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{
"id": "jvasp-116965",
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"updated_at": "2022-09-04T14:38:46.696105Z",
"structure_string": "Zr6 Ga16 Ir7\n1.0\n7.615474 -0.000000 4.396796\n2.538491 7.179938 4.396796\n0.000000 -0.000000 8.793592\nZr Ga Ir\n6 16 7\ndirect\n0.695880 0.695881 0.304120 Zr\n0.304119 0.695881 0.304120 Zr\n0.695880 0.304119 0.304120 Zr\n0.304119 0.304119 0.695881 Zr\n0.695880 0.304119 0.695881 Zr\n0.304119 0.695881 0.695881 Zr\n0.345787 0.345787 0.345787 Ga\n0.962640 0.345787 0.345788 Ga\n0.345786 0.962640 0.345788 Ga\n0.345787 0.345787 0.962640 Ga\n0.654213 0.654213 0.654214 Ga\n0.037360 0.654213 0.654213 Ga\n0.654213 0.037360 0.654213 Ga\n0.654213 0.654213 0.037361 Ga\n0.632562 0.122480 0.122480 Ga\n0.122479 0.632562 0.122480 Ga\n0.122479 0.122480 0.632562 Ga\n0.877520 0.877521 0.877521 Ga\n0.367437 0.877521 0.877521 Ga\n0.877520 0.367438 0.877521 Ga\n0.877520 0.877521 0.367439 Ga\n0.122479 0.122480 0.122480 Ga\n-0.000000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.500000 0.000000 0.000000 Ir\n",
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"structure_string": "Mg1 Sn1 O1\n1.0\n4.577787 0.000000 0.000000\n-2.288893 3.964480 0.000000\n0.000000 -0.000000 3.217934\nMg Sn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 O\n",
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{
"id": "jvasp-117196",
"created_at": "2022-09-04T14:38:46.714337Z",
"updated_at": "2022-09-04T14:38:46.714352Z",
"structure_string": "Pr1 Nb4 O12\n1.0\n5.611267 -0.029421 0.000000\n-0.077984 5.610802 0.000000\n-0.000000 -0.000000 7.935964\nPr Nb O\n1 4 12\ndirect\n0.267235 0.732765 -0.000000 Pr\n0.259565 0.236891 0.742019 Nb\n0.763110 0.740435 0.742019 Nb\n0.763110 0.740435 0.257981 Nb\n0.259565 0.236891 0.257981 Nb\n-0.001418 0.503137 0.230159 O\n0.496863 0.001418 0.769840 O\n0.015717 0.984283 0.199491 O\n0.015717 0.984283 0.800508 O\n0.477431 0.522570 0.263309 O\n0.778386 0.789325 0.500000 O\n0.496863 0.001418 0.230159 O\n0.210675 0.221615 0.500000 O\n0.704078 0.727401 -0.000000 O\n0.272599 0.295922 -0.000000 O\n0.477431 0.522570 0.736690 O\n-0.001418 0.503137 0.769840 O\n",
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"spacegroup": 38
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{
"id": "jvasp-112250",
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"updated_at": "2022-09-04T14:38:46.719201Z",
"structure_string": "H22 C24 O4\n1.0\n7.595475 0.041078 -2.053679\n-2.346439 6.784693 -3.794886\n-0.110579 0.039840 8.420702\nH C O\n22 24 4\ndirect\n0.288529 0.053259 0.597186 H\n0.400111 0.546265 0.768374 H\n0.599889 0.453735 0.231625 H\n0.249243 0.231494 0.448671 H\n0.750757 0.768506 0.551328 H\n0.169490 0.093358 0.076243 H\n0.365544 0.134335 0.014811 H\n0.634456 0.865665 0.985188 H\n0.247169 0.349488 0.985726 H\n0.752831 0.650511 0.014273 H\n0.437549 0.703799 0.200786 H\n0.830510 0.906641 0.923757 H\n0.074168 0.825267 0.809707 H\n0.925833 0.174733 0.190292 H\n0.888582 0.477036 0.601140 H\n0.111418 0.522964 0.398859 H\n0.785203 0.161001 0.395609 H\n0.214797 0.838999 0.604390 H\n0.655046 0.160410 0.536127 H\n0.344954 0.839589 0.463872 H\n0.711471 0.946740 0.402814 H\n0.562451 0.296201 0.799213 H\n0.788417 0.544930 0.051097 C\n0.211583 0.455070 0.948903 C\n0.677788 0.869499 0.872908 C\n0.322212 0.130501 0.127091 C\n0.584515 0.678499 0.680476 C\n0.444350 0.526190 0.650850 C\n0.639721 0.650922 0.527846 C\n0.360279 0.349078 0.472154 C\n0.555650 0.473810 0.349149 C\n0.316882 0.651422 0.068573 C\n0.415485 0.321501 0.319523 C\n0.683118 0.348577 0.931426 C\n0.061135 0.822503 0.336763 C\n0.733773 0.212125 0.977396 C\n0.112989 0.723168 0.850939 C\n0.887011 0.276831 0.149060 C\n0.008672 0.524243 0.731924 C\n0.991328 0.475757 0.268075 C\n0.054150 0.387254 0.779084 C\n0.945850 0.612746 0.220915 C\n0.938865 0.177497 0.663236 C\n0.763128 0.107006 0.488553 C\n0.236872 0.892994 0.511446 C\n0.266228 0.787875 0.022603 C\n0.017199 0.937416 0.286856 O\n0.624910 0.021817 0.845383 O\n0.375090 0.978183 0.154616 O\n0.982802 0.062584 0.713143 O\n",
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"formula_full": "H22 C24 O4",
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{
"id": "jvasp-113653",
"created_at": "2022-09-04T14:38:46.720353Z",
"updated_at": "2022-09-04T14:38:46.720370Z",
"structure_string": "Al2 H2 O2\n1.0\n3.376998 0.000000 0.000000\n0.000000 3.376998 0.000000\n0.000000 -0.000000 4.587941\nAl H O\n2 2 2\ndirect\n0.000000 0.500000 0.694159 Al\n0.500000 0.000000 0.305840 Al\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "Al2 H2 O2",
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"spacegroup": 129
},
{
"id": "jvasp-115461",
"created_at": "2022-09-04T14:38:46.723391Z",
"updated_at": "2022-09-04T14:38:46.723417Z",
"structure_string": "Ba1 Bi1 Br1\n1.0\n3.676724 0.000000 -0.000000\n0.000000 3.676724 0.000000\n0.000000 -0.000000 9.530686\nBa Bi Br\n1 1 1\ndirect\n0.000000 0.000000 0.266425 Ba\n0.000000 0.000000 0.640121 Bi\n0.000000 0.000000 -0.041846 Br\n",
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{
"id": "jvasp-115468",
"created_at": "2022-09-04T14:38:46.728800Z",
"updated_at": "2022-09-04T14:38:46.728827Z",
"structure_string": "Bi1 B1 O1\n1.0\n3.316190 0.000000 -0.000000\n-0.000000 3.316190 0.000000\n-0.000000 -0.000000 6.382691\nBi B O\n1 1 1\ndirect\n0.000000 0.000000 0.619849 Bi\n0.000000 0.000000 0.245375 B\n0.000000 0.000000 0.054235 O\n",
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},
{
"id": "jvasp-115706",
"created_at": "2022-09-04T14:38:46.732592Z",
"updated_at": "2022-09-04T14:38:46.732608Z",
"structure_string": "Li1 P1 Br1\n1.0\n4.888900 0.000000 0.000000\n-2.444450 4.233911 -0.000000\n0.000000 -0.000000 3.184208\nLi P Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Li\n0.666667 0.333334 0.000000 P\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Fe4 P4 O16\n1.0\n5.068236 0.058516 1.193269\n0.817892 8.522747 -1.637873\n-0.172293 -0.057859 8.714104\nFe P O\n4 4 16\ndirect\n0.500034 0.500029 0.000001 Fe\n0.749995 0.749985 0.499992 Fe\n0.000037 0.000032 0.000001 Fe\n0.249995 0.249985 0.499993 Fe\n0.312483 0.562468 0.375003 P\n0.562518 0.812526 0.875003 P\n0.812486 0.062468 0.375003 P\n0.062514 0.312525 0.875001 P\n0.581280 0.855018 0.709070 O\n0.331270 0.605006 0.209089 O\n0.327846 0.326823 0.927222 O\n0.077790 0.076764 0.427261 O\n0.827853 0.826822 0.927224 O\n0.577788 0.576764 0.427261 O\n-0.004818 0.140713 0.863202 O\n0.845733 0.427559 0.000500 O\n0.495182 0.640715 0.863201 O\n0.245199 0.390640 0.363151 O\n0.831276 0.105004 0.209088 O\n0.595671 0.177474 0.500505 O\n0.345736 0.927561 0.000502 O\n0.095668 0.677474 0.500506 O\n0.745198 0.890642 0.363153 O\n0.081276 0.355016 0.709069 O\n",
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{
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{
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"structure_string": "Pd1 Se1 Br1\n1.0\n2.903296 0.000000 -0.000000\n-0.000000 2.903296 0.000000\n-0.000000 -0.000000 8.492168\nPd Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.675966 Pd\n0.000000 0.000000 -0.045660 Se\n0.000000 0.000000 0.379950 Br\n",
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}
]
}