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{
"id": "jvasp-117090",
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"updated_at": "2022-09-04T14:38:48.236435Z",
"structure_string": "Na8 Fe4 O8\n1.0\n5.665247 -0.461399 -0.077051\n-1.340016 7.767774 -0.127321\n-0.091698 -0.111591 6.028728\nNa Fe O\n8 4 8\ndirect\n0.502076 0.016380 0.249502 Na\n0.013203 0.036492 0.253178 Na\n0.986696 0.963535 0.746837 Na\n0.497783 0.983582 0.750590 Na\n0.896416 0.330821 0.876532 Na\n0.350857 0.312887 0.632459 Na\n0.649283 0.687146 0.367596 Na\n0.103788 0.669180 0.123430 Na\n0.177151 0.638475 0.593807 Fe\n0.822723 0.361472 0.406071 Fe\n0.608008 0.640232 0.864864 Fe\n0.392114 0.359725 0.135241 Fe\n0.808035 0.146378 0.538100 O\n0.293246 0.145015 0.970378 O\n0.706636 0.854988 0.029651 O\n0.191791 0.853614 0.461901 O\n0.739720 0.469720 0.143091 O\n0.221943 0.467691 0.353379 O\n0.778136 0.532293 0.646604 O\n0.260386 0.530368 0.856793 O\n",
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{
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"structure_string": "Na2 Zn2 Se2\n1.0\n4.897806 0.000000 0.000000\n-0.000000 4.897806 0.000000\n0.000000 0.000000 6.082682\nNa Zn Se\n2 2 2\ndirect\n0.000000 0.500000 0.169966 Na\n0.500000 0.000000 0.830033 Na\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.695163 Se\n0.500000 0.000000 0.304836 Se\n",
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{
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"updated_at": "2022-09-04T14:38:48.235912Z",
"structure_string": "Li6 Co6 Sb2 O16\n1.0\n5.898931 0.018508 0.045183\n-0.002951 5.846345 -0.007123\n0.033449 0.002313 8.313443\nLi Co Sb O\n6 6 2 16\ndirect\n0.500003 0.999988 -0.000002 Li\n-0.000002 0.500012 0.500002 Li\n0.750088 0.250018 0.749966 Li\n0.249912 0.749983 0.250034 Li\n0.250095 0.249992 0.249946 Li\n0.749905 0.750009 0.750053 Li\n0.749997 0.750011 0.249997 Co\n0.249981 0.749986 0.749993 Co\n0.250003 0.249990 0.750002 Co\n0.500000 -0.000002 0.500002 Co\n-0.000000 0.500002 -0.000002 Co\n0.750019 0.250015 0.250007 Co\n0.000002 0.000001 -0.000001 Sb\n0.499998 0.499999 0.500000 Sb\n0.267542 0.250451 0.507815 O\n0.266700 0.749928 0.508302 O\n0.766723 0.249962 0.008317 O\n0.732457 0.749537 0.492218 O\n0.232473 0.249533 0.992189 O\n0.767530 0.750480 0.007778 O\n0.483583 0.500740 0.741073 O\n0.531742 0.000202 0.265912 O\n0.016398 0.999256 0.758930 O\n0.516390 0.499213 0.258931 O\n0.968281 0.499841 0.234090 O\n0.468266 0.999788 0.734094 O\n0.031712 0.500170 0.765904 O\n0.733303 0.250065 0.491693 O\n0.983631 0.000792 0.241066 O\n0.233275 0.750046 0.991687 O\n",
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"density_atomic": 0.10463937365115458,
"volume": 286.6989638146499,
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"formula_full": "Li6 Co6 Sb2 O16",
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{
"id": "jvasp-117137",
"created_at": "2022-09-04T14:38:48.234641Z",
"updated_at": "2022-09-04T14:38:48.234672Z",
"structure_string": "Zr10 Sn6 As2\n1.0\n8.676947 0.000000 0.000000\n-4.338474 7.514456 0.000000\n-0.000000 -0.000000 5.966412\nZr Sn As\n10 6 2\ndirect\n0.666667 0.333334 -0.000000 Zr\n0.000001 0.738058 0.250000 Zr\n0.261942 0.261942 0.250000 Zr\n0.000000 0.261942 0.750000 Zr\n0.261942 -0.000000 0.750000 Zr\n0.738058 -0.000000 0.250000 Zr\n0.666667 0.333334 0.500000 Zr\n0.333334 0.666667 0.500000 Zr\n0.333334 0.666667 -0.000000 Zr\n0.738059 0.738058 0.750000 Zr\n0.394819 0.394819 0.750000 Sn\n0.605182 -0.000000 0.750000 Sn\n0.000000 0.605182 0.750000 Sn\n0.605182 0.605182 0.250000 Sn\n0.394819 -0.000000 0.250000 Sn\n0.000000 0.394819 0.250000 Sn\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n",
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{
"id": "jvasp-111354",
"created_at": "2022-09-04T14:38:48.232360Z",
"updated_at": "2022-09-04T14:38:48.232383Z",
"structure_string": "Mn1 Co1 Ni1 Sn1\n1.0\n3.682743 0.000000 2.126232\n1.227581 3.472123 2.126233\n0.000000 -0.000000 4.252466\nMn Co Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.749999 0.749999 0.750000 Co\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:38:48.227639Z",
"updated_at": "2022-09-04T14:38:48.227671Z",
"structure_string": "Pb1 Br1 Cl1\n1.0\n5.432090 0.000000 0.000000\n-2.716045 4.704328 -0.000000\n0.000000 0.000000 3.418015\nPb Br Cl\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.000000 Cl\n",
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{
"id": "jvasp-110725",
"created_at": "2022-09-04T14:38:48.225742Z",
"updated_at": "2022-09-04T14:38:48.225768Z",
"structure_string": "Cu1 I2\n1.0\n5.233325 -0.000000 0.000000\n0.000000 5.233325 0.000000\n0.000000 -0.000000 4.204480\nCu I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n",
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{
"id": "jvasp-117123",
"created_at": "2022-09-04T14:38:48.222838Z",
"updated_at": "2022-09-04T14:38:48.222866Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.880388 0.033331 -0.661065\n-1.873085 5.242385 -1.364040\n0.034026 0.002561 6.385034\nLi Mn Co O\n6 2 2 10\ndirect\n0.813042 0.597976 0.106981 Li\n0.605900 0.202978 0.696884 Li\n0.000000 -0.000000 0.500000 Li\n0.186961 0.402025 0.893018 Li\n0.394102 0.797023 0.303115 Li\n0.000001 0.500000 0.500000 Li\n0.599187 0.699234 0.699174 Mn\n0.400815 0.300767 0.300826 Mn\n0.800221 0.100693 0.101086 Co\n0.199782 0.899307 0.898913 Co\n0.103811 0.423525 0.196982 O\n0.896191 0.576475 0.803017 O\n0.684736 0.152446 0.378261 O\n0.100313 0.968480 0.189891 O\n0.324589 0.362859 0.592676 O\n0.499608 0.767791 0.986199 O\n0.675414 0.637142 0.407324 O\n0.500395 0.232209 0.013800 O\n0.899689 0.031521 0.810108 O\n0.315267 0.847554 0.621738 O\n",
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{
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"created_at": "2022-09-04T14:38:48.221941Z",
"updated_at": "2022-09-04T14:38:48.221969Z",
"structure_string": "Sr6 Zr6 N10\n1.0\n5.908171 0.008828 -1.194319\n-2.515188 7.449002 -2.904621\n0.028110 -0.035135 9.021639\nSr Zr N\n6 6 10\ndirect\n0.746612 0.438958 0.591817 Sr\n0.253387 0.561042 0.408184 Sr\n0.645801 0.800642 0.898589 Sr\n0.354199 0.199358 0.101412 Sr\n0.728857 0.687080 0.253361 Sr\n0.271142 0.312921 0.746640 Sr\n0.891442 0.132783 0.297614 Zr\n0.332124 0.013292 0.358981 Zr\n0.108557 0.867218 0.702387 Zr\n0.123589 0.684122 0.005614 Zr\n0.876410 0.315879 0.994387 Zr\n0.667876 0.986708 0.641019 Zr\n0.180700 0.666295 0.776528 N\n0.995282 0.093601 0.843779 N\n0.004717 0.906399 0.156222 N\n0.731040 0.737493 0.562928 N\n0.268960 0.262508 0.437072 N\n0.763872 0.502117 0.913325 N\n0.236128 0.497884 0.086675 N\n0.271320 0.899055 0.524413 N\n0.728680 0.100945 0.475587 N\n0.819300 0.333705 0.223472 N\n",
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{
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"created_at": "2022-09-04T14:38:48.221631Z",
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"structure_string": "La4 Cu4 I2\n1.0\n4.262148 -0.000000 0.000000\n-2.131075 3.691128 0.000000\n0.000000 0.000000 17.346782\nLa Cu I\n4 4 2\ndirect\n0.000000 0.000000 0.106344 La\n0.000000 0.000000 0.893656 La\n0.000000 0.000000 0.606344 La\n0.000000 0.000000 0.393656 La\n0.333334 0.666667 0.500915 Cu\n0.666667 0.333334 0.499085 Cu\n0.666667 0.333334 0.000915 Cu\n0.333334 0.666667 0.999085 Cu\n0.333334 0.666667 0.250000 I\n0.666667 0.333334 0.750000 I\n",
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{
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"created_at": "2022-09-04T14:38:48.220266Z",
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"structure_string": "Li8 Lu8 Sn8\n1.0\n9.235095 0.000000 0.000000\n-4.617548 7.997826 0.000000\n-0.000000 0.000000 7.075681\nLi Lu Sn\n8 8 8\ndirect\n0.166810 0.333621 0.287909 Li\n0.166810 0.833190 0.287909 Li\n0.666378 0.833190 0.287909 Li\n0.833189 0.666379 0.787909 Li\n0.833189 0.166810 0.787909 Li\n0.333621 0.166810 0.787909 Li\n0.333333 0.666667 0.678001 Li\n0.666666 0.333333 0.178001 Li\n0.000000 0.000000 -0.000611 Lu\n0.000000 0.000000 0.499389 Lu\n0.022282 0.511141 0.993376 Lu\n0.488859 0.511141 0.993376 Lu\n0.488859 0.977718 0.993376 Lu\n0.977717 0.488859 0.493376 Lu\n0.511141 0.488859 0.493376 Lu\n0.511141 0.022282 0.493376 Lu\n0.166684 0.333369 0.730933 Sn\n0.166684 0.833316 0.730933 Sn\n0.666631 0.833316 0.730933 Sn\n0.833315 0.666631 0.230933 Sn\n0.833315 0.166684 0.230933 Sn\n0.333369 0.166684 0.230933 Sn\n0.333333 0.666667 0.256954 Sn\n0.666666 0.333333 0.756954 Sn\n",
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{
"id": "jvasp-116468",
"created_at": "2022-09-04T14:38:48.216349Z",
"updated_at": "2022-09-04T14:38:48.216365Z",
"structure_string": "Dy2 Ga8 Co1\n1.0\n4.230971 -0.000000 0.000000\n0.000000 4.230971 0.000000\n-0.000000 -0.000000 11.117439\nDy Ga Co\n2 8 1\ndirect\n0.000000 0.000000 0.694623 Dy\n0.000000 0.000000 0.305377 Dy\n0.500000 0.000000 0.883880 Ga\n-0.000000 0.500000 0.883880 Ga\n0.500000 0.000000 0.116120 Ga\n-0.000000 0.500000 0.116120 Ga\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.695601 Ga\n0.500000 0.500000 0.304399 Ga\n0.000000 0.000000 0.000000 Co\n",
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]
}