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{
"id": "jvasp-109355",
"created_at": "2022-09-04T14:38:19.137269Z",
"updated_at": "2022-09-04T14:38:19.137295Z",
"structure_string": "Ti4 V1\n1.0\n11.463961 -0.022498 1.886033\n11.169903 2.545830 0.885217\n0.007697 -0.067229 2.771251\nTi V\n4 1\ndirect\n0.408464 0.408463 0.591536 Ti\n0.801372 0.801371 0.198628 Ti\n0.198629 0.198628 0.801371 Ti\n0.591537 0.591536 0.408463 Ti\n0.000000 0.000000 0.000000 V\n",
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{
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"structure_string": "C2\n1.0\n-0.000000 -2.465655 -0.000000\n2.134054 -1.232828 0.000219\n0.000389 -1.232828 3.373824\nC\n2\ndirect\n0.166686 0.666623 0.500004 C\n0.833315 0.333376 0.499995 C\n",
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{
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"created_at": "2022-09-04T14:38:26.103630Z",
"updated_at": "2022-09-04T14:38:26.103657Z",
"structure_string": "Ga1 Fe2\n1.0\n5.876538 0.007438 1.658170\n5.376036 2.431723 0.921912\n-0.022975 0.111286 2.580082\nGa Fe\n1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.331231 0.331234 0.668767 Fe\n0.668768 0.668768 0.331231 Fe\n",
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{
"id": "jvasp-117361",
"created_at": "2022-09-04T14:38:26.551299Z",
"updated_at": "2022-09-04T14:38:26.551320Z",
"structure_string": "Ba1 As2 Xe5 F22\n1.0\n8.230018 -0.019500 5.293248\n3.436855 7.399439 3.683822\n0.071878 -0.111253 8.977070\nBa As Xe F\n1 2 5 22\ndirect\n0.000000 0.000000 0.000000 Ba\n-0.000000 0.500000 0.000000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.000000 0.500000 Xe\n0.500000 0.500000 0.000000 Xe\n0.500000 0.000000 0.000000 Xe\n-0.000000 0.500000 0.500000 Xe\n0.500000 0.500000 0.500000 Xe\n0.350012 0.649988 0.350012 F\n0.649988 0.350012 0.649988 F\n0.952556 0.403163 0.228715 F\n0.047444 0.596837 0.771285 F\n0.771285 0.584435 0.047445 F\n0.228715 0.415566 0.952555 F\n0.596837 0.047445 0.584435 F\n0.692564 0.307436 0.097366 F\n0.403163 0.952556 0.415565 F\n0.307436 0.692565 0.902634 F\n0.938525 0.294920 0.705080 F\n0.902634 0.097366 0.307436 F\n0.061475 0.705080 0.294920 F\n0.415565 0.228715 0.403163 F\n0.705080 0.061475 0.938525 F\n0.294919 0.938525 0.061475 F\n0.702110 0.949262 0.297890 F\n0.297890 0.050739 0.702110 F\n0.949261 0.702111 0.050738 F\n0.050738 0.297890 0.949261 F\n0.097365 0.902635 0.692564 F\n0.584435 0.771285 0.596837 F\n",
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{
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"created_at": "2022-09-04T14:38:31.534450Z",
"updated_at": "2022-09-04T14:38:31.534470Z",
"structure_string": "Rb4 As6\n1.0\n6.409408 -0.101042 -2.330150\n-1.666902 6.189682 -2.330150\n0.036262 0.046555 8.818333\nRb As\n4 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.259456 0.740544 -0.000000 Rb\n0.740545 0.259456 0.000000 Rb\n0.686041 0.686041 0.839504 As\n0.846536 0.846536 0.160495 As\n0.313959 0.313958 0.160495 As\n0.153464 0.153464 0.839504 As\n0.838803 0.838802 0.677606 As\n0.161197 0.161197 0.322393 As\n",
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"elements": [
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"volume": 349.7650600900468,
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{
"id": "jvasp-55449",
"created_at": "2022-09-04T14:38:33.734038Z",
"updated_at": "2022-09-04T14:38:33.734054Z",
"structure_string": "Ba4 Na2 Ni6 O12\n1.0\n6.686668 -0.000935 -2.080712\n-2.801098 6.071687 -2.080712\n0.017086 0.026695 8.377663\nBa Na Ni O\n4 2 6 12\ndirect\n0.770936 0.229064 0.000001 Ba\n0.750000 0.249999 0.500000 Ba\n0.250000 0.750001 0.500000 Ba\n0.229063 0.770936 0.000000 Ba\n0.330311 0.330311 0.660622 Na\n0.669690 0.669687 0.339377 Na\n0.694344 0.694343 0.000001 Ni\n0.305657 0.305657 0.000000 Ni\n0.006321 0.006319 0.712684 Ni\n0.293635 0.293635 0.287315 Ni\n0.706364 0.706363 0.712684 Ni\n0.993679 0.993679 0.287315 Ni\n0.499051 0.276808 0.189430 O\n0.702265 0.926484 0.628750 O\n0.297735 0.073516 0.371250 O\n0.309621 0.087378 0.810569 O\n0.276810 0.499052 0.189431 O\n0.912621 0.690379 0.189431 O\n0.500949 0.723190 0.810570 O\n0.690379 0.912620 0.189430 O\n0.723191 0.500948 0.810571 O\n0.087380 0.309621 0.810570 O\n0.926484 0.702264 0.628749 O\n0.073516 0.297736 0.371250 O\n",
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"density_atomic": 0.07041248230223443,
"volume": 340.8486565916509,
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"formula_full": "Ba4 Na2 Ni6 O12",
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{
"id": "jvasp-119507",
"created_at": "2022-09-04T14:38:34.391216Z",
"updated_at": "2022-09-04T14:38:34.391242Z",
"structure_string": "Ba4 Y2 Cu6 O13\n1.0\n12.201174 -0.016609 2.802072\n10.976355 5.336028 2.690034\n-0.003438 0.015026 5.492106\nBa Y Cu O\n4 2 6 13\ndirect\n0.162742 0.645754 0.837258 Ba\n0.645752 0.162742 0.354247 Ba\n0.837258 0.354247 0.162742 Ba\n0.354247 0.837258 0.645752 Ba\n0.000000 0.500000 -0.000000 Y\n0.499999 0.000000 0.500000 Y\n0.743372 0.256628 0.743372 Cu\n0.256628 0.743373 0.256627 Cu\n0.933364 0.430463 0.569537 Cu\n0.430463 0.933365 0.066634 Cu\n0.066635 0.569537 0.430463 Cu\n0.569536 0.066636 0.933365 Cu\n0.304281 0.848041 0.151958 O\n0.151959 0.695720 0.304280 O\n0.695719 0.151960 0.848041 O\n0.690164 0.690166 0.809835 O\n0.190165 0.190165 0.309835 O\n0.311510 0.311512 0.688489 O\n0.190927 0.190928 0.809073 O\n0.809834 0.809835 0.690165 O\n0.309835 0.309835 0.190165 O\n0.809072 0.809073 0.190927 O\n0.848040 0.304281 0.695719 O\n0.688489 0.688489 0.311511 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-110964",
"created_at": "2022-09-04T14:38:38.379005Z",
"updated_at": "2022-09-04T14:38:38.379019Z",
"structure_string": "V4 Ru1\n1.0\n10.283306 -0.004649 1.814302\n9.986243 2.451569 0.843469\n0.000542 -0.004481 2.657771\nV Ru\n4 1\ndirect\n0.398883 0.398883 0.601117 V\n0.799899 0.799899 0.200100 V\n0.200100 0.200101 0.799899 V\n0.601117 0.601117 0.398882 V\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-112376",
"created_at": "2022-09-04T14:38:40.492041Z",
"updated_at": "2022-09-04T14:38:40.492072Z",
"structure_string": "Ba4 Sc2 Cu2 O9\n1.0\n8.501325 0.012032 2.981419\n6.462183 5.533967 2.905455\n-0.006587 0.017838 5.886874\nBa Sc Cu O\n4 2 2 9\ndirect\n0.877905 0.385486 0.122095 Ba\n0.385486 0.877905 0.614513 Ba\n0.614514 0.122095 0.385486 Ba\n0.122094 0.614514 0.877904 Ba\n0.500000 -0.000000 -0.000000 Sc\n-0.000001 0.500000 0.499999 Sc\n0.731063 0.268937 0.731063 Cu\n0.268936 0.731064 0.268936 Cu\n0.250000 0.250000 0.250000 O\n0.256288 0.256289 0.743711 O\n0.743711 0.743712 0.256288 O\n0.882720 0.341516 0.658484 O\n0.658484 0.117280 0.882720 O\n0.341515 0.882721 0.117279 O\n0.750000 0.750000 0.749999 O\n0.117279 0.658485 0.341515 O\n0.500000 0.500000 0.499999 O\n",
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{
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"created_at": "2022-09-04T14:38:45.601005Z",
"updated_at": "2022-09-04T14:38:45.601042Z",
"structure_string": "V4 Ir1\n1.0\n10.296966 -0.011601 1.823742\n9.997698 2.463399 0.851982\n0.000257 -0.002130 2.675724\nV Ir\n4 1\ndirect\n0.396447 0.396447 0.603551 V\n0.799567 0.799568 0.200431 V\n0.200433 0.200433 0.799565 V\n0.603553 0.603554 0.396445 V\n0.000000 0.000000 0.000000 Ir\n",
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{
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"created_at": "2022-09-04T14:38:49.852658Z",
"updated_at": "2022-09-04T14:38:49.852683Z",
"structure_string": "Mn2 Fe2 B2\n1.0\n4.003511 0.013937 3.042029\n2.389262 3.218178 1.057745\n-0.004642 0.009222 4.099767\nMn Fe B\n2 2 2\ndirect\n0.838573 0.161411 0.838621 Mn\n0.161410 0.838572 0.161364 Mn\n0.665340 0.665340 0.334650 Fe\n0.334642 0.334644 0.665336 Fe\n0.249971 0.249970 0.250005 B\n0.750010 0.750013 0.749981 B\n",
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{
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"created_at": "2022-09-04T14:38:53.284933Z",
"updated_at": "2022-09-04T14:38:53.284960Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.239030 0.003010 -1.626017\n-0.587793 5.201757 -1.639315\n-0.038508 -0.020102 9.006656\nSr Mn Ga O\n4 2 2 10\ndirect\n0.877582 0.403162 0.780750 Sr\n0.122420 0.596840 0.219250 Sr\n0.403167 0.877588 0.780750 Sr\n0.596835 0.122414 0.219250 Sr\n0.000001 -0.000000 -0.000000 Mn\n0.499999 0.500000 -0.000002 Mn\n0.183089 0.183130 0.500007 Ga\n0.816909 0.816871 0.499992 Ga\n0.620695 0.620660 0.287599 O\n0.379303 0.379340 0.712403 O\n0.171484 0.828545 0.500000 O\n0.828514 0.171456 0.500000 O\n0.243461 0.243463 0.986922 O\n0.250008 0.750012 0.000014 O\n0.756540 0.756536 0.013077 O\n0.833070 0.833036 0.712380 O\n0.749994 0.249990 0.999985 O\n0.166929 0.166965 0.287621 O\n",
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],
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"volume": 244.9494008611626,
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"formula_full": "Sr4 Mn2 Ga2 O10",
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"formula_anonymous": "ABC2D5",
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}
]
}