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{
"id": "jvasp-123673",
"created_at": "2022-09-04T14:38:52.665037Z",
"updated_at": "2022-09-04T14:38:52.665074Z",
"structure_string": "Ir1 Se2\n1.0\n1.862071 -3.221516 -0.013289\n1.858880 3.219674 0.000000\n0.023154 -0.013368 5.162128\nIr Se\n1 2\ndirect\n0.000000 0.333338 0.166667 Ir\n0.665505 0.666082 0.422060 Se\n0.334494 0.000576 0.911273 Se\n",
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{
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"updated_at": "2022-09-04T14:38:52.670772Z",
"structure_string": "Hf1 Br1 N1\n1.0\n3.073005 0.000000 0.000000\n0.000000 5.324927 0.000000\n0.000000 0.000000 3.164483\nHf Br N\n1 1 1\ndirect\n0.000000 0.000000 0.319994 Hf\n0.499999 0.500000 0.319986 Br\n0.499999 0.000000 0.820018 N\n",
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{
"id": "jvasp-118065",
"created_at": "2022-09-04T14:38:52.670882Z",
"updated_at": "2022-09-04T14:38:52.670908Z",
"structure_string": "Sr2 H2 Cl2\n1.0\n4.090773 0.000000 -0.000000\n0.000000 4.090773 0.000000\n-0.000000 0.000000 6.959118\nSr H Cl\n2 2 2\ndirect\n0.000000 0.500000 0.798017 Sr\n0.500000 0.000000 0.201984 Sr\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.500000 0.000000 0.647687 Cl\n0.000000 0.500000 0.352314 Cl\n",
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{
"id": "jvasp-122067",
"created_at": "2022-09-04T14:38:52.674889Z",
"updated_at": "2022-09-04T14:38:52.674917Z",
"structure_string": "Tl8 Cu2 Te2 O12\n1.0\n5.750879 0.055614 1.706718\n0.552734 8.103026 3.394754\n-0.004599 0.031457 9.249604\nTl Cu Te O\n8 2 2 12\ndirect\n0.919960 0.110293 0.797741 Tl\n0.080039 0.889707 0.202259 Tl\n0.873882 0.254073 0.345412 Tl\n0.126118 0.745928 0.654588 Tl\n0.273080 0.390073 0.465863 Tl\n0.726919 0.609927 0.534136 Tl\n0.509285 0.923939 0.763050 Tl\n0.490714 0.076062 0.236950 Tl\n0.776065 0.444511 0.944281 Cu\n0.223935 0.555489 0.055718 Cu\n0.658711 0.668342 0.135487 Te\n0.341288 0.331658 0.864512 Te\n0.631126 0.256300 0.953457 O\n0.270321 0.108234 0.920510 O\n0.729678 0.891766 0.079489 O\n0.536944 0.347283 0.652413 O\n0.463055 0.652717 0.347586 O\n0.837126 0.665973 0.920070 O\n0.162873 0.334028 0.079929 O\n0.937794 0.574612 0.228585 O\n0.062205 0.425388 0.771414 O\n0.402553 0.560158 0.833286 O\n0.597446 0.439842 0.166714 O\n0.368874 0.743700 0.046543 O\n",
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"density_atomic": 0.0557852727118647,
"volume": 430.2210750848504,
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"formula_full": "Tl8 Cu2 Te2 O12",
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{
"id": "jvasp-120552",
"created_at": "2022-09-04T14:38:52.675740Z",
"updated_at": "2022-09-04T14:38:52.675770Z",
"structure_string": "Ag6 As2 O8\n1.0\n6.181730 -0.022281 -0.026897\n-0.026917 6.181711 -0.026897\n-0.022264 -0.022281 6.181748\nAg As O\n6 2 8\ndirect\n0.708572 0.006195 0.501785 Ag\n0.006195 0.501785 0.708571 Ag\n0.501784 0.708571 0.006194 Ag\n0.208572 0.001785 0.506195 Ag\n0.506195 0.208571 0.001784 Ag\n0.001785 0.506195 0.208571 Ag\n0.501309 0.501309 0.501309 As\n0.001309 0.001309 0.001309 As\n0.676838 0.342823 0.654485 O\n0.654485 0.676838 0.342822 O\n0.339096 0.339096 0.339095 O\n0.342823 0.654485 0.676837 O\n0.839096 0.839096 0.839095 O\n0.176838 0.154485 0.842823 O\n0.154485 0.842822 0.176837 O\n0.842823 0.176838 0.154484 O\n",
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{
"id": "jvasp-122890",
"created_at": "2022-09-04T14:38:52.678516Z",
"updated_at": "2022-09-04T14:38:52.678535Z",
"structure_string": "Sm3 Si1\n1.0\n1.903916 -3.297678 0.000000\n1.903916 3.297678 0.000000\n-0.000000 -0.000000 9.712564\nSm Si\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.193375 Sm\n0.666668 0.333334 0.806624 Sm\n0.000000 0.000000 0.000000 Si\n",
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"elements": [
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{
"id": "jvasp-117628",
"created_at": "2022-09-04T14:38:52.679264Z",
"updated_at": "2022-09-04T14:38:52.679302Z",
"structure_string": "Ba1 Si1 Te1\n1.0\n5.850989 2.596458 0.000000\n2.325802 5.963563 0.000000\n0.000000 0.000000 4.138883\nBa Si Te\n1 1 1\ndirect\n-0.206486 0.125258 0.000000 Ba\n0.490195 -0.178252 0.000000 Si\n0.087399 0.418948 0.000000 Te\n",
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{
"id": "jvasp-120219",
"created_at": "2022-09-04T14:38:52.681476Z",
"updated_at": "2022-09-04T14:38:52.681499Z",
"structure_string": "H1 Cl2\n1.0\n3.644531 0.000000 0.114280\n0.000000 2.640486 0.000000\n0.249253 0.000000 5.823836\nH Cl\n1 2\ndirect\n0.466746 0.000000 0.133325 H\n-0.312704 0.000000 -0.107895 Cl\n0.245957 0.000000 0.374570 Cl\n",
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{
"id": "jvasp-119749",
"created_at": "2022-09-04T14:38:52.683667Z",
"updated_at": "2022-09-04T14:38:52.683685Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n4.968608 -0.002472 -1.159946\n-0.194930 5.430150 -0.822464\n-0.019969 0.124452 11.293974\nLi V O F\n3 6 3 15\ndirect\n0.737425 0.352601 0.517939 Li\n0.932074 0.322454 0.812978 Li\n0.052201 0.475987 0.142722 Li\n-0.003115 0.993756 0.003649 V\n0.337772 0.342202 0.670951 V\n0.188357 0.167838 0.350510 V\n0.671480 0.665776 0.315237 V\n0.834114 0.837531 0.663779 V\n0.492165 0.503877 0.994637 V\n0.686397 0.584010 0.159299 O\n0.304083 0.420597 0.832463 O\n0.359818 0.252995 0.507210 O\n0.006657 0.866541 0.373684 F\n0.552778 0.048122 0.714378 F\n0.658057 0.800501 0.954500 F\n0.969554 0.111619 0.173330 F\n0.126662 0.633494 0.622009 F\n0.973357 0.155572 0.623442 F\n0.186900 0.690714 0.047109 F\n0.039740 0.947899 0.832814 F\n0.634813 0.714353 0.494477 F\n0.323419 0.215518 0.046332 F\n0.469031 0.968322 0.295894 F\n0.811850 0.310101 0.959766 F\n0.321382 0.466642 0.289637 F\n0.865246 0.367075 0.375605 F\n0.697585 0.526185 0.711542 F\n",
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{
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"created_at": "2022-09-04T14:38:52.687600Z",
"updated_at": "2022-09-04T14:38:52.687633Z",
"structure_string": "K2 Zn4 P4 O16\n1.0\n4.987811 -0.213422 -1.033397\n-2.954170 8.080975 -0.185662\n-0.102669 1.034670 9.058944\nK Zn P O\n2 4 4 16\ndirect\n0.530902 0.821707 0.687977 K\n0.469097 0.178293 0.312023 K\n0.714435 0.863143 0.141072 Zn\n0.285564 0.136857 0.858928 Zn\n0.235911 0.527636 0.283689 Zn\n0.764088 0.472364 0.716310 Zn\n0.099191 0.755353 0.970503 P\n0.900809 0.244647 0.029497 P\n0.102513 0.306512 0.582788 P\n0.897486 0.693488 0.417212 P\n0.187285 0.230313 0.015549 O\n0.075181 0.129949 0.650947 O\n0.924818 0.870051 0.349053 O\n0.350979 0.441060 0.685241 O\n0.649020 0.558939 0.314758 O\n0.812714 0.769687 0.984450 O\n0.850423 0.687859 0.579817 O\n0.813375 0.330968 0.574663 O\n0.049889 0.597457 0.883701 O\n0.950111 0.402543 0.116298 O\n0.186624 0.669031 0.425337 O\n0.734033 0.094912 0.121258 O\n0.708316 0.249112 0.871944 O\n0.291683 0.750888 0.128055 O\n0.149576 0.312141 0.420182 O\n0.265966 0.905087 0.878741 O\n",
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"structure_string": "H1 S3\n1.0\n5.077759 -0.515813 0.012576\n0.072604 -5.169705 -0.952361\n-0.886061 1.614962 -2.837479\nH S\n1 3\ndirect\n0.129883 0.165973 0.221783 H\n0.871697 0.250794 0.245094 S\n0.370610 0.714523 0.707361 S\n-0.027216 0.663453 0.489414 S\n",
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{
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"structure_string": "Li2 Eu2 W4 O16\n1.0\n5.879689 0.000000 0.000000\n0.000000 4.643190 1.938515\n0.000000 -0.068430 10.958898\nLi Eu W O\n2 2 4 16\ndirect\n0.756680 -0.000000 0.750000 Li\n0.243320 -0.000000 0.250000 Li\n0.298548 0.500000 0.750000 Eu\n0.701452 0.500000 0.250000 Eu\n0.818623 0.733972 0.520000 W\n0.181377 0.266028 0.480001 W\n0.818623 0.266028 0.980001 W\n0.181377 0.733972 0.020000 W\n0.367924 0.222761 0.359042 O\n0.632076 0.777239 0.640959 O\n0.075688 0.640514 0.383981 O\n0.924312 0.359486 0.616020 O\n0.075688 0.359486 0.116020 O\n0.924312 0.640514 0.883981 O\n0.622130 0.707010 0.398944 O\n0.110491 0.862043 0.593056 O\n0.622130 0.292990 0.101057 O\n0.377870 0.707010 0.898944 O\n0.632076 0.222761 0.859042 O\n0.889509 0.137957 0.406945 O\n0.110491 0.137957 0.906945 O\n0.889509 0.862043 0.093056 O\n0.377870 0.292990 0.601057 O\n0.367924 0.777239 0.140959 O\n",
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