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{
"id": "mp-1200485",
"created_at": "2022-09-04T14:48:20.621381Z",
"structure_string": "Nd12 Fe26 As2\n1.0\n7.998751 0.000000 0.000000\n0.000000 7.998751 0.000000\n-3.999375 -3.999375 11.518482\nNd Fe As\n12 26 2\ndirect\n0.607131 0.607131 0.214261 Nd\n0.107131 0.107131 0.214261 Nd\n0.392869 0.392869 0.785739 Nd\n0.892869 0.892869 0.785739 Nd\n0.976964 0.476964 0.624364 Nd\n0.647400 0.147400 0.624364 Nd\n0.147400 0.976964 0.624364 Nd\n0.476964 0.647400 0.624364 Nd\n0.023036 0.523036 0.375636 Nd\n0.352600 0.852600 0.375636 Nd\n0.852600 0.023036 0.375636 Nd\n0.523036 0.352600 0.375636 Nd\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.708724 0.566217 0.000000 Fe\n0.291276 0.433783 0.000000 Fe\n0.791276 0.066217 0.000000 Fe\n0.208724 0.933783 0.000000 Fe\n0.566217 0.291276 0.000000 Fe\n0.433783 0.708724 0.000000 Fe\n0.066217 0.208724 0.000000 Fe\n0.933783 0.791276 0.000000 Fe\n0.119378 0.619378 0.880261 Fe\n0.760883 0.260883 0.880261 Fe\n0.260883 0.119378 0.880261 Fe\n0.619378 0.760883 0.880261 Fe\n0.880622 0.380622 0.119739 Fe\n0.239117 0.739117 0.119739 Fe\n0.739117 0.880622 0.119739 Fe\n0.380622 0.239117 0.119739 Fe\n0.291404 0.791404 0.809990 Fe\n0.518587 0.018587 0.809990 Fe\n0.018587 0.291404 0.809990 Fe\n0.791404 0.518587 0.809990 Fe\n0.708596 0.208596 0.190010 Fe\n0.481413 0.981413 0.190010 Fe\n0.981413 0.708596 0.190010 Fe\n0.208596 0.481413 0.190010 Fe\n0.250000 0.250000 0.500000 As\n0.750000 0.750000 0.500000 As\n",
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{
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"structure_string": "Mo12 H24 C24 O48\n1.0\n13.397710 0.000000 0.000000\n0.000000 5.885122 0.000000\n0.000000 1.195217 19.756461\nMo H C O\n12 24 24 48\ndirect\n0.946648 0.734722 0.660086 Mo\n0.552696 0.315232 0.510485 Mo\n0.947304 0.315232 0.010485 Mo\n0.447304 0.684768 0.489515 Mo\n0.053352 0.265278 0.339914 Mo\n0.446648 0.265278 0.839914 Mo\n0.993200 0.657927 0.287200 Mo\n0.493200 0.342073 0.212800 Mo\n0.052696 0.684768 0.989515 Mo\n0.006800 0.342073 0.712800 Mo\n0.553352 0.734722 0.160086 Mo\n0.506800 0.657927 0.787200 Mo\n0.127912 0.367940 0.824967 H\n0.799804 0.002315 0.242009 H\n0.715278 0.579850 0.330708 H\n0.272709 0.757479 0.915530 H\n0.200196 0.997685 0.757991 H\n0.872088 0.632060 0.175033 H\n0.743018 0.012001 0.904603 H\n0.784722 0.579850 0.830708 H\n0.372088 0.367940 0.324967 H\n0.348893 0.478429 0.032755 H\n0.256982 0.987999 0.095397 H\n0.700196 0.002315 0.742009 H\n0.243018 0.987999 0.595397 H\n0.772709 0.242521 0.584470 H\n0.848893 0.521571 0.467245 H\n0.215278 0.420150 0.169292 H\n0.227291 0.757479 0.415530 H\n0.299804 0.997685 0.257991 H\n0.727291 0.242521 0.084470 H\n0.627912 0.632060 0.675033 H\n0.756982 0.012001 0.404603 H\n0.651107 0.521571 0.967245 H\n0.151107 0.478429 0.532755 H\n0.284722 0.420150 0.669292 H\n0.394120 0.472128 0.279305 C\n0.894120 0.527872 0.220695 C\n0.603464 0.499799 0.922440 C\n0.265185 0.947172 0.543860 C\n0.105880 0.472128 0.779305 C\n0.765185 0.052828 0.956140 C\n0.668421 0.321023 0.114103 C\n0.142497 0.868754 0.750144 C\n0.642497 0.131246 0.749856 C\n0.396536 0.500201 0.077560 C\n0.831579 0.321023 0.614103 C\n0.857503 0.131246 0.249856 C\n0.234815 0.947172 0.043860 C\n0.339014 0.435144 0.710872 C\n0.896536 0.499799 0.422440 C\n0.605880 0.527872 0.720695 C\n0.839014 0.564856 0.789128 C\n0.357503 0.868754 0.250144 C\n0.734815 0.052828 0.456140 C\n0.660986 0.564856 0.289128 C\n0.160986 0.435144 0.210872 C\n0.168421 0.678977 0.385897 C\n0.103464 0.500201 0.577560 C\n0.331579 0.678977 0.885897 C\n0.347966 0.259476 0.751607 O\n0.931390 0.083840 0.287461 O\n0.336733 0.780914 0.544663 O\n0.894511 0.660977 0.376325 O\n0.525038 0.160320 0.584197 O\n0.770076 0.963295 0.507516 O\n0.337312 0.463012 0.890865 O\n0.575955 0.625596 0.534737 O\n0.838898 0.324937 0.215836 O\n0.947400 0.316761 0.422100 O\n0.162688 0.463012 0.390865 O\n0.068610 0.916160 0.712539 O\n0.112029 0.814683 0.350504 O\n0.163267 0.780914 0.044663 O\n0.114853 0.623530 0.213191 O\n0.837312 0.536988 0.609135 O\n0.338898 0.675063 0.284164 O\n0.229924 0.036705 0.492484 O\n0.424045 0.374404 0.465263 O\n0.614853 0.376470 0.286809 O\n0.663267 0.219086 0.455337 O\n0.885147 0.376470 0.786809 O\n0.662688 0.536988 0.109135 O\n0.075955 0.374404 0.965263 O\n0.847966 0.740524 0.748393 O\n0.924045 0.625596 0.034737 O\n0.552600 0.316761 0.922100 O\n0.974962 0.160320 0.084197 O\n0.161102 0.675063 0.784164 O\n0.447400 0.683239 0.077900 O\n0.052600 0.683239 0.577900 O\n0.387971 0.814683 0.850504 O\n0.887971 0.185317 0.649496 O\n0.729924 0.963295 0.007516 O\n0.612029 0.185317 0.149496 O\n0.025038 0.839680 0.915803 O\n0.152034 0.259476 0.251607 O\n0.474962 0.839680 0.415803 O\n0.105489 0.339023 0.623675 O\n0.270076 0.036705 0.992484 O\n0.661102 0.324937 0.715836 O\n0.652034 0.740524 0.248393 O\n0.385147 0.623530 0.713191 O\n0.431390 0.916160 0.212539 O\n0.568610 0.083840 0.787461 O\n0.836733 0.219086 0.955337 O\n0.394511 0.339023 0.123675 O\n0.605489 0.660977 0.876325 O\n",
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"elements": [
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"density": 2.3789725768926524,
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"volume": 1557.740799431747,
"volume_molar": 8.686050334974917,
"formula_full": "Mo12 H24 C24 O48",
"formula_reduced": "MoH2(CO2)2",
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"updated_at": "2021-11-28T01:39:33.095000Z",
"spacegroup": 14
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{
"id": "mp-1214545",
"created_at": "2022-09-04T14:48:17.766206Z",
"structure_string": "Ba10 As6 S2 O24\n1.0\n5.407461 -9.365998 0.000000\n5.407461 9.365998 0.000000\n0.000000 0.000000 7.853725\nBa As S O\n10 6 2 24\ndirect\n0.333333 0.666667 0.498879 Ba\n0.666667 0.333333 0.501121 Ba\n0.666667 0.333333 0.998879 Ba\n0.333333 0.666667 0.001121 Ba\n0.254579 0.247809 0.750000 Ba\n0.745421 0.752191 0.250000 Ba\n0.752191 0.006770 0.750000 Ba\n0.247809 0.993230 0.250000 Ba\n0.993230 0.745421 0.750000 Ba\n0.006770 0.254579 0.250000 Ba\n0.033314 0.410373 0.750000 As\n0.966686 0.589627 0.250000 As\n0.589627 0.622941 0.750000 As\n0.410373 0.377059 0.250000 As\n0.377059 0.966686 0.750000 As\n0.622941 0.033314 0.250000 As\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.090676 0.358759 0.572575 O\n0.909324 0.641241 0.427425 O\n0.641241 0.731917 0.572575 O\n0.909324 0.641241 0.072575 O\n0.358759 0.268083 0.427425 O\n0.090676 0.358759 0.927425 O\n0.268083 0.909324 0.572575 O\n0.358759 0.268083 0.072575 O\n0.731917 0.090676 0.427425 O\n0.641241 0.731917 0.927425 O\n0.731917 0.090676 0.072575 O\n0.268083 0.909324 0.927425 O\n0.490039 0.149539 0.750000 O\n0.509961 0.850461 0.250000 O\n0.850461 0.340500 0.750000 O\n0.149539 0.659500 0.250000 O\n0.659500 0.509961 0.750000 O\n0.340500 0.490039 0.250000 O\n0.124146 0.595800 0.750000 O\n0.875854 0.404200 0.250000 O\n0.404200 0.528346 0.750000 O\n0.595800 0.471654 0.250000 O\n0.471654 0.875854 0.750000 O\n0.528346 0.124146 0.250000 O\n",
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{
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{
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{
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{
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