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{
"id": "jvasp-112084",
"created_at": "2022-09-04T14:38:44.296599Z",
"updated_at": "2022-09-04T14:38:44.296626Z",
"structure_string": "Zn1 H10 C7 O4\n1.0\n4.682964 -0.019491 -0.233269\n-2.103461 4.051500 -0.728722\n0.056028 -0.048444 10.005630\nZn H C O\n1 10 7 4\ndirect\n0.277563 0.628730 0.812035 Zn\n0.956718 0.381871 0.490633 H\n0.772545 -0.071322 0.277567 H\n0.610064 0.138376 0.193645 H\n0.164732 0.629741 0.226138 H\n0.322398 0.412968 0.307321 H\n0.725165 0.712041 0.040420 H\n0.144445 0.980711 0.092405 H\n0.511906 0.833450 0.534148 H\n0.402505 0.074841 0.442366 H\n0.817360 0.615657 0.410816 H\n0.240795 0.042441 0.637110 C\n0.314066 0.888693 0.506076 C\n0.026118 0.569693 0.427583 C\n0.104117 0.443347 0.290013 C\n0.830367 0.113144 0.212807 C\n0.906832 0.970978 0.076324 C\n0.913578 0.163762 0.967345 C\n0.672969 0.067903 0.877258 O\n0.089923 -0.134624 0.720794 O\n0.332341 0.353267 0.655227 O\n0.172486 0.435641 0.972981 O\n",
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{
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"structure_string": "Mn5 Co1 O12\n1.0\n2.469125 4.288980 -0.458940\n-2.496006 4.292144 -0.229470\n-0.404543 -0.702709 8.960788\nMn Co O\n5 1 12\ndirect\n0.166661 0.666678 0.500000 Mn\n0.666665 0.666669 -0.000000 Mn\n0.333334 0.333331 -0.000000 Mn\n0.833340 0.333321 0.500000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n-0.034996 0.330827 0.893669 O\n0.365814 -0.000000 0.106327 O\n0.704168 0.330827 0.106332 O\n0.868907 0.666558 0.608136 O\n0.202342 -0.000001 0.608118 O\n0.131093 0.333441 0.391864 O\n0.464534 0.666559 0.391864 O\n0.634187 -0.000001 0.893673 O\n0.295832 0.669172 0.893669 O\n0.034995 0.669172 0.106332 O\n0.535466 0.333440 0.608136 O\n0.797659 -0.000001 0.391882 O\n",
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{
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"updated_at": "2022-09-04T14:37:13.246740Z",
"structure_string": "Er1 Al8 Fe4\n1.0\n4.662308 0.000000 1.902847\n2.331154 6.130881 0.951424\n0.014453 0.000000 6.627744\nEr Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Er\n0.338953 0.661046 0.661046 Al\n-0.000001 0.338953 0.661046 Al\n-0.000001 0.661046 0.338953 Al\n0.661046 0.338953 0.338954 Al\n0.279387 0.220613 0.220613 Al\n0.499999 0.779387 0.220613 Al\n0.499999 0.220613 0.779387 Al\n0.720612 0.779387 0.779387 Al\n-0.000000 -0.000000 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n",
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{
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"created_at": "2022-09-04T14:36:21.916874Z",
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"structure_string": "Li5 Ti2 Cu3 O10\n1.0\n5.063355 -0.020311 -0.003814\n-1.524534 5.323257 0.029322\n-1.745750 -2.262615 7.018643\nLi Ti Cu O\n5 2 3 10\ndirect\n0.214442 0.878867 0.381449 Li\n0.401843 0.318283 0.800311 Li\n0.500000 0.500000 0.500000 Li\n0.598156 0.681717 0.199689 Li\n0.785557 0.121133 0.618551 Li\n0.096207 0.698424 0.691451 Ti\n0.903793 0.301576 0.308549 Ti\n0.698830 0.887187 0.899720 Cu\n0.301169 0.112813 0.100280 Cu\n0.000000 0.500000 -0.000000 Cu\n0.648874 0.327722 0.066093 O\n0.061692 0.031835 0.838615 O\n0.351126 0.672278 0.933907 O\n0.129507 0.332142 0.548958 O\n0.220494 0.527716 0.245824 O\n0.460936 0.872789 0.660399 O\n0.539064 0.127211 0.339601 O\n0.779506 0.472284 0.754176 O\n0.870493 0.667858 0.451042 O\n0.938308 0.968165 0.161385 O\n",
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{
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"created_at": "2022-09-04T14:36:06.408175Z",
"updated_at": "2022-09-04T14:36:06.408192Z",
"structure_string": "V6 O9 F3\n1.0\n4.654419 -0.135322 -0.000000\n-0.135322 4.654419 0.000000\n-0.000000 0.000000 8.742761\nV O F\n6 9 3\ndirect\n-0.000738 0.000738 0.998539 V\n-0.000738 0.000738 0.334794 V\n0.021838 0.978162 0.666667 V\n0.538032 0.461969 0.166667 V\n0.472417 0.527584 0.832152 V\n0.472417 0.527584 0.501182 V\n0.807174 0.192827 0.166667 O\n0.697831 0.706306 0.666667 O\n0.700439 0.697038 0.332700 O\n0.700439 0.697038 0.000634 O\n0.302963 0.299561 0.000634 O\n0.302963 0.299561 0.332700 O\n0.198176 0.801824 0.832094 O\n0.198176 0.801824 0.501239 O\n0.293694 0.302170 0.666667 O\n0.795384 0.204617 0.832228 F\n0.204154 0.795847 0.166667 F\n0.795384 0.204617 0.501105 F\n",
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{
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"created_at": "2022-09-04T14:36:59.348706Z",
"updated_at": "2022-09-04T14:36:59.348727Z",
"structure_string": "Zn2 Ag4 O8\n1.0\n-6.142027 0.000000 0.000000\n-3.071013 0.000000 5.701558\n3.071013 5.403600 0.000000\nZn Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Zn\n0.125000 0.750000 0.750000 Zn\n0.506981 0.986038 0.250000 Ag\n0.756982 0.486038 0.750000 Ag\n0.243019 0.513962 0.250000 Ag\n0.493020 0.013962 0.750000 Ag\n0.871467 0.498460 0.116350 O\n0.746424 0.998460 0.616350 O\n0.744884 0.001540 0.116350 O\n0.630073 0.498460 0.383650 O\n0.255116 0.998460 0.883650 O\n0.369928 0.501540 0.616350 O\n0.253577 0.001540 0.383650 O\n0.128534 0.501540 0.883650 O\n",
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"formula_full": "Zn2 Ag4 O8",
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{
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"created_at": "2022-09-04T14:38:33.090334Z",
"updated_at": "2022-09-04T14:38:33.090359Z",
"structure_string": "Zn2 B6 Ir8\n1.0\n2.815045 0.000000 0.000000\n0.000000 2.846920 0.000000\n0.000000 0.000000 23.611404\nZn B Ir\n2 6 8\ndirect\n0.499999 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.499999 -0.000000 0.376724 B\n0.000000 0.000000 0.122168 B\n0.000000 0.000000 0.877832 B\n-0.000000 0.500000 0.239927 B\n-0.000000 0.500000 0.760073 B\n0.499999 -0.000000 0.623276 B\n0.499999 0.500000 0.915854 Ir\n0.499999 -0.000000 0.196719 Ir\n0.000000 0.000000 0.692799 Ir\n0.499999 -0.000000 0.803281 Ir\n0.499999 0.500000 0.084145 Ir\n0.000000 0.000000 0.307201 Ir\n-0.000000 0.500000 0.417125 Ir\n-0.000000 0.500000 0.582875 Ir\n",
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{
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"created_at": "2022-09-04T14:36:54.018959Z",
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"structure_string": "Al1 In1 Cu2 Se4\n1.0\n5.250501 0.013528 -4.668923\n-1.049472 5.144565 -4.668923\n-0.011018 -0.013528 7.026128\nAl In Cu Se\n1 1 2 4\ndirect\n0.750000 0.250000 0.500001 Al\n0.500000 0.500001 0.000001 In\n0.250000 0.750001 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.100633 0.103553 0.468681 Se\n0.634872 0.631953 0.531320 Se\n0.368048 0.899367 0.002921 Se\n0.896447 0.365129 0.997081 Se\n",
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{
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"structure_string": "Sn4 O2 F4\n1.0\n5.168929 -0.003688 0.535000\n0.559268 6.008119 0.887849\n0.015642 0.034496 6.098944\nSn O F\n4 2 4\ndirect\n0.500000 0.709445 0.290555 Sn\n0.500000 0.290555 0.709445 Sn\n0.010156 0.786943 0.786942 Sn\n0.989844 0.213057 0.213058 Sn\n0.305129 0.609869 0.609868 O\n0.694871 0.390132 0.390131 O\n0.201106 0.137537 0.514449 F\n0.798894 0.862463 0.485550 F\n0.201107 0.514450 0.137537 F\n0.798893 0.485551 0.862462 F\n",
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{
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"structure_string": "K1 Rb2 In1 F6\n1.0\n5.573699 0.070284 -3.311298\n-1.771168 5.285265 -3.311298\n-0.049903 -0.070284 6.482926\nK Rb In F\n1 2 1 6\ndirect\n0.500000 0.500000 -0.000000 K\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750001 0.500001 Rb\n0.000000 0.000000 0.000000 In\n0.288542 0.159666 0.448209 F\n0.711459 0.840335 0.551792 F\n0.159666 0.711460 0.871125 F\n0.840334 0.288541 0.128875 F\n0.226442 0.226442 -0.000000 F\n0.773558 0.773558 -0.000000 F\n",
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{
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{
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"created_at": "2022-09-04T14:38:32.621515Z",
"updated_at": "2022-09-04T14:38:32.621533Z",
"structure_string": "Ac2 Ga6\n1.0\n3.439125 -5.956739 -0.000000\n3.439125 5.956739 0.000000\n-0.000000 -0.000000 4.617433\nAc Ga\n2 6\ndirect\n0.333332 0.666666 0.250000 Ac\n0.666666 0.333332 0.750000 Ac\n0.728775 0.864387 0.750000 Ga\n0.135611 0.271223 0.750000 Ga\n0.135611 0.864388 0.750000 Ga\n0.271223 0.135611 0.250000 Ga\n0.864387 0.728775 0.250000 Ga\n0.864388 0.135611 0.250000 Ga\n",
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}
]
}