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{
"id": "mp-685705",
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"structure_string": "Mn17 Nb31 N48\n1.0\n2.668312 -4.621652 0.000000\n2.668312 4.621652 0.000000\n0.000000 0.000000 40.370088\nMn Nb N\n17 31 48\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.251172 Mn\n0.000000 0.000000 0.874023 Mn\n0.333333 0.666667 0.000000 Mn\n0.000000 0.000000 0.125977 Mn\n0.333333 0.666667 0.250764 Mn\n0.333333 0.666667 0.374569 Mn\n0.000000 0.000000 0.374514 Mn\n0.333333 0.666667 0.625431 Mn\n0.333333 0.666667 0.749236 Mn\n0.000000 0.000000 0.625486 Mn\n0.000000 0.000000 0.748828 Mn\n0.666667 0.333333 0.874379 Mn\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.125621 Mn\n0.666667 0.333333 0.374374 Mn\n0.666667 0.333333 0.625626 Mn\n0.000167 0.669052 0.063033 Nb\n0.003140 0.670475 0.313712 Nb\n0.999868 0.669066 0.563631 Nb\n0.000189 0.669219 0.811938 Nb\n0.330948 0.999833 0.936967 Nb\n0.330781 0.999811 0.188062 Nb\n0.330934 0.000132 0.436369 Nb\n0.000167 0.331115 0.936967 Nb\n0.000189 0.330970 0.188062 Nb\n0.999868 0.330803 0.436369 Nb\n0.333333 0.666667 0.874322 Nb\n0.333333 0.666667 0.125678 Nb\n0.333333 0.666667 0.500000 Nb\n0.330948 0.331115 0.063033 Nb\n0.329525 0.332665 0.313712 Nb\n0.330934 0.330803 0.563631 Nb\n0.330781 0.330970 0.811938 Nb\n0.329525 0.996860 0.686288 Nb\n0.668885 0.669052 0.936967 Nb\n0.669197 0.669066 0.436369 Nb\n0.669030 0.669219 0.188062 Nb\n0.667335 0.670475 0.686288 Nb\n0.666667 0.333333 0.000000 Nb\n0.666667 0.333333 0.251133 Nb\n0.666667 0.333333 0.500000 Nb\n0.666667 0.333333 0.748867 Nb\n0.668885 0.999833 0.063033 Nb\n0.667335 0.996860 0.313712 Nb\n0.669197 0.000132 0.563631 Nb\n0.669030 0.999811 0.811938 Nb\n0.003140 0.332665 0.686288 Nb\n0.996550 0.665027 0.904277 N\n0.998614 0.660730 0.404293 N\n0.996392 0.663922 0.155367 N\n0.002391 0.666408 0.220464 N\n0.001965 0.666177 0.969597 N\n0.000830 0.671864 0.469228 N\n0.999298 0.659791 0.654220 N\n0.999156 0.667531 0.719134 N\n0.002391 0.335983 0.779536 N\n0.000830 0.328966 0.530772 N\n0.334973 0.331524 0.904277 N\n0.336078 0.332470 0.155367 N\n0.339270 0.337883 0.404293 N\n0.340209 0.339508 0.654220 N\n0.333823 0.335788 0.969597 N\n0.333592 0.335983 0.220464 N\n0.328136 0.328966 0.469228 N\n0.332469 0.331625 0.719134 N\n0.671034 0.999170 0.469228 N\n0.668476 0.003450 0.904277 N\n0.667530 0.003608 0.155367 N\n0.662117 0.001386 0.404293 N\n0.333823 0.998035 0.030403 N\n0.332469 0.000844 0.280866 N\n0.334973 0.003450 0.095723 N\n0.328136 0.999170 0.530772 N\n0.340209 0.000702 0.345780 N\n0.333592 0.997609 0.779536 N\n0.339270 0.001386 0.595707 N\n0.336078 0.003608 0.844633 N\n0.664212 0.666177 0.030403 N\n0.668476 0.665027 0.095723 N\n0.668375 0.667531 0.280866 N\n0.660492 0.659791 0.345780 N\n0.664017 0.666408 0.779536 N\n0.662117 0.660730 0.595707 N\n0.671034 0.671864 0.530772 N\n0.667530 0.663922 0.844633 N\n0.664017 0.997609 0.220464 N\n0.664212 0.998035 0.969597 N\n0.668375 0.000844 0.719134 N\n0.660492 0.000702 0.654220 N\n0.001965 0.335788 0.030403 N\n0.996550 0.331524 0.095723 N\n0.999298 0.339508 0.345780 N\n0.999156 0.331625 0.280866 N\n0.998614 0.337883 0.595707 N\n0.996392 0.332470 0.844633 N\n",
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"formula_full": "Mn17 Nb31 N48",
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"spacegroup": 149
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{
"id": "mp-1347378",
"created_at": "2022-09-04T14:45:19.296216Z",
"structure_string": "Bi4 As4 O20\n1.0\n6.711408 0.000000 0.000000\n0.000000 7.849549 0.000000\n0.000000 0.000000 8.622073\nBi As O\n4 4 20\ndirect\n0.252879 0.750938 0.995899 Bi\n0.247121 0.249062 0.495899 Bi\n0.747121 0.250938 0.504101 Bi\n0.752879 0.749062 0.004101 Bi\n0.483639 0.140401 0.832836 As\n0.016361 0.859599 0.332836 As\n0.516361 0.640401 0.667164 As\n0.983639 0.359599 0.167164 As\n0.998970 0.875516 0.906461 O\n0.501030 0.124484 0.406461 O\n0.001030 0.375516 0.593539 O\n0.498970 0.624484 0.093539 O\n0.502436 0.930236 0.925052 O\n0.997564 0.069764 0.425052 O\n0.497564 0.430236 0.574948 O\n0.002436 0.569764 0.074948 O\n0.446322 0.292773 0.961971 O\n0.053678 0.707227 0.461971 O\n0.553678 0.792773 0.538029 O\n0.946322 0.207227 0.038029 O\n0.710025 0.138912 0.730869 O\n0.789975 0.861088 0.230869 O\n0.289975 0.638912 0.769131 O\n0.210025 0.361088 0.269131 O\n0.283561 0.100589 0.706355 O\n0.216439 0.899411 0.206355 O\n0.716439 0.600589 0.793645 O\n0.783561 0.399411 0.293645 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Bi4 As4 O20",
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"spacegroup": 19
},
{
"id": "mp-1226676",
"created_at": "2022-09-04T14:45:19.313394Z",
"structure_string": "Ce1 Ga2 Cu3\n1.0\n2.646025 -4.442027 0.000000\n2.646025 4.442027 0.000000\n0.000000 0.000000 4.193800\nCe Ga Cu\n1 2 3\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.163764 0.836236 0.000000 Cu\n0.836236 0.163764 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n",
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"formula_full": "Ce1 Ga2 Cu3",
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{
"id": "mp-1188184",
"created_at": "2022-09-04T14:45:18.443317Z",
"structure_string": "Pr3 Ni13 B2\n1.0\n-2.524071 -4.371821 0.000024\n-2.522206 4.370744 -0.000012\n0.000026 0.000045 -10.959815\nPr Ni B\n3 13 2\ndirect\n0.999985 0.000000 0.999942 Pr\n0.999974 0.000000 0.329571 Pr\n0.000009 0.000000 0.670489 Pr\n0.500002 0.000000 0.500010 Ni\n0.500002 0.500001 0.500003 Ni\n0.000001 0.499999 0.500003 Ni\n0.333319 0.666663 0.319005 Ni\n0.666656 0.333337 0.319005 Ni\n0.666689 0.333357 0.680995 Ni\n0.333333 0.666643 0.680995 Ni\n0.499988 0.000000 0.133140 Ni\n0.499989 0.499999 0.133129 Ni\n0.999990 0.500001 0.133129 Ni\n0.499992 0.000000 0.866857 Ni\n0.499992 0.499999 0.866856 Ni\n0.999993 0.500001 0.866856 Ni\n0.333305 0.666625 0.000007 B\n0.666680 0.333375 0.000007 B\n",
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"volume": 241.75928577681455,
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{
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"structure_string": "Y1 Mg16 Al12\n1.0\n5.286996 -7.576900 0.000000\n5.286996 7.576900 0.000000\n-5.571610 0.000000 7.370136\nY Mg Al\n1 16 12\ndirect\n0.629256 0.629256 0.629256 Y\n0.345771 0.004339 0.004339 Mg\n0.282345 0.684565 0.684565 Mg\n0.001887 0.001887 0.001887 Mg\n0.719904 0.389530 0.389530 Mg\n0.998688 0.605743 0.311249 Mg\n0.605743 0.311249 0.998688 Mg\n0.389530 0.719904 0.389530 Mg\n0.004339 0.345771 0.004339 Mg\n0.311249 0.998688 0.605743 Mg\n0.684565 0.684565 0.282345 Mg\n0.684565 0.282345 0.684565 Mg\n0.311249 0.605743 0.998688 Mg\n0.004339 0.004339 0.345771 Mg\n0.389530 0.389530 0.719904 Mg\n0.605743 0.998688 0.311249 Mg\n0.998688 0.311249 0.605743 Mg\n0.189121 0.372176 0.372176 Al\n0.825946 0.189623 0.189623 Al\n0.998492 0.813696 0.634790 Al\n0.372176 0.372176 0.189121 Al\n0.634790 0.998492 0.813696 Al\n0.189623 0.189623 0.825946 Al\n0.813696 0.998492 0.634790 Al\n0.813696 0.634790 0.998492 Al\n0.189623 0.825946 0.189623 Al\n0.634790 0.813696 0.998492 Al\n0.372176 0.189121 0.372176 Al\n0.998492 0.634790 0.813696 Al\n",
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"spacegroup": 160
},
{
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"created_at": "2022-09-04T14:45:18.383126Z",
"structure_string": "Mg4 Si2 O8\n1.0\n-2.861114 2.926612 4.155385\n2.861114 -2.926612 4.155385\n2.861114 2.926612 -4.155385\nMg Si O\n4 2 8\ndirect\n0.859478 0.109478 0.750000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.140522 0.890522 0.250000 Mg\n0.500000 0.500000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.284830 0.248979 0.035851 O\n0.710326 0.221475 0.011149 O\n0.713128 0.248979 0.464149 O\n0.710326 0.699177 0.488851 O\n0.289674 0.300823 0.511149 O\n0.286872 0.751021 0.535851 O\n0.289674 0.778525 0.988851 O\n0.715170 0.751021 0.964149 O\n",
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},
{
"id": "mp-1245494",
"created_at": "2022-09-04T14:45:18.381688Z",
"structure_string": "Mn16 Zn16 N32\n1.0\n5.212250 0.000000 0.000000\n0.000000 11.111925 0.000000\n0.000000 0.000000 13.048747\nMn Zn N\n16 16 32\ndirect\n0.632042 0.952539 0.436468 Mn\n0.132042 0.547461 0.563532 Mn\n0.367958 0.452539 0.063532 Mn\n0.867958 0.047461 0.936468 Mn\n0.367958 0.047461 0.563532 Mn\n0.867958 0.452539 0.436468 Mn\n0.632042 0.547461 0.936468 Mn\n0.132042 0.952539 0.063532 Mn\n0.806612 0.295343 0.304693 Mn\n0.306612 0.204657 0.695307 Mn\n0.193388 0.795343 0.195307 Mn\n0.693388 0.704657 0.804693 Mn\n0.193388 0.704657 0.695307 Mn\n0.693388 0.795343 0.304693 Mn\n0.806612 0.204657 0.804693 Mn\n0.306612 0.295343 0.195307 Mn\n0.584803 0.044902 0.177931 Zn\n0.084803 0.455098 0.822069 Zn\n0.415197 0.544902 0.322069 Zn\n0.915197 0.955098 0.677931 Zn\n0.415197 0.955098 0.822069 Zn\n0.915197 0.544902 0.177931 Zn\n0.584803 0.455098 0.677931 Zn\n0.084803 0.044902 0.322069 Zn\n0.848700 0.292383 0.071410 Zn\n0.348700 0.207617 0.928590 Zn\n0.151300 0.792383 0.428590 Zn\n0.651300 0.707617 0.571410 Zn\n0.151300 0.707617 0.928590 Zn\n0.651300 0.792383 0.071410 Zn\n0.848700 0.207617 0.571410 Zn\n0.348700 0.292383 0.428590 Zn\n0.777206 0.465882 0.304559 N\n0.277206 0.034118 0.695441 N\n0.222794 0.965882 0.195441 N\n0.722794 0.534118 0.804559 N\n0.222794 0.534118 0.695441 N\n0.722794 0.965882 0.304559 N\n0.777206 0.034118 0.804559 N\n0.277206 0.465882 0.195441 N\n0.744722 0.299207 0.446480 N\n0.244722 0.200793 0.553520 N\n0.255278 0.799207 0.053520 N\n0.755278 0.700793 0.946480 N\n0.255278 0.700793 0.553520 N\n0.755278 0.799207 0.446480 N\n0.744722 0.200793 0.946480 N\n0.244722 0.299207 0.053520 N\n0.710393 0.465808 0.055830 N\n0.210393 0.034192 0.944170 N\n0.289607 0.965808 0.444170 N\n0.789607 0.534192 0.555830 N\n0.289607 0.534192 0.944170 N\n0.789607 0.965808 0.055830 N\n0.710393 0.034192 0.555830 N\n0.210393 0.465808 0.444170 N\n0.632270 0.225615 0.195415 N\n0.132270 0.274385 0.804585 N\n0.367730 0.725615 0.304585 N\n0.867730 0.774385 0.695415 N\n0.367730 0.774385 0.804585 N\n0.867730 0.725615 0.195415 N\n0.632270 0.274385 0.695415 N\n0.132270 0.225615 0.304585 N\n",
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"formula_full": "Mn16 Zn16 N32",
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},
{
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