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{
"id": "jvasp-41179",
"created_at": "2022-09-04T14:38:14.088764Z",
"updated_at": "2022-09-04T14:38:14.088779Z",
"structure_string": "Mg2 Ag1 Pt1\n1.0\n-0.000000 3.230018 3.230018\n3.230018 0.000000 3.230018\n3.230018 3.230018 -0.000000\nMg Ag Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pt\n",
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{
"id": "jvasp-17457",
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"structure_string": "Ba2 Mn3 Sb2 O2\n1.0\n4.059979 0.000000 -0.834982\n-0.171724 4.056346 -0.834982\n0.189065 0.197238 11.207326\nBa Mn Sb O\n2 3 2 2\ndirect\n0.585282 0.585282 0.170563 Ba\n0.414718 0.414719 0.829438 Ba\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750001 0.500000 Mn\n0.175874 0.175874 0.351749 Sb\n0.824126 0.824127 0.648252 Sb\n0.000001 0.500001 0.000000 O\n0.500000 -0.000000 0.000000 O\n",
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"formula_full": "Ba2 Mn3 Sb2 O2",
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{
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"updated_at": "2022-09-04T14:38:14.096680Z",
"structure_string": "K4 Zn6 O8\n1.0\n5.674155 -0.005732 -1.191966\n-0.523962 5.844879 -2.522343\n-0.040679 -0.009710 8.073541\nK Zn O\n4 6 8\ndirect\n0.515707 0.764486 0.764037 K\n0.984295 0.000450 0.235963 K\n0.484294 0.235515 0.235964 K\n0.015706 -0.000449 0.764036 K\n0.584640 0.807180 0.380711 Zn\n0.415361 0.192820 0.619290 Zn\n0.915361 0.426469 0.619290 Zn\n0.750001 0.478977 0.000000 Zn\n0.250000 0.521024 0.000000 Zn\n0.084640 0.573532 0.380711 Zn\n0.717098 0.139918 0.531808 O\n0.955561 0.626288 0.886499 O\n0.544441 0.739788 0.113501 O\n0.044441 0.373713 0.113501 O\n0.455560 0.260212 0.886499 O\n0.282903 0.860083 0.468192 O\n0.217097 0.391890 0.531808 O\n0.782904 0.608110 0.468192 O\n",
"nsites": 18,
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"O"
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"formula_full": "K4 Zn6 O8",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 15
},
{
"id": "jvasp-17967",
"created_at": "2022-09-04T14:38:14.099778Z",
"updated_at": "2022-09-04T14:38:14.099805Z",
"structure_string": "Sr2 Pb2\n1.0\n4.669600 -0.000000 0.000000\n0.000000 4.683063 -1.921472\n-0.000000 -0.016458 6.627468\nSr Pb\n2 2\ndirect\n0.250000 0.867064 0.734131 Sr\n0.750000 0.132935 0.265870 Sr\n0.250000 0.586034 0.172069 Pb\n0.750000 0.413965 0.827931 Pb\n",
"nsites": 4,
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"elements": [
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"density": 6.762720601556639,
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"volume": 144.78200607676303,
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"formula_full": "Sr2 Pb2",
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"spacegroup": 63
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{
"id": "jvasp-17882",
"created_at": "2022-09-04T14:38:14.100673Z",
"updated_at": "2022-09-04T14:38:14.100695Z",
"structure_string": "Zr3 Sn3 Ir3\n1.0\n3.681477 -6.376506 0.000000\n3.681477 6.376506 0.000000\n-0.000000 0.000000 3.749043\nZr Sn Ir\n3 3 3\ndirect\n0.395071 0.395071 0.500000 Zr\n0.604930 0.000000 0.500000 Zr\n0.000000 0.604930 0.500000 Zr\n0.000000 0.267547 0.000000 Sn\n0.267547 0.000000 0.000000 Sn\n0.732454 0.732454 0.000000 Sn\n0.666667 0.333333 0.000000 Ir\n0.333333 0.666667 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 9,
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"volume": 176.0172702714317,
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"formula_full": "Zr3 Sn3 Ir3",
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{
"id": "jvasp-9924",
"created_at": "2022-09-04T14:38:14.112203Z",
"updated_at": "2022-09-04T14:38:14.112224Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n3.309604 0.000000 0.000000\n-1.654802 5.483317 0.000000\n0.000000 -0.000000 10.944969\nCa Sn O\n2 4 8\ndirect\n0.387227 0.774455 0.750000 Ca\n0.612772 0.225546 0.250000 Ca\n0.868819 0.737639 0.073792 Sn\n0.131181 0.262362 0.926208 Sn\n0.868819 0.737639 0.426208 Sn\n0.131181 0.262362 0.573792 Sn\n0.227630 0.455260 0.386672 O\n0.772370 0.544741 0.613328 O\n0.772370 0.544741 0.886672 O\n0.227630 0.455260 0.113328 O\n0.961125 0.922251 0.250000 O\n0.038875 0.077749 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 14,
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"elements": [
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"density": 5.709923411379055,
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"volume": 198.6250056320981,
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"formula_full": "Ca2 Sn4 O8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-30721",
"created_at": "2022-09-04T14:38:14.116863Z",
"updated_at": "2022-09-04T14:38:14.116878Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.970145 -0.000105 -0.000001\n-0.000094 6.141812 -0.000002\n0.000028 0.000029 11.169373\nMg Sn O\n4 8 16\ndirect\n0.935038 0.249996 0.749999 Mg\n0.064962 0.750002 0.249998 Mg\n0.234505 0.250007 0.249994 Mg\n0.765495 0.749991 0.749995 Mg\n0.999889 0.499999 0.000014 Sn\n0.000109 -0.000001 0.500014 Sn\n0.000109 0.500001 0.500015 Sn\n0.999890 0.000001 0.000014 Sn\n0.597980 0.249987 0.549749 Sn\n0.402022 0.750010 0.049746 Sn\n0.402212 0.750010 0.450191 Sn\n0.597788 0.249988 0.950193 Sn\n0.782041 0.495276 0.632291 O\n0.217962 0.995289 0.132290 O\n0.218126 0.504712 0.367707 O\n0.217961 0.504724 0.132290 O\n0.218127 0.995300 0.367707 O\n0.781873 0.004700 0.867708 O\n0.834863 0.249993 0.079020 O\n0.885457 0.749996 0.102477 O\n0.164886 0.750006 0.920975 O\n0.165140 0.750005 0.579018 O\n0.114375 0.250005 0.897569 O\n0.114543 0.250004 0.602476 O\n0.782040 0.004708 0.632291 O\n0.885626 0.749994 0.397571 O\n0.835113 0.249993 0.420978 O\n0.781872 0.495285 0.867709 O\n",
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"volume": 478.15326511117314,
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"formula_full": "Mg4 Sn8 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 59
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{
"id": "jvasp-51743",
"created_at": "2022-09-04T14:38:14.121156Z",
"updated_at": "2022-09-04T14:38:14.121174Z",
"structure_string": "Li8 H6 Cl2 O6\n1.0\n0.000000 5.352658 -0.068893\n7.300702 0.000000 0.000000\n0.000000 -0.390596 -6.130747\nLi H Cl O\n8 6 2 6\ndirect\n0.069679 0.750000 0.916117 Li\n0.930321 0.250000 0.083883 Li\n0.395820 0.750000 0.666388 Li\n0.604180 0.250000 0.333612 Li\n0.649200 0.516212 0.855478 Li\n0.350799 0.016212 0.144522 Li\n0.350799 0.483788 0.144522 Li\n0.649200 0.983788 0.855478 Li\n0.813685 0.957094 0.240026 H\n0.186315 0.457094 0.759974 H\n0.186315 0.042906 0.759974 H\n0.813685 0.542906 0.240026 H\n0.159185 0.250000 0.393009 H\n0.840815 0.750000 0.606991 H\n0.168741 0.750000 0.321517 Cl\n0.831258 0.250000 0.678483 Cl\n0.753202 0.750000 0.742929 O\n0.246797 0.250000 0.257071 O\n0.286995 0.547385 0.842207 O\n0.713004 0.047385 0.157793 O\n0.713004 0.452615 0.157793 O\n0.286995 0.952615 0.842207 O\n",
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"formula_full": "Li8 H6 Cl2 O6",
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{
"id": "jvasp-11122",
"created_at": "2022-09-04T14:38:14.122766Z",
"updated_at": "2022-09-04T14:38:14.122792Z",
"structure_string": "Rb2 U2 Ag2 Se6\n1.0\n4.224023 0.000000 0.000000\n-2.112011 7.477188 -0.000000\n0.000000 0.000000 10.849419\nRb U Ag Se\n2 2 2 6\ndirect\n0.253611 0.507222 0.250000 Rb\n0.746389 0.492779 0.750000 Rb\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.456088 0.912177 0.750000 Ag\n0.543912 0.087824 0.250000 Ag\n0.372587 0.745174 0.539287 Se\n0.627413 0.254826 0.460713 Se\n0.627413 0.254826 0.039287 Se\n0.065306 0.130611 0.750000 Se\n0.934694 0.869389 0.250000 Se\n0.372587 0.745174 0.960713 Se\n",
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"volume": 342.66603265148063,
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"formula_full": "Rb2 U2 Ag2 Se6",
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"spacegroup": 63
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{
"id": "jvasp-43720",
"created_at": "2022-09-04T14:38:14.124558Z",
"updated_at": "2022-09-04T14:38:14.124581Z",
"structure_string": "Li4 Fe2 O4 F2\n1.0\n5.032151 -0.041969 -0.001430\n1.541425 4.819793 0.000858\n0.772138 2.408463 4.493815\nLi Fe O F\n4 2 4 2\ndirect\n0.500572 0.998599 0.498744 Li\n0.000574 0.498595 0.498704 Li\n0.500597 0.669110 0.157680 Li\n0.500611 0.328030 0.839807 Li\n0.000605 0.808217 0.879414 Fe\n0.000595 0.188919 0.118017 Fe\n0.765496 0.589338 0.834716 O\n0.235701 0.071813 0.834704 O\n0.235688 0.407819 0.162708 O\n0.765500 0.925342 0.162710 O\n0.742576 0.252054 0.498722 F\n0.258607 0.745102 0.498709 F\n",
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{
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"created_at": "2022-09-04T14:38:14.127966Z",
"updated_at": "2022-09-04T14:38:14.127993Z",
"structure_string": "Rb2 Li1 V1 Cl6\n1.0\n6.932586 -0.000000 0.000000\n-3.466293 6.003796 0.000000\n-0.000000 -0.000000 5.932204\nRb Li V Cl\n2 1 1 6\ndirect\n0.333334 0.666667 0.251603 Rb\n0.666667 0.333334 0.748397 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.838278 0.161723 0.264347 Cl\n0.161724 0.838278 0.735653 Cl\n0.838278 0.676554 0.264347 Cl\n0.161723 0.323446 0.735653 Cl\n0.323446 0.161723 0.264347 Cl\n0.676555 0.838278 0.735653 Cl\n",
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{
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"created_at": "2022-09-04T14:38:14.132335Z",
"updated_at": "2022-09-04T14:38:14.132353Z",
"structure_string": "U1 As1\n1.0\n3.540352 0.000000 2.044023\n1.180117 3.337876 2.044023\n0.000000 0.000000 4.088046\nU As\n1 1\ndirect\n0.500000 0.500001 0.500000 U\n0.000000 0.000000 0.000000 As\n",
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}
]
}