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{
"id": "jvasp-35023",
"created_at": "2022-09-04T14:37:39.653710Z",
"updated_at": "2022-09-04T14:37:39.653737Z",
"structure_string": "Os2 N4\n1.0\n2.753177 0.000000 0.000000\n-1.376588 2.910636 0.000000\n0.000000 -0.000000 7.338302\nOs N\n2 4\ndirect\n0.692394 0.384786 0.250000 Os\n0.307608 0.615215 0.750000 Os\n0.994751 0.989500 0.409223 N\n0.005250 0.010501 0.590776 N\n0.005250 0.010501 0.909223 N\n0.994751 0.989500 0.090777 N\n",
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{
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"structure_string": "H8 O4\n1.0\n2.179855 3.807327 0.000000\n-2.179855 3.807327 0.000000\n0.000000 0.000000 7.085356\nH O\n8 4\ndirect\n0.340021 0.340021 0.701212 H\n0.659980 0.659980 0.201212 H\n0.470574 0.470574 0.518436 H\n0.529426 0.529426 0.018435 H\n0.927501 0.555107 0.481789 H\n0.555107 0.927501 0.481789 H\n0.072500 0.444894 0.981789 H\n0.444894 0.072500 0.981789 H\n0.343769 0.343769 0.559045 O\n0.656232 0.656232 0.059045 O\n0.675617 0.675617 0.435731 O\n0.324384 0.324384 0.935731 O\n",
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{
"id": "jvasp-14498",
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"structure_string": "Be1 Cu1\n1.0\n2.696203 -0.000000 -0.000000\n-0.000000 2.696203 -0.000000\n-0.000000 0.000000 2.696203\nBe Cu\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.499999 Cu\n",
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},
{
"id": "jvasp-48138",
"created_at": "2022-09-04T14:36:54.306625Z",
"updated_at": "2022-09-04T14:36:54.306646Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.457162 0.000494 0.010910\n0.122077 5.361783 0.063727\n0.177944 0.564813 7.388173\nMn O F\n6 10 2\ndirect\n0.481254 0.322035 0.160619 Mn\n0.518746 0.677963 0.839381 Mn\n0.499999 -0.000001 0.500000 Mn\n0.984747 0.154753 0.830772 Mn\n-0.000000 0.499999 0.500000 Mn\n0.015252 0.845245 0.169228 Mn\n0.202236 0.122729 0.059156 O\n0.201813 0.793369 0.394999 O\n0.291371 0.623437 0.060900 O\n0.298100 0.292617 0.394588 O\n0.295998 0.957152 0.730612 O\n0.704001 0.042846 0.269388 O\n0.708628 0.376561 0.939100 O\n0.797764 0.877268 0.940844 O\n0.798186 0.206629 0.605001 O\n0.701900 0.707381 0.605412 O\n0.778052 0.544673 0.255249 F\n0.221947 0.455325 0.744751 F\n",
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"volume": 176.39450937722253,
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"spacegroup": 2
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{
"id": "jvasp-122045",
"created_at": "2022-09-04T14:38:54.985310Z",
"updated_at": "2022-09-04T14:38:54.985329Z",
"structure_string": "In4 H4 O8\n1.0\n5.392018 -0.000000 0.000000\n0.000000 5.392018 0.000000\n-0.000000 -0.000000 5.392018\nIn H O\n4 4 8\ndirect\n0.489819 0.989819 0.510181 In\n0.989819 0.510181 0.489819 In\n0.510181 0.489819 0.989819 In\n0.010181 0.010181 0.010181 In\n0.023614 0.523614 0.976386 H\n0.523614 0.976386 0.023614 H\n0.976386 0.023614 0.523614 H\n0.476386 0.476386 0.476386 H\n0.136088 0.636089 0.863912 O\n0.636089 0.863912 0.136088 O\n0.863912 0.136088 0.636089 O\n0.363912 0.363912 0.363912 O\n0.865553 0.365553 0.134447 O\n0.365553 0.134447 0.865553 O\n0.134447 0.865553 0.365553 O\n0.634447 0.634447 0.634447 O\n",
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{
"id": "jvasp-36313",
"created_at": "2022-09-04T14:37:15.129435Z",
"updated_at": "2022-09-04T14:37:15.129461Z",
"structure_string": "Mg1 O1\n1.0\n1.457720 -2.524846 -0.000000\n1.457720 2.524846 0.000000\n-0.000000 0.000000 2.662101\nMg O\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.500000 O\n",
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},
{
"id": "jvasp-73144",
"created_at": "2022-09-04T14:36:14.283240Z",
"updated_at": "2022-09-04T14:36:14.283259Z",
"structure_string": "Be2 Co1 Ru1\n1.0\n2.687904 0.000000 0.000000\n0.000000 2.687904 -0.000000\n0.000000 -0.000000 5.424433\nBe Co Ru\n2 1 1\ndirect\n0.000000 0.000000 0.777830 Be\n0.000000 0.000000 0.222169 Be\n0.499999 0.499999 0.000000 Co\n0.499999 0.499999 0.500000 Ru\n",
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{
"id": "jvasp-48662",
"created_at": "2022-09-04T14:35:41.509898Z",
"updated_at": "2022-09-04T14:35:41.509926Z",
"structure_string": "Li2 Mn1 F6\n1.0\n2.415416 -4.183623 -0.000000\n2.415416 4.183623 -0.000000\n-0.000000 -0.000000 4.362729\nLi Mn F\n2 1 6\ndirect\n0.666668 0.333334 0.500000 Li\n0.333334 0.666668 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.311001 0.000000 0.241768 F\n0.688999 0.000001 0.758232 F\n0.000000 0.311001 0.241768 F\n0.311001 0.311001 0.758232 F\n0.000001 0.688999 0.758232 F\n0.689000 0.689000 0.241768 F\n",
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"formula_full": "Li2 Mn1 F6",
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"spacegroup": 162
},
{
"id": "jvasp-21165",
"created_at": "2022-09-04T14:37:57.510169Z",
"updated_at": "2022-09-04T14:37:57.510189Z",
"structure_string": "Al8 Si4 O16 F8\n1.0\n4.691499 0.000000 0.000000\n-0.000000 8.467216 0.000000\n0.000000 0.000000 8.878159\nAl Si O F\n8 4 16 8\ndirect\n0.096826 0.916951 0.130336 Al\n0.596827 0.083050 0.369665 Al\n0.903174 0.416951 0.869665 Al\n0.403174 0.583050 0.630336 Al\n0.596827 0.416951 0.369665 Al\n0.096826 0.583050 0.130336 Al\n0.403174 0.916951 0.630336 Al\n0.903174 0.083050 0.869665 Al\n0.897695 0.750000 0.439931 Si\n0.397695 0.250000 0.060069 Si\n0.102305 0.250000 0.560069 Si\n0.602305 0.750000 0.939931 Si\n0.295126 0.750000 0.031366 O\n0.795126 0.250000 0.468634 O\n0.704874 0.250000 0.968634 O\n0.204874 0.750000 0.531366 O\n0.789195 0.908063 0.989255 O\n0.289195 0.091938 0.510745 O\n0.210805 0.408063 0.010745 O\n0.710805 0.591938 0.489255 O\n0.289195 0.408063 0.510745 O\n0.041978 0.250000 0.744594 O\n0.958022 0.750000 0.255407 O\n0.210805 0.091938 0.010745 O\n0.710805 0.908063 0.489255 O\n0.789195 0.591938 0.989255 O\n0.458022 0.250000 0.244594 O\n0.541978 0.750000 0.755407 O\n0.096035 0.557673 0.752158 F\n0.096035 0.942328 0.752158 F\n0.596035 0.057672 0.747842 F\n0.596035 0.442328 0.747842 F\n0.403965 0.557673 0.252158 F\n0.903965 0.057672 0.247842 F\n0.403965 0.942328 0.252158 F\n0.903965 0.442328 0.247842 F\n",
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],
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{
"id": "jvasp-43129",
"created_at": "2022-09-04T14:36:39.961372Z",
"updated_at": "2022-09-04T14:36:39.961381Z",
"structure_string": "Li4 Mn2 Cr4 O12\n1.0\n4.983046 0.024352 -0.000000\n-2.483107 4.320361 0.000000\n0.000000 0.000000 9.982974\nLi Mn Cr O\n4 2 4 12\ndirect\n0.146800 0.646800 0.750000 Li\n0.353199 0.853199 0.250000 Li\n0.646801 0.146800 0.750000 Li\n0.853200 0.353199 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.163225 0.836775 0.500000 Cr\n0.336775 0.663225 0.000000 Cr\n0.663225 0.336775 0.000000 Cr\n0.836775 0.163225 0.500000 Cr\n0.504818 0.171141 0.393300 O\n0.823200 0.823199 0.398220 O\n0.328859 0.995182 0.893300 O\n0.676800 0.676800 0.898220 O\n0.323200 0.323199 0.101780 O\n0.004818 0.671141 0.106700 O\n0.495182 0.828859 0.606699 O\n0.171141 0.504818 0.393300 O\n0.995182 0.328859 0.893300 O\n0.828859 0.495181 0.606699 O\n0.176800 0.176800 0.601779 O\n0.671141 0.004818 0.106700 O\n",
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"volume_molar": 5.899581640049888,
"formula_full": "Li4 Mn2 Cr4 O12",
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{
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"created_at": "2022-09-04T14:38:33.513669Z",
"updated_at": "2022-09-04T14:38:33.513697Z",
"structure_string": "Tm1 Co12 B6\n1.0\n5.754841 0.003055 -1.444598\n-1.852749 5.448442 -1.444598\n0.002186 0.003055 5.933384\nTm Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.185941 0.453675 0.453675 Co\n0.453676 0.453675 0.185940 Co\n0.453676 0.185940 0.453675 Co\n0.546324 0.546323 0.814058 Co\n0.546324 0.814058 0.546323 Co\n0.814059 0.546323 0.546323 Co\n0.132070 0.499999 0.867929 Co\n0.500000 0.867930 0.132069 Co\n0.867930 0.499999 0.132069 Co\n0.500000 0.132068 0.867929 Co\n0.132069 0.867930 0.499999 Co\n0.867930 0.132068 0.499999 Co\n0.233074 0.233074 0.679846 B\n0.766925 0.320152 0.766924 B\n0.766925 0.766924 0.320152 B\n0.320153 0.766924 0.766924 B\n0.233074 0.679846 0.233074 B\n0.679847 0.233074 0.233074 B\n",
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{
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"created_at": "2022-09-04T14:37:16.346309Z",
"updated_at": "2022-09-04T14:37:16.346336Z",
"structure_string": "Mn4 Zn6 O14\n1.0\n5.143257 0.000000 -0.000000\n0.000000 4.913722 -1.325397\n-0.000000 -0.117784 9.334493\nMn Zn O\n4 6 14\ndirect\n0.752170 0.351290 0.204095 Mn\n0.252170 0.648710 0.795905 Mn\n0.252170 0.852803 0.204094 Mn\n0.752170 0.147197 0.795905 Mn\n0.709313 0.750729 -0.000000 Zn\n0.209313 0.249270 -0.000000 Zn\n0.805825 0.563853 0.605226 Zn\n0.305825 0.436147 0.394773 Zn\n0.805825 0.958626 0.394773 Zn\n0.305825 0.041374 0.605226 Zn\n0.316103 0.633020 -0.000000 O\n0.816104 0.366980 -0.000000 O\n0.437028 0.144444 0.153404 O\n0.937029 0.855557 0.846595 O\n0.058678 0.565636 0.260946 O\n0.558678 0.434365 0.739054 O\n0.193594 0.061521 0.403463 O\n0.058678 0.304689 0.739054 O\n0.693594 0.341944 0.403463 O\n0.193594 0.658056 0.596536 O\n0.937029 0.008961 0.153404 O\n0.693594 0.938479 0.596536 O\n0.558678 0.695311 0.260945 O\n0.437028 0.991040 0.846595 O\n",
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}
]
}