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{
"id": "jvasp-103552",
"created_at": "2022-09-04T14:36:50.726860Z",
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"structure_string": "Li1 Ag1 F4\n1.0\n4.609476 -0.027403 0.502753\n0.206989 4.604908 0.502753\n-0.012927 -0.012286 3.525593\nLi Ag F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.499999 Ag\n0.710202 0.710202 0.056506 F\n0.195073 0.804927 0.499999 F\n0.804927 0.195073 0.499999 F\n0.289798 0.289798 0.943491 F\n",
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{
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"structure_string": "Te2 O4\n1.0\n-3.325733 -0.000000 -0.000000\n0.000000 0.000000 -3.419401\n1.662867 -6.587391 0.000000\nTe O\n2 4\ndirect\n0.142505 0.250000 0.285013 Te\n0.857493 0.750000 0.714987 Te\n0.249986 0.750000 0.499973 O\n0.750012 0.250000 0.500027 O\n0.407424 0.250000 0.814851 O\n0.592574 0.750000 0.185149 O\n",
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{
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"structure_string": "Li4 B4 Ir4\n1.0\n0.000000 4.623038 5.257788\n3.081875 0.000000 5.257788\n3.081875 4.623038 0.000000\nLi B Ir\n4 4 4\ndirect\n0.500001 0.499999 0.499999 Li\n0.000001 0.499999 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.198445 0.051555 0.698444 B\n0.551556 0.698444 0.051555 B\n0.801557 0.948444 0.301554 B\n0.448446 0.301554 0.948444 B\n0.508548 0.008547 0.741452 Ir\n0.241453 0.741452 0.008547 Ir\n0.491454 0.991452 0.258546 Ir\n0.758549 0.258546 0.991452 Ir\n",
"nsites": 12,
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"elements": [
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"density_atomic": 0.08009505361046568,
"volume": 149.82198599130484,
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"formula_full": "Li4 B4 Ir4",
"formula_reduced": "LiBIr",
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{
"id": "jvasp-54639",
"created_at": "2022-09-04T14:36:09.877379Z",
"updated_at": "2022-09-04T14:36:09.877404Z",
"structure_string": "Mn1 Ga2 Co1\n1.0\n3.579381 0.000418 2.066340\n1.193020 3.375546 2.067212\n-0.000478 0.000729 4.133510\nMn Ga Co\n1 2 1\ndirect\n0.500003 0.500020 0.499997 Mn\n0.749998 0.750012 0.750006 Ga\n0.250001 0.249992 0.250003 Ga\n0.999993 0.999981 0.999992 Co\n",
"nsites": 4,
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{
"id": "jvasp-86409",
"created_at": "2022-09-04T14:36:15.341701Z",
"updated_at": "2022-09-04T14:36:15.341727Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333837 -0.006437 -1.555688\n-2.674149 4.615060 -1.555688\n-0.003288 -0.005696 6.094413\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000000 0.500000 -0.000000 Li\n0.948436 0.051563 0.749999 B\n0.698436 0.301563 0.249999 B\n0.301563 0.698435 0.749999 B\n0.051563 0.948436 0.249999 B\n0.258547 0.008547 0.017093 Ir\n0.741452 0.991452 0.982905 Ir\n0.008546 0.258546 0.517093 Ir\n0.991453 0.741452 0.482905 Ir\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.308789980795792,
"density_atomic": 0.08009588594840575,
"volume": 149.82042907584383,
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"formula_full": "Li4 B4 Ir4",
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"spacegroup": 70
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{
"id": "jvasp-118477",
"created_at": "2022-09-04T14:38:33.889535Z",
"updated_at": "2022-09-04T14:38:33.889561Z",
"structure_string": "Sb1 H1 O1\n1.0\n3.821355 -0.000000 -0.000000\n-1.910678 3.309391 -0.000000\n-0.000000 0.000000 2.961689\nSb H O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 H\n0.333334 0.666666 0.000000 O\n",
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"density_atomic": 0.08009701581443598,
"volume": 37.45457891902268,
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{
"id": "jvasp-85913",
"created_at": "2022-09-04T14:35:46.853305Z",
"updated_at": "2022-09-04T14:35:46.853335Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333691 -0.006469 -1.555629\n-2.674103 4.614917 -1.555629\n-0.003222 -0.005583 6.094405\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.500001 Li\n0.000000 0.500000 0.000000 Li\n0.948432 0.051569 0.750001 B\n0.698431 0.301569 0.250000 B\n0.301570 0.698432 0.750001 B\n0.051570 0.948432 0.250000 B\n0.258542 0.008542 0.017084 Ir\n0.741459 0.991459 0.982917 Ir\n0.008543 0.258543 0.517085 Ir\n0.991459 0.741458 0.482916 Ir\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.309261171802047,
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"volume": 149.8128458705356,
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"formula_full": "Li4 B4 Ir4",
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{
"id": "jvasp-42764",
"created_at": "2022-09-04T14:35:50.553830Z",
"updated_at": "2022-09-04T14:35:50.553858Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.845608 0.001610\n3.202233 0.000000 0.000000\n0.000000 -0.635058 -14.482418\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.016980 0.000000 0.673225 Mn\n0.983020 0.000000 0.326775 Mn\n0.472894 0.499999 0.823928 Mn\n0.500000 0.499999 0.500000 Mn\n0.527106 0.499999 0.176072 Mn\n0.695652 0.000000 0.232743 O\n0.304348 0.000000 0.767257 O\n0.206354 0.499999 0.938265 F\n0.307713 0.000000 0.106632 F\n0.294405 0.000000 0.429916 F\n0.705595 0.000000 0.570084 F\n0.807404 0.499999 0.730957 F\n0.793646 0.499999 0.061735 F\n0.807293 0.499999 0.402317 F\n0.192707 0.499999 0.597683 F\n0.692287 0.000000 0.893368 F\n0.192596 0.499999 0.269043 F\n",
"nsites": 18,
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"elements": [
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"density": 4.076112283241574,
"density_atomic": 0.08010074365238491,
"volume": 224.71701483965023,
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"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 10
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{
"id": "jvasp-61502",
"created_at": "2022-09-04T14:36:00.999254Z",
"updated_at": "2022-09-04T14:36:00.999285Z",
"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.549020 4.549020 3.318106\n4.549020 -4.549020 3.318106\n4.549020 4.549020 -3.318106\nSr Cu B O\n2 4 4 12\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.852584 0.852584 0.228176 Cu\n0.624407 0.624407 0.771824 Cu\n0.147417 0.375593 0.000000 Cu\n0.375593 0.147417 0.000000 Cu\n0.950028 0.542074 0.000000 B\n0.457927 0.457927 0.407954 B\n0.542074 0.950028 0.000000 B\n0.049973 0.049973 0.592046 B\n0.830833 0.634476 0.000000 O\n0.634476 0.830833 0.000000 O\n0.169168 0.169168 0.803643 O\n0.923976 0.398867 0.818738 O\n0.580129 0.105239 0.181262 O\n0.601134 0.419872 0.525110 O\n0.894762 0.076024 0.474890 O\n0.076024 0.894762 0.474890 O\n0.419872 0.601134 0.525110 O\n0.398867 0.923976 0.818738 O\n0.105239 0.580129 0.181262 O\n0.365525 0.365525 0.196357 O\n",
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"volume": 274.654007129604,
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"formula_full": "Sr2 Cu4 B4 O12",
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{
"id": "jvasp-24241",
"created_at": "2022-09-04T14:38:32.418633Z",
"updated_at": "2022-09-04T14:38:32.418650Z",
"structure_string": "K2 Li6 Pb2 O8\n1.0\n-5.945894 0.011567 -0.008287\n-0.178532 -5.976161 0.032738\n2.154909 1.967301 6.315576\nK Li Pb O\n2 6 2 8\ndirect\n0.510631 0.990885 0.250460 K\n0.489368 0.009115 0.749540 K\n0.051394 0.126934 0.906605 Li\n0.948605 0.873066 0.093395 Li\n0.681883 0.459196 0.153802 Li\n0.064498 0.165351 0.447043 Li\n0.935501 0.834649 0.552957 Li\n0.318116 0.540804 0.846199 Li\n0.241314 0.494525 0.295033 Pb\n0.758685 0.505475 0.704968 Pb\n0.359504 0.361582 0.566709 O\n0.879754 0.168000 0.633405 O\n0.120245 0.832000 0.366595 O\n0.656097 0.673791 0.973183 O\n0.343902 0.326209 0.026818 O\n0.065461 0.769228 0.835324 O\n0.934538 0.230772 0.164676 O\n0.640495 0.638418 0.433292 O\n",
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{
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"created_at": "2022-09-04T14:36:05.466509Z",
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"structure_string": "Sr2 Cu4 B4 O12\n1.0\n-4.551054 4.551054 3.314955\n4.551054 -4.551054 3.314955\n4.551054 4.551054 -3.314955\nSr Cu B O\n2 4 4 12\ndirect\n0.749999 0.749999 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.614050 0.885948 0.500000 Cu\n0.385949 0.114051 0.500000 Cu\n0.885948 0.385949 0.271897 Cu\n0.114051 0.614050 0.728102 Cu\n0.703973 0.203973 0.907946 B\n0.203973 0.296026 0.500000 B\n0.296026 0.796026 0.092053 B\n0.796026 0.703973 0.500000 B\n0.598030 0.098031 0.696061 O\n0.401969 0.901968 0.303938 O\n0.901968 0.598030 0.500000 O\n0.672006 0.353214 0.025221 O\n0.327993 0.646785 0.974779 O\n0.353214 0.327993 0.681207 O\n0.646785 0.672006 0.318792 O\n0.827992 0.853214 0.681207 O\n0.172007 0.146785 0.318792 O\n0.146785 0.827992 0.974779 O\n0.853214 0.172007 0.025221 O\n0.098031 0.401969 0.500000 O\n",
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{
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"structure_string": "Nb1 Ni3\n1.0\n3.339872 -0.000000 -1.466034\n-0.643514 3.277291 -1.466034\n0.007296 0.008868 4.554035\nNb Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Nb\n0.750000 0.250000 0.500002 Ni\n0.500000 0.500000 0.000001 Ni\n0.250001 0.750000 0.500002 Ni\n",
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