870 0.000000\n0.000000 0.000000 5.367223\nBe Cr Mo\n1 1 2\ndirect\n0.000000 0.000000 0.510063 Be\n0.500000 0.500000 0.718423 Cr\n0.000000 0.000000 0.990177 Mo\n0.500000 0.500000 0.281335 Mo\n",
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{
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"created_at": "2022-09-04T14:36:01.535170Z",
"updated_at": "2022-09-04T14:36:01.535193Z",
"structure_string": "Sc1 Be1 Fe4\n1.0\n-0.000000 3.337617 3.337617\n3.337617 -0.000000 3.337617\n3.337617 3.337617 0.000000\nSc Be Fe\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Be\n0.121773 0.626076 0.626076 Fe\n0.626076 0.626076 0.626076 Fe\n0.626076 0.121773 0.626076 Fe\n0.626076 0.626076 0.121773 Fe\n",
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{
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"created_at": "2022-09-04T14:36:01.534098Z",
"updated_at": "2022-09-04T14:36:01.534124Z",
"structure_string": "Ho2 S2 I2\n1.0\n4.148345 0.000000 0.000000\n-0.000000 5.327492 0.000000\n0.000000 0.000000 9.116679\nHo S I\n2 2 2\ndirect\n0.750001 0.750000 0.878419 Ho\n0.250000 0.250000 0.121581 Ho\n0.750001 0.250000 0.926829 S\n0.250000 0.750000 0.073171 S\n0.750001 0.250000 0.362410 I\n0.250000 0.750000 0.637590 I\n",
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"formula_full": "Ho2 S2 I2",
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"spacegroup": 59
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{
"id": "jvasp-42639",
"created_at": "2022-09-04T14:36:01.531322Z",
"updated_at": "2022-09-04T14:36:01.531352Z",
"structure_string": "Cu6 S6\n1.0\n1.677799 -2.906034 -0.000000\n1.677799 2.906034 0.000000\n-0.000000 0.000000 18.691067\nCu S\n6 6\ndirect\n0.333334 0.666667 0.083336 Cu\n0.666667 0.333334 0.916666 Cu\n0.666667 0.333334 0.583338 Cu\n0.666667 0.333334 0.249997 Cu\n0.333334 0.666667 0.750004 Cu\n0.333334 0.666667 0.416665 Cu\n0.000000 0.000000 0.166670 S\n0.000000 0.000000 0.666674 S\n0.000000 0.000000 0.333328 S\n0.000000 0.000000 0.000001 S\n0.000000 0.000000 0.833326 S\n0.000000 0.000000 0.499997 S\n",
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"volume": 182.2656011371893,
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"formula_full": "Cu6 S6",
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{
"id": "jvasp-98367",
"created_at": "2022-09-04T14:36:01.523487Z",
"updated_at": "2022-09-04T14:36:01.523507Z",
"structure_string": "Ba6 Te8 O22\n1.0\n7.473914 0.003606 -2.800951\n-2.810478 8.946316 -1.266736\n-0.017155 0.016919 10.033335\nBa Te O\n6 8 22\ndirect\n0.281900 0.544220 0.628075 Ba\n0.307115 0.011560 0.111028 Ba\n0.692884 0.988441 0.888971 Ba\n0.718099 0.455781 0.371924 Ba\n0.855213 0.596663 0.821364 Ba\n0.144786 0.403338 0.178635 Ba\n0.913616 0.112606 0.299761 Te\n0.086383 0.887395 0.700238 Te\n0.524437 0.688518 0.059689 Te\n0.052262 0.760081 0.282359 Te\n0.947737 0.239920 0.717640 Te\n0.568878 0.813082 0.461476 Te\n0.431121 0.186919 0.538523 Te\n0.475562 0.311483 0.940310 Te\n0.664182 0.124022 0.632031 O\n0.071627 0.684264 0.106463 O\n0.928372 0.315737 0.893536 O\n0.335817 0.875979 0.367968 O\n0.857916 0.729453 0.579899 O\n0.528227 0.788732 0.630415 O\n0.142083 0.270548 0.420100 O\n0.211057 0.765272 0.807548 O\n0.788942 0.234729 0.192451 O\n0.998229 0.954559 0.842675 O\n0.001770 0.045442 0.157324 O\n0.594872 0.687102 0.898739 O\n0.534446 0.387304 0.648480 O\n0.405126 0.312899 0.101260 O\n0.402954 0.101915 0.868071 O\n0.737122 0.638642 0.182726 O\n0.262877 0.361359 0.817273 O\n0.069033 0.596056 0.369401 O\n0.930966 0.403945 0.630598 O\n0.471772 0.211269 0.369584 O\n0.597045 0.898086 0.131928 O\n0.465553 0.612697 0.351519 O\n",
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{
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"created_at": "2022-09-04T14:36:01.521118Z",
"updated_at": "2022-09-04T14:36:01.521145Z",
"structure_string": "Mn1 Be1 Cl1\n1.0\n1.506253 -2.608907 -0.000000\n1.506253 2.608907 -0.000000\n-0.000000 -0.000000 5.366216\nMn Be Cl\n1 1 1\ndirect\n0.333332 0.666666 0.683552 Mn\n0.000000 0.000000 0.994749 Be\n0.666666 0.333332 0.321701 Cl\n",
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{
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"created_at": "2022-09-04T14:36:01.519424Z",
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"structure_string": "Tm1 Si2 Pt2\n1.0\n3.936675 0.000000 -1.517729\n-0.585138 3.892945 -1.517729\n-0.065176 -0.075704 5.695274\nTm Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.619129 0.619130 0.238258 Si\n0.380871 0.380872 0.761741 Si\n0.250000 0.750001 0.500000 Pt\n0.750000 0.250001 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:36:01.516782Z",
"updated_at": "2022-09-04T14:36:01.516812Z",
"structure_string": "Mg4 As16\n1.0\n5.455491 -0.000000 -0.000000\n0.000000 5.455491 -0.000000\n-0.000000 -0.000000 16.008590\nMg As\n4 16\ndirect\n0.806619 0.806619 0.500000 Mg\n0.693381 0.306619 0.750000 Mg\n0.306619 0.693381 0.250000 Mg\n0.193381 0.193381 0.000000 Mg\n0.473701 0.395418 0.125022 As\n0.604581 0.526299 0.374978 As\n0.938351 0.323960 0.296436 As\n0.061649 0.676040 0.796436 As\n0.323960 0.938351 0.703564 As\n0.823960 0.561649 0.046436 As\n0.176040 0.438351 0.546436 As\n0.438351 0.176040 0.453564 As\n0.526299 0.604581 0.625022 As\n0.676040 0.061649 0.203564 As\n0.026299 0.895418 0.124978 As\n0.973700 0.104581 0.624978 As\n0.895418 0.026299 0.875022 As\n0.395418 0.473701 0.874978 As\n0.561649 0.823960 0.953564 As\n0.104581 0.973700 0.375022 As\n",
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}