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{
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{
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"structure_string": "V18 Ni2 O30\n1.0\n7.534096 0.000000 0.000000\n3.444539 8.121133 0.000000\n2.838948 0.381313 8.630910\nV Ni O\n18 2 30\ndirect\n0.768820 0.941164 0.321497 V\n0.130584 0.860808 0.076418 V\n0.367991 0.141087 0.920711 V\n0.732386 0.057651 0.677845 V\n0.967932 0.340004 0.520349 V\n0.267614 0.942349 0.322155 V\n0.330533 0.259973 0.280158 V\n0.632009 0.858913 0.079289 V\n0.569504 0.538929 0.122953 V\n0.869416 0.139192 0.923582 V\n0.933163 0.461222 0.879976 V\n0.231180 0.058836 0.678503 V\n0.477202 0.340989 0.514352 V\n0.522798 0.659011 0.485648 V\n0.066837 0.538778 0.120024 V\n0.430496 0.461071 0.877047 V\n0.669467 0.740027 0.719842 V\n0.032068 0.659996 0.479651 V\n0.163196 0.741385 0.723979 Ni\n0.836804 0.258615 0.276021 Ni\n0.110994 0.922068 0.861864 O\n0.328069 0.961764 0.078802 O\n0.487476 0.978115 0.741529 O\n0.906108 0.821579 0.658624 O\n0.704219 0.114300 0.465014 O\n0.927888 0.160239 0.678349 O\n0.072112 0.839761 0.321651 O\n0.295781 0.885700 0.534986 O\n0.093892 0.178421 0.341376 O\n0.512524 0.021885 0.258471 O\n0.311882 0.315971 0.060940 O\n0.519579 0.364414 0.278370 O\n0.671931 0.038236 0.921198 O\n0.889006 0.077932 0.138136 O\n0.688494 0.378213 0.939118 O\n0.110501 0.222850 0.861730 O\n0.913414 0.516604 0.661217 O\n0.130239 0.556340 0.880959 O\n0.274286 0.239229 0.523191 O\n0.489907 0.283497 0.736682 O\n0.291119 0.574016 0.532311 O\n0.708881 0.425984 0.467689 O\n0.510093 0.716503 0.263318 O\n0.725714 0.760771 0.476809 O\n0.869761 0.443660 0.119041 O\n0.086586 0.483396 0.338783 O\n0.889499 0.777150 0.138270 O\n0.311506 0.621787 0.060882 O\n0.480421 0.635586 0.721630 O\n0.688118 0.684029 0.939060 O\n",
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{
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{
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"structure_string": "Nb6 Ga1 Si1\n1.0\n5.162859 0.000000 0.000000\n0.000000 5.162859 0.000000\n0.000000 0.000000 5.162859\nNb Ga Si\n6 1 1\ndirect\n0.000000 0.500000 0.756795 Nb\n0.500000 0.243205 0.000000 Nb\n0.756795 0.000000 0.500000 Nb\n0.000000 0.500000 0.243205 Nb\n0.500000 0.756795 0.000000 Nb\n0.243205 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
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"elements": [
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],
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"density": 7.906480416891523,
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"formula_full": "Nb6 Ga1 Si1",
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"updated_at": "2021-11-28T01:36:26.681000Z",
"spacegroup": 200
},
{
"id": "mp-1097018",
"created_at": "2022-09-04T14:39:22.947382Z",
"structure_string": "Cr32 N64\n1.0\n5.336306 -11.221998 0.000000\n5.336306 11.221998 0.000000\n0.000000 0.000000 21.449851\nCr N\n32 64\ndirect\n0.637561 0.279923 0.828369 Cr\n0.720077 0.362439 0.171631 Cr\n0.637561 0.279923 0.671631 Cr\n0.720077 0.362439 0.328369 Cr\n0.362439 0.720077 0.171631 Cr\n0.279923 0.637561 0.828369 Cr\n0.362439 0.720077 0.328369 Cr\n0.279923 0.637561 0.671631 Cr\n0.321452 0.473617 0.940852 Cr\n0.526383 0.678548 0.059148 Cr\n0.321452 0.473617 0.559148 Cr\n0.526383 0.678548 0.440852 Cr\n0.678548 0.526383 0.059148 Cr\n0.473617 0.321452 0.940852 Cr\n0.678548 0.526383 0.440852 Cr\n0.473617 0.321452 0.559148 Cr\n0.962063 0.491052 0.890556 Cr\n0.508948 0.037937 0.109444 Cr\n0.962063 0.491052 0.609444 Cr\n0.508948 0.037937 0.390556 Cr\n0.037937 0.508948 0.109444 Cr\n0.491052 0.962063 0.890556 Cr\n0.037937 0.508948 0.390556 Cr\n0.491052 0.962063 0.609444 Cr\n0.000553 0.309774 0.993819 Cr\n0.690226 0.999447 0.006181 Cr\n0.000553 0.309774 0.506181 Cr\n0.690226 0.999447 0.493819 Cr\n0.999447 0.690226 0.006181 Cr\n0.309774 0.000553 0.993819 Cr\n0.999447 0.690226 0.493819 Cr\n0.309774 0.000553 0.506181 Cr\n0.604145 0.280090 0.750000 N\n0.719910 0.395855 0.250000 N\n0.395855 0.719910 0.250000 N\n0.280090 0.604145 0.750000 N\n0.577227 0.115008 0.848902 N\n0.884992 0.422773 0.151098 N\n0.577227 0.115008 0.651098 N\n0.884992 0.422773 0.348902 N\n0.422773 0.884992 0.151098 N\n0.115008 0.577227 0.848902 N\n0.422773 0.884992 0.348902 N\n0.115008 0.577227 0.651098 N\n0.405307 0.594693 0.000000 N\n0.405307 0.594693 0.500000 N\n0.594693 0.405307 0.000000 N\n0.594693 0.405307 0.500000 N\n0.154559 0.351172 0.968000 N\n0.648828 0.845441 0.032000 N\n0.154559 0.351172 0.532000 N\n0.648828 0.845441 0.468000 N\n0.845441 0.648828 0.032000 N\n0.351172 0.154559 0.968000 N\n0.845441 0.648828 0.468000 N\n0.351172 0.154559 0.532000 N\n0.402415 0.402415 0.928930 N\n0.597585 0.597585 0.071070 N\n0.402415 0.402415 0.571070 N\n0.597585 0.597585 0.428930 N\n0.952239 0.379425 0.942364 N\n0.620575 0.047761 0.057636 N\n0.952239 0.379425 0.557636 N\n0.620575 0.047761 0.442364 N\n0.047761 0.620575 0.057636 N\n0.379425 0.952239 0.942364 N\n0.047761 0.620575 0.442364 N\n0.379425 0.952239 0.557636 N\n0.557209 0.323132 0.875379 N\n0.676868 0.442791 0.124621 N\n0.557209 0.323132 0.624621 N\n0.676868 0.442791 0.375379 N\n0.442791 0.676868 0.124621 N\n0.323132 0.557209 0.875379 N\n0.442791 0.676868 0.375379 N\n0.323132 0.557209 0.624621 N\n0.812759 0.398256 0.844491 N\n0.601744 0.187241 0.155509 N\n0.812759 0.398256 0.655509 N\n0.601744 0.187241 0.344491 N\n0.187241 0.601744 0.155509 N\n0.398256 0.812759 0.844491 N\n0.187241 0.601744 0.344491 N\n0.398256 0.812759 0.655509 N\n0.967736 0.611566 0.934324 N\n0.388434 0.032264 0.065676 N\n0.967736 0.611566 0.565676 N\n0.388434 0.032264 0.434324 N\n0.032264 0.388434 0.065676 N\n0.611566 0.967736 0.934324 N\n0.032264 0.388434 0.434324 N\n0.611566 0.967736 0.565676 N\n0.867361 0.132639 0.000000 N\n0.867361 0.132639 0.500000 N\n0.132639 0.867361 0.000000 N\n0.132639 0.867361 0.500000 N\n",
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"elements": [
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],
"chemical_system": "Cr-N",
"density": 1.654914055162184,
"density_atomic": 0.0373685326967416,
"volume": 2569.0064091911977,
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"formula_full": "Cr32 N64",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:42.468000Z",
"spacegroup": 63
}
]
}