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{
"id": "jvasp-8598",
"created_at": "2022-09-04T14:36:39.132129Z",
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"structure_string": "Cu1 H4 O2 F2\n1.0\n3.151833 -0.621793 -0.883308\n-1.476247 5.120982 -0.302551\n-0.862004 0.336326 5.257294\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.992290 0.229803 0.554276 H\n0.992289 0.554277 0.229801 H\n0.007709 0.770198 0.445723 H\n0.007710 0.445724 0.770198 H\n-0.000000 0.739424 0.260575 O\n0.000001 0.260576 0.739424 O\n0.052244 0.762674 0.762674 F\n0.947755 0.237327 0.237326 F\n",
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{
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{
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"created_at": "2022-09-04T14:36:16.988434Z",
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"structure_string": "Cu1 H4 O2 F2\n1.0\n0.796663 0.000000 -3.236417\n-3.580249 -3.680937 1.458190\n-3.580249 3.680937 1.458190\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.007849 0.770248 0.445764 H\n0.007849 0.445764 0.770248 H\n0.992153 0.229753 0.554236 H\n0.992153 0.554236 0.229753 H\n0.000000 0.739436 0.260565 O\n0.000000 0.260565 0.739436 O\n0.947261 0.237214 0.237214 F\n0.052741 0.762787 0.762787 F\n",
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"volume": 76.7511637032062,
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"formula_full": "Cu1 H4 O2 F2",
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"formula_anonymous": "AB2C2D4",
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{
"id": "jvasp-46896",
"created_at": "2022-09-04T14:38:02.723060Z",
"updated_at": "2022-09-04T14:38:02.723078Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n5.995988 -0.000000 0.000000\n0.000000 5.995988 0.000000\n0.000000 0.000000 8.124287\nLi V O F\n4 4 4 12\ndirect\n0.245736 0.253912 0.385882 Li\n0.253912 0.754265 0.135882 Li\n0.746089 0.245736 0.635882 Li\n0.754265 0.746089 0.885882 Li\n0.014148 0.264445 0.016646 V\n0.264445 0.985853 0.766646 V\n0.735555 0.014148 0.266646 V\n0.985853 0.735555 0.516646 V\n0.776137 0.969333 0.476287 O\n0.969333 0.223863 0.226287 O\n0.030667 0.776137 0.726287 O\n0.223863 0.030667 0.976287 O\n0.787888 0.462961 0.960636 F\n0.015889 0.221196 0.759546 F\n0.212112 0.537039 0.460636 F\n0.220964 0.490726 0.021036 F\n0.221196 0.984112 0.509545 F\n0.462961 0.212112 0.710636 F\n0.490726 0.779036 0.771036 F\n0.509274 0.220964 0.271036 F\n0.537039 0.787888 0.210636 F\n0.778805 0.015889 0.009545 F\n0.779036 0.509274 0.521036 F\n0.984112 0.778805 0.259545 F\n",
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{
"id": "jvasp-61305",
"created_at": "2022-09-04T14:36:17.277896Z",
"updated_at": "2022-09-04T14:36:17.277917Z",
"structure_string": "Mg4 B2 Br2 N4\n1.0\n3.317800 4.600232 0.006977\n-3.317800 4.600232 0.006977\n0.000000 2.166813 6.120650\nMg B Br N\n4 2 2 4\ndirect\n0.345895 0.142988 0.335442 Mg\n0.857011 0.654104 0.164559 Mg\n0.654104 0.857011 0.664559 Mg\n0.142988 0.345895 0.835442 Mg\n0.112150 0.887849 0.750000 B\n0.887849 0.112150 0.250000 B\n0.630915 0.369084 0.750000 Br\n0.369084 0.630915 0.250000 Br\n0.266937 0.042307 0.678819 N\n0.957692 0.733062 0.821182 N\n0.733062 0.957692 0.321182 N\n0.042307 0.266937 0.178819 N\n",
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"volume": 186.7343581009528,
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"formula_full": "Mg4 B2 Br2 N4",
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"formula_anonymous": "ABC2D2",
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{
"id": "jvasp-17899",
"created_at": "2022-09-04T14:36:51.166476Z",
"updated_at": "2022-09-04T14:36:51.166501Z",
"structure_string": "Ca1 V1 F6\n1.0\n4.736614 0.117085 3.193899\n1.759400 4.399287 3.193899\n0.168407 0.117085 5.710353\nCa V F\n1 1 6\ndirect\n0.499999 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 V\n0.362271 0.080589 0.781312 F\n0.080588 0.781314 0.362270 F\n0.218687 0.637731 0.919411 F\n0.919411 0.218689 0.637729 F\n0.637728 0.919414 0.218687 F\n0.781311 0.362272 0.080588 F\n",
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{
"id": "jvasp-48892",
"created_at": "2022-09-04T14:35:52.641215Z",
"updated_at": "2022-09-04T14:35:52.641231Z",
"structure_string": "Li2 Cr1 P2 O8\n1.0\n2.417078 -4.186501 0.000000\n2.417078 4.186501 0.000000\n0.000000 -0.000000 7.053936\nLi Cr P O\n2 1 2 8\ndirect\n0.666667 0.333333 0.703004 Li\n0.333334 0.666667 0.296993 Li\n0.000000 0.000000 -0.000003 Cr\n0.666667 0.333333 0.234266 P\n0.333334 0.666667 0.765730 P\n0.348359 0.044434 0.156890 O\n0.666667 0.333333 0.445108 O\n0.955567 0.303925 0.156890 O\n0.696076 0.651642 0.156890 O\n0.303925 0.348357 0.843107 O\n0.044433 0.696076 0.843107 O\n0.333334 0.666667 0.554888 O\n0.651644 0.955568 0.843107 O\n",
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{
"id": "jvasp-57703",
"created_at": "2022-09-04T14:38:18.427222Z",
"updated_at": "2022-09-04T14:38:18.427241Z",
"structure_string": "K2 Al2 F8\n1.0\n5.053531 -0.000000 0.000000\n0.000000 5.053531 0.000000\n-0.000000 -0.000000 6.209296\nK Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.691170 0.191170 0.000000 F\n0.808830 0.691170 0.000000 F\n0.191170 0.308830 0.000000 F\n0.308830 0.808830 0.000000 F\n0.000000 0.000000 0.288193 F\n0.500000 0.500000 0.711807 F\n0.000000 0.000000 0.711807 F\n0.500000 0.500000 0.288193 F\n",
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},
{
"id": "jvasp-122529",
"created_at": "2022-09-04T14:38:53.511252Z",
"updated_at": "2022-09-04T14:38:53.511268Z",
"structure_string": "Cr4 O12\n1.0\n4.981675 -0.000000 0.000000\n0.000000 5.638322 0.000000\n0.000000 -0.000000 7.947155\nCr O\n4 12\ndirect\n0.941696 0.234974 0.250000 Cr\n0.441696 0.265026 0.750000 Cr\n0.558303 0.734974 0.250000 Cr\n0.058303 0.765026 0.750000 Cr\n0.126481 0.196832 0.088978 O\n0.126481 0.196832 0.411022 O\n0.817400 0.528760 0.250000 O\n0.317401 -0.028760 0.750000 O\n0.626481 0.303168 0.588978 O\n0.626481 0.303168 0.911023 O\n0.373519 0.696831 0.088978 O\n0.373519 0.696831 0.411022 O\n0.682598 0.028760 0.250000 O\n0.182599 0.471240 0.750000 O\n0.873518 0.803168 0.911023 O\n0.873518 0.803168 0.588978 O\n",
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{
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"structure_string": "K3 Mo1 F6\n1.0\n5.515206 -0.000000 3.184206\n1.838402 5.199786 3.184206\n-0.000000 -0.000000 6.368411\nK Mo F\n3 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Mo\n0.227489 0.772511 0.772511 F\n0.227489 0.772511 0.227490 F\n0.772511 0.227490 0.772511 F\n0.227489 0.227490 0.772511 F\n0.772511 0.227490 0.227490 F\n0.772511 0.772511 0.227490 F\n",
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{
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"created_at": "2022-09-04T14:37:19.085276Z",
"updated_at": "2022-09-04T14:37:19.085297Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.787768 0.000000 -0.000000\n-1.893883 5.528900 -0.000000\n-0.000000 -0.000000 11.503322\nCa Ti O\n2 4 10\ndirect\n0.903331 0.806656 0.750000 Ca\n0.096672 0.193344 0.250000 Ca\n0.205531 0.411063 0.596940 Ti\n0.794471 0.588938 0.403059 Ti\n0.794471 0.588938 0.096941 Ti\n0.205531 0.411063 0.903059 Ti\n0.713970 0.427939 0.250000 O\n0.286032 0.572062 0.750000 O\n0.238409 0.476816 0.076028 O\n0.761595 0.523185 0.923971 O\n0.761595 0.523185 0.576028 O\n0.238409 0.476816 0.423971 O\n0.054173 0.108344 0.619485 O\n0.945829 0.891655 0.380515 O\n0.054173 0.108344 0.880515 O\n0.945829 0.891655 0.119486 O\n",
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{
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]
}