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{
"id": "jvasp-119033",
"created_at": "2022-09-04T14:38:52.785002Z",
"updated_at": "2022-09-04T14:38:52.785030Z",
"structure_string": "Li2 La2 C4 N8\n1.0\n3.763874 -0.000000 0.000000\n0.000000 5.331424 1.064423\n-0.000000 -0.055250 10.162836\nLi La C N\n2 2 4 8\ndirect\n0.749999 0.404647 0.353808 Li\n0.250000 0.595352 0.646192 Li\n0.250000 0.017525 0.193442 La\n0.749999 0.982474 0.806559 La\n0.749999 0.573942 0.109058 C\n0.250000 0.426058 0.890942 C\n0.749999 0.779876 0.472927 C\n0.250000 0.220123 0.527073 C\n0.749999 0.349101 0.158608 N\n0.250000 0.650899 0.841392 N\n0.250000 0.198070 0.934551 N\n0.749999 0.801930 0.065449 N\n0.250000 0.244633 0.404774 N\n0.749999 0.755366 0.595226 N\n0.749999 0.791647 0.349184 N\n0.250000 0.208353 0.650816 N\n",
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{
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"structure_string": "Sr2 Si14 N20\n1.0\n6.775197 0.000000 0.000000\n0.000000 6.617117 -1.910175\n0.000000 -0.007902 9.685051\nSr Si N\n2 14 20\ndirect\n0.947620 0.050361 0.336392 Sr\n0.052381 0.050362 0.836392 Sr\n0.973245 0.647391 0.983901 Si\n0.376072 0.149803 0.190068 Si\n0.973882 0.460103 0.671894 Si\n0.629637 0.515433 0.312154 Si\n0.364849 0.333683 0.506465 Si\n0.619379 0.703479 0.616071 Si\n0.605290 0.891070 0.926158 Si\n0.370363 0.515434 0.812154 Si\n0.623928 0.149803 0.690068 Si\n0.026756 0.647391 0.483901 Si\n0.380622 0.703479 0.116071 Si\n0.394711 0.891070 0.426158 Si\n0.026119 0.460102 0.171894 Si\n0.635151 0.333683 0.006465 Si\n0.501605 0.712827 0.775619 N\n0.415523 0.295527 0.675008 N\n0.538302 0.500871 0.476013 N\n0.117216 0.554033 0.827811 N\n0.870432 0.681253 0.635899 N\n0.882784 0.554033 0.327811 N\n0.835168 0.846680 0.979329 N\n0.617600 0.112018 0.866379 N\n0.844835 0.250983 0.668218 N\n0.129569 0.681253 0.135899 N\n0.584478 0.295527 0.175008 N\n0.498395 0.712827 0.275619 N\n0.155165 0.250983 0.168218 N\n0.422028 0.920274 0.060895 N\n0.868678 0.431917 0.022423 N\n0.382400 0.112018 0.366379 N\n0.461699 0.500871 0.976013 N\n0.164833 0.846680 0.479329 N\n0.577973 0.920274 0.560895 N\n0.131322 0.431917 0.522423 N\n",
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"formula_full": "Sr2 Si14 N20",
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"spacegroup": 7
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{
"id": "jvasp-123472",
"created_at": "2022-09-04T14:38:54.772726Z",
"updated_at": "2022-09-04T14:38:54.772750Z",
"structure_string": "Ce1 U3\n1.0\n2.857793 0.000000 0.000000\n0.000000 6.011878 0.000000\n0.000000 0.000000 5.004696\nCe U\n1 3\ndirect\n0.000000 0.094825 0.750001 Ce\n0.500000 0.411276 0.250000 U\n0.500000 0.602161 0.750001 U\n0.000000 0.891739 0.250000 U\n",
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{
"id": "jvasp-109576",
"created_at": "2022-09-04T14:38:28.036145Z",
"updated_at": "2022-09-04T14:38:28.036164Z",
"structure_string": "Nb2 Cr1 Ru1\n1.0\n3.845856 0.000000 2.220406\n1.281952 3.625908 2.220406\n-0.000000 -0.000000 4.440812\nNb Cr Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.750001 Nb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ru\n",
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{
"id": "jvasp-104030",
"created_at": "2022-09-04T14:37:00.457817Z",
"updated_at": "2022-09-04T14:37:00.457846Z",
"structure_string": "H20 C18 O6\n1.0\n8.569239 0.000000 -0.154383\n0.000000 4.626362 0.000000\n-0.002555 0.000000 9.918665\nH C O\n20 18 6\ndirect\n0.207201 0.108104 0.259653 H\n0.678373 0.641081 0.967550 H\n0.321628 0.141081 0.032451 H\n0.526596 0.395741 0.918193 H\n0.473404 0.895741 0.081808 H\n0.540644 0.741227 0.838429 H\n0.944008 0.399239 0.606296 H\n0.055993 0.899239 0.393705 H\n0.200275 0.237407 0.534280 H\n0.799726 0.737407 0.465721 H\n0.459357 0.241228 0.161572 H\n0.651562 0.360207 0.334929 H\n0.348438 0.860207 0.665072 H\n0.421234 0.503186 0.461787 H\n0.578767 0.003186 0.538213 H\n0.023018 0.334772 0.047514 H\n0.792800 0.608104 0.740348 H\n0.765223 0.160272 0.124835 H\n0.234777 0.660272 0.875165 H\n0.976982 0.834772 0.952487 H\n0.993968 0.739217 0.333015 C\n0.620417 0.327630 0.654887 C\n0.379584 0.827629 0.345114 C\n0.715132 0.435826 0.776397 C\n0.284869 0.935826 0.223604 C\n0.607435 0.561642 0.882241 C\n0.392565 0.061642 0.117760 C\n0.006033 0.239217 0.666986 C\n0.152299 0.144296 0.625523 C\n0.944775 0.127885 0.785867 C\n0.236020 0.937345 0.699202 C\n0.763981 0.437345 0.300799 C\n0.172188 0.824410 0.816781 C\n0.827813 0.324410 0.183220 C\n0.027610 0.919624 0.860624 C\n0.972391 0.419624 0.139377 C\n0.055225 0.627885 0.214134 C\n0.847702 0.644296 0.374478 C\n0.196014 0.709711 0.160026 O\n0.475433 0.988944 0.402007 O\n0.524568 0.488944 0.597994 O\n0.352106 0.558206 0.381193 O\n0.647894 0.058206 0.618808 O\n0.803986 0.209711 0.839975 O\n",
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"formula_full": "H20 C18 O6",
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{
"id": "jvasp-99509",
"created_at": "2022-09-04T14:36:36.467181Z",
"updated_at": "2022-09-04T14:36:36.467213Z",
"structure_string": "Hf5 Sc1 Si4\n1.0\n7.042022 -0.000000 0.000000\n0.000000 7.042022 0.000000\n-0.000000 -0.000000 3.682984\nHf Sc Si\n5 1 4\ndirect\n0.676580 0.169656 0.500000 Hf\n0.323419 0.830344 0.500000 Hf\n0.169656 0.323419 0.500000 Hf\n0.830344 0.676580 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 -0.000000 Sc\n0.125070 0.623503 -0.000000 Si\n0.874929 0.376497 -0.000000 Si\n0.623503 0.874929 -0.000000 Si\n0.376497 0.125070 -0.000000 Si\n",
"nsites": 10,
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"volume": 182.639448542785,
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"formula_full": "Hf5 Sc1 Si4",
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{
"id": "jvasp-112655",
"created_at": "2022-09-04T14:38:42.979210Z",
"updated_at": "2022-09-04T14:38:42.979241Z",
"structure_string": "Nb4 Cr1 C2 S4\n1.0\n3.302400 0.000000 0.000000\n-0.000000 5.623643 1.226740\n-0.000000 0.015297 8.670317\nNb Cr C S\n4 1 2 4\ndirect\n0.500000 0.623078 0.637670 Nb\n0.000000 0.120447 0.635978 Nb\n0.500000 0.376922 0.362330 Nb\n0.000000 0.879553 0.364022 Nb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.772993 0.157339 S\n0.000000 0.274248 0.162543 S\n0.500000 0.227007 0.842661 S\n0.000000 0.725752 0.837457 S\n",
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{
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"created_at": "2022-09-04T14:36:59.921429Z",
"updated_at": "2022-09-04T14:36:59.921447Z",
"structure_string": "Hf2 Tc1 Ir1\n1.0\n3.988938 -0.000000 2.303014\n1.329646 3.760807 2.303014\n-0.000000 -0.000000 4.606029\nHf Tc Ir\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Hf\n0.750001 0.750001 0.749998 Hf\n0.000000 0.000000 0.000000 Tc\n0.500001 0.500000 0.499999 Ir\n",
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{
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"structure_string": "Cr3 Ni1 B6\n1.0\n8.997979 0.009052 0.000000\n-8.502534 2.944591 0.000000\n0.000000 0.000000 2.952022\nCr Ni B\n3 1 6\ndirect\n0.796420 0.203579 0.500000 Cr\n0.929053 0.070946 -0.000000 Cr\n0.071897 0.928103 0.500000 Cr\n0.202677 0.797323 -0.000000 Ni\n0.524519 0.475481 -0.000000 B\n0.475996 0.524004 0.500000 B\n0.324820 0.675179 -0.000000 B\n0.674473 0.325526 0.500000 B\n0.621274 0.378725 -0.000000 B\n0.378872 0.621128 0.500000 B\n",
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{
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"structure_string": "Pu2 Ir4\n1.0\n4.577835 -0.000000 2.643014\n1.525945 4.316025 2.643014\n-0.000000 -0.000000 5.286029\nPu Ir\n2 4\ndirect\n0.874998 0.874999 0.875000 Pu\n0.125000 0.125000 0.125000 Pu\n0.499999 0.499999 0.500000 Ir\n0.499999 0.499999 -0.000000 Ir\n-0.000000 0.499999 0.500000 Ir\n0.499999 0.000000 0.500000 Ir\n",
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{
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{
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}