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{
"id": "jvasp-44740",
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"structure_string": "Li3 Fe1 O1 F4\n1.0\n3.699352 0.000376 0.000232\n-1.849117 -4.831234 0.016401\n-1.849461 0.238085 -4.941144\nLi Fe O F\n3 1 1 4\ndirect\n0.574101 0.770566 0.441612 Li\n0.396756 0.243295 0.614189 Li\n0.756941 0.429226 0.148634 Li\n0.963525 0.997026 0.994019 Fe\n0.480723 0.028191 0.997231 O\n0.034224 0.790923 0.341512 F\n0.276398 0.372403 0.244364 F\n0.672160 0.608410 0.799885 F\n0.850031 0.144740 0.619301 F\n",
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{
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"structure_string": "Li1 Mn1 P1 O4\n1.0\n0.000000 4.825903 -0.000000\n2.412950 -2.412950 3.761581\n4.825903 -0.000000 0.000000\nLi Mn P O\n1 1 1 4\ndirect\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 P\n0.451534 0.264231 0.060983 O\n0.674788 0.735769 0.451534 O\n0.812697 0.264231 0.674788 O\n0.060983 0.735769 0.812697 O\n",
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{
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"created_at": "2022-09-04T14:38:11.399522Z",
"updated_at": "2022-09-04T14:38:11.399546Z",
"structure_string": "K2 Ho4 Cu2 S8\n1.0\n3.928993 0.000000 -0.000000\n-1.964497 6.666734 -0.000000\n-0.000000 0.000000 13.641571\nK Ho Cu S\n2 4 2 8\ndirect\n0.889322 0.778646 0.250000 K\n0.110677 0.221354 0.750000 K\n0.365929 0.731859 0.936442 Ho\n0.634069 0.268141 0.436442 Ho\n0.365929 0.731859 0.563558 Ho\n0.634069 0.268141 0.063558 Ho\n0.837966 0.675932 0.750000 Cu\n0.162033 0.324067 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264527 0.529057 0.110749 S\n0.735471 0.470943 0.889251 S\n0.433988 0.867977 0.750000 S\n0.264527 0.529057 0.389251 S\n0.566010 0.132022 0.250000 S\n0.735471 0.470943 0.610749 S\n",
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"formula_full": "K2 Ho4 Cu2 S8",
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{
"id": "jvasp-32431",
"created_at": "2022-09-04T14:38:05.591333Z",
"updated_at": "2022-09-04T14:38:05.591361Z",
"structure_string": "H26 C8 N2 F4\n1.0\n5.250422 0.000000 0.000000\n0.000000 6.403100 0.000000\n0.000000 0.000000 8.578212\nH C N F\n26 8 2 4\ndirect\n0.987897 0.750000 0.005255 H\n0.742673 0.891487 0.392184 H\n0.633642 0.250000 0.250000 H\n0.742673 0.891487 0.107816 H\n0.257327 0.108513 0.607816 H\n0.742673 0.608513 0.392184 H\n0.257327 0.391487 0.892184 H\n0.742673 0.608513 0.107816 H\n0.987897 0.750000 0.494745 H\n0.691261 0.439540 0.644725 H\n0.065381 0.078079 0.250000 H\n0.012102 0.250000 0.994745 H\n0.308739 0.939540 0.355275 H\n0.308739 0.939540 0.144725 H\n0.366358 0.750000 0.750000 H\n0.691261 0.060460 0.855275 H\n0.691261 0.060460 0.644725 H\n0.934619 0.921921 0.750000 H\n0.012102 0.250000 0.505254 H\n0.691261 0.439540 0.855275 H\n0.065381 0.421921 0.250000 H\n0.308739 0.560460 0.355275 H\n0.934619 0.578079 0.750000 H\n0.257327 0.391487 0.607816 H\n0.257327 0.108513 0.892184 H\n0.308739 0.560460 0.144725 H\n0.139526 0.250000 0.606612 C\n0.809465 0.441071 0.750000 C\n0.860474 0.750000 0.393388 C\n0.809465 0.058929 0.750000 C\n0.860474 0.750000 0.106612 C\n0.190535 0.941071 0.250000 C\n0.139526 0.250000 0.893388 C\n0.190535 0.558929 0.250000 C\n0.974984 0.250000 0.750000 N\n0.025016 0.750000 0.250000 N\n0.362704 0.750000 0.884539 F\n0.362704 0.750000 0.615461 F\n0.637295 0.250000 0.115461 F\n0.637295 0.250000 0.384539 F\n",
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{
"id": "jvasp-57300",
"created_at": "2022-09-04T14:38:17.316112Z",
"updated_at": "2022-09-04T14:38:17.316122Z",
"structure_string": "K4 Na2 Fe2 O6\n1.0\n6.303675 0.000000 -0.000000\n-3.151837 5.466502 0.000000\n0.000000 0.000000 6.690956\nK Na Fe O\n4 2 2 6\ndirect\n0.250000 0.000000 0.661571 K\n0.749999 0.000000 0.338429 K\n0.749999 0.500000 0.000000 K\n0.250000 0.500000 0.000000 K\n0.250000 0.500000 0.500000 Na\n0.749999 0.500000 0.500000 Na\n0.250000 0.000000 0.168254 Fe\n0.749999 0.000000 0.831747 Fe\n0.894930 0.289860 0.685051 O\n0.500000 0.000000 0.000000 O\n0.605068 0.710139 0.685051 O\n0.105069 0.710139 0.314950 O\n0.000000 0.000000 0.000000 O\n0.394930 0.289860 0.314950 O\n",
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"formula_anonymous": "ABC2D3",
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{
"id": "jvasp-59202",
"created_at": "2022-09-04T14:38:11.414907Z",
"updated_at": "2022-09-04T14:38:11.414927Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n-5.170976 0.025757 -0.020399\n0.640064 6.900309 0.053779\n-0.184159 -3.090800 -7.384037\nLi Mn P O\n2 2 4 14\ndirect\n0.704607 0.147504 0.988784 Li\n0.265439 0.931254 0.441082 Li\n0.790165 0.756500 0.728339 Mn\n0.225366 0.220800 0.270377 Mn\n0.236884 0.120684 0.830404 P\n0.284915 0.458976 0.696404 P\n0.745789 0.872514 0.171374 P\n0.721117 0.530703 0.302659 P\n0.328883 0.145744 0.020438 O\n0.411631 0.994174 0.682918 O\n0.176916 0.275015 0.521347 O\n0.579266 0.504191 0.677504 O\n0.544860 0.990153 0.301823 O\n0.692226 0.858577 0.978799 O\n0.945791 0.045992 0.795739 O\n0.853147 0.699853 0.473908 O\n0.863721 0.332679 0.214695 O\n0.253003 0.362661 0.850015 O\n0.134795 0.650502 0.762415 O\n0.730766 0.630759 0.151260 O\n0.031167 0.953539 0.229262 O\n0.430013 0.484728 0.332117 O\n",
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{
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"created_at": "2022-09-04T14:38:17.400949Z",
"updated_at": "2022-09-04T14:38:17.400979Z",
"structure_string": "Zr1 Ti1 C1 N1\n1.0\n3.041839 -0.000578 4.567602\n1.381309 2.710123 4.567602\n-0.000943 -0.000578 5.487783\nZr Ti C N\n1 1 1 1\ndirect\n0.250187 0.250186 0.250187 Zr\n0.748782 0.748777 0.748779 Ti\n0.005499 0.005499 0.005499 C\n0.495536 0.495533 0.495534 N\n",
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{
"id": "jvasp-47093",
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"updated_at": "2022-09-04T14:38:10.535241Z",
"structure_string": "Li3 V3 O5 F3\n1.0\n-0.004083 4.142378 4.142378\n4.150464 -0.001952 4.140386\n4.150464 4.140386 -0.001952\nLi V O F\n3 3 5 3\ndirect\n0.266296 0.249528 0.249528 Li\n0.132758 0.620795 0.620795 Li\n0.622136 0.622577 0.622577 Li\n0.986250 0.007305 0.007305 V\n0.619451 0.622697 0.110411 V\n0.619451 0.110411 0.622697 V\n0.408301 0.381360 0.381360 O\n0.864589 0.887307 0.382038 O\n0.864589 0.382038 0.887307 O\n0.849818 0.882246 0.882246 O\n0.376545 0.877024 0.877024 O\n0.861604 0.378554 0.378554 F\n0.389118 0.854069 0.374087 F\n0.389118 0.374087 0.854069 F\n",
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{
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"created_at": "2022-09-04T14:38:28.614357Z",
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"structure_string": "U2 Cu2 P2 O2\n1.0\n3.762306 0.000000 0.000000\n0.000000 3.762306 -0.000000\n0.000000 0.000000 8.300150\nU Cu P O\n2 2 2 2\ndirect\n0.500001 0.000000 0.336746 U\n0.000000 0.500001 0.663254 U\n0.500001 0.500001 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500001 0.179436 P\n0.500001 0.000000 0.820564 P\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.500000 O\n",
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{
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"structure_string": "Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n",
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{
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"created_at": "2022-09-04T14:38:06.771009Z",
"updated_at": "2022-09-04T14:38:06.771030Z",
"structure_string": "Li4 Co2 Ni4 O12\n1.0\n4.894567 0.032395 -0.001419\n2.461133 4.279402 -0.002378\n0.001725 0.004318 9.587084\nLi Co Ni O\n4 2 4 12\ndirect\n0.333316 0.247141 0.743921 Li\n0.666601 0.251706 0.243914 Li\n0.667032 0.580312 0.743922 Li\n0.332908 0.918533 0.243922 Li\n-0.000232 0.917156 -0.005028 Co\n0.000013 0.581724 0.494969 Co\n0.330520 0.254316 0.003006 Ni\n0.330777 0.913808 0.503001 Ni\n0.669255 0.244563 0.502997 Ni\n0.668998 0.585078 0.003005 Ni\n0.663406 0.253985 0.894424 O\n0.665018 -0.070493 0.105325 O\n0.334570 0.594711 0.105325 O\n0.334821 0.569361 0.605319 O\n0.336331 0.244906 0.394423 O\n0.000059 0.264539 0.605619 O\n0.336105 0.917659 0.894440 O\n-0.000269 0.579032 0.896057 O\n-0.000216 0.234310 0.105625 O\n0.663620 0.581252 0.394431 O\n-0.000014 0.919873 0.396050 O\n0.665272 0.904138 0.605322 O\n",
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{
"id": "jvasp-30323",
"created_at": "2022-09-04T14:38:05.229471Z",
"updated_at": "2022-09-04T14:38:05.229497Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n7.825721 0.000000 0.348922\n0.000000 6.140456 0.000000\n0.352792 0.000000 5.020548\nMn C S O\n2 2 2 14\ndirect\n0.306785 0.750000 0.792575 Mn\n0.693215 0.250000 0.207425 Mn\n0.019344 0.750000 0.712248 C\n0.980656 0.250000 0.287751 C\n0.416911 0.250000 0.738893 S\n0.583088 0.750000 0.261106 S\n0.840006 0.250000 0.470625 O\n0.696514 0.938452 0.190467 O\n0.696514 0.561549 0.190467 O\n0.567443 0.250000 0.886995 O\n0.523299 0.750000 0.551611 O\n0.476700 0.250000 0.448388 O\n0.303486 0.061548 0.809533 O\n0.303486 0.438452 0.809533 O\n0.920091 0.250000 0.047454 O\n0.159994 0.750000 0.529374 O\n0.079909 0.750000 0.952546 O\n0.128818 0.250000 0.333021 O\n0.432557 0.750000 0.113005 O\n0.871181 0.750000 0.666979 O\n",
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]
}