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{
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{
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{
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{
"id": "mp-755386",
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"structure_string": "Li4 Co8 O16\n1.0\n4.860005 0.000000 0.000000\n0.000000 5.623961 0.000000\n0.000000 0.000000 10.103896\nLi Co O\n4 8 16\ndirect\n0.520289 0.500000 0.000000 Li\n0.856705 0.500000 0.500000 Li\n0.143295 0.000000 0.000000 Li\n0.479711 0.000000 0.500000 Li\n0.503918 0.000000 0.755059 Co\n0.496082 0.500000 0.744941 Co\n0.503918 0.000000 0.244941 Co\n0.496082 0.500000 0.255059 Co\n0.000000 0.750000 0.750000 Co\n0.000000 0.750000 0.250000 Co\n0.000000 0.250000 0.750000 Co\n0.000000 0.250000 0.250000 Co\n0.670366 0.751521 0.350280 O\n0.670366 0.751521 0.649720 O\n0.670366 0.248479 0.350280 O\n0.670366 0.248479 0.649720 O\n0.846085 0.000000 0.849530 O\n0.846085 0.000000 0.150470 O\n0.825936 0.500000 0.844985 O\n0.825936 0.500000 0.155015 O\n0.174064 0.000000 0.344985 O\n0.174064 0.000000 0.655015 O\n0.153915 0.500000 0.349530 O\n0.153915 0.500000 0.650470 O\n0.329634 0.748479 0.149720 O\n0.329634 0.251521 0.149720 O\n0.329634 0.748479 0.850280 O\n0.329634 0.251521 0.850280 O\n",
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"formula_full": "Li4 Co8 O16",
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{
"id": "mp-1080213",
"created_at": "2022-09-04T14:45:55.596880Z",
"structure_string": "Ca2 Mn8 O16\n1.0\n5.810001 0.000004 -0.000187\n2.903157 5.777570 -0.000104\n0.000093 0.000005 9.407208\nCa Mn O\n2 8 16\ndirect\n0.383095 0.984438 0.547022 Ca\n0.117072 0.515561 0.047016 Ca\n0.087667 0.574656 0.366128 Mn\n0.595971 0.558004 0.357791 Mn\n0.904019 0.942007 0.857797 Mn\n0.412334 0.925344 0.866135 Mn\n0.117098 0.012904 0.148042 Mn\n0.620070 0.012955 0.148031 Mn\n0.879921 0.486997 0.648040 Mn\n0.382824 0.487159 0.648019 Mn\n0.959354 0.831281 0.229589 O\n0.438194 0.873680 0.252734 O\n0.090744 0.087259 0.761861 O\n0.572101 0.087262 0.761866 O\n0.927907 0.412721 0.261851 O\n0.409257 0.412742 0.261848 O\n0.061768 0.626329 0.752733 O\n0.540635 0.668727 0.729591 O\n0.306072 0.137986 0.029036 O\n0.800538 0.149121 0.029547 O\n0.736251 0.785343 0.963136 O\n0.228355 0.785317 0.963124 O\n0.193906 0.362020 0.529028 O\n0.699402 0.350883 0.529539 O\n0.763794 0.714619 0.463118 O\n0.271650 0.714704 0.463117 O\n",
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{
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"structure_string": "La4 Lu4 S12\n1.0\n6.693480 0.000000 0.000000\n0.000000 7.335671 0.000000\n0.000000 0.000000 9.884712\nLa Lu S\n4 4 12\ndirect\n0.535271 0.405571 0.750000 La\n0.464729 0.594429 0.250000 La\n0.035271 0.094429 0.250000 La\n0.964729 0.905571 0.750000 La\n0.000000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.000000 0.000000 Lu\n0.822657 0.190372 0.567838 S\n0.177343 0.809628 0.067838 S\n0.322657 0.309628 0.067838 S\n0.677343 0.690372 0.567838 S\n0.822657 0.190372 0.932162 S\n0.177343 0.809628 0.432162 S\n0.322657 0.309628 0.432162 S\n0.677343 0.690372 0.932162 S\n0.864886 0.454246 0.250000 S\n0.135114 0.545754 0.750000 S\n0.364886 0.045754 0.750000 S\n0.635114 0.954246 0.250000 S\n",
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{
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"structure_string": "Mg4 Mn4 O8\n1.0\n3.104979 0.000000 0.000000\n0.029882 8.220733 0.000000\n0.888426 0.012465 8.463970\nMg Mn O\n4 4 8\ndirect\n0.653382 0.918885 0.244526 Mg\n0.346618 0.081115 0.755474 Mg\n0.250162 0.261752 0.381392 Mg\n0.749838 0.738248 0.618608 Mg\n0.027141 0.752503 0.924406 Mn\n0.294647 0.599456 0.285269 Mn\n0.705353 0.400544 0.714731 Mn\n0.972859 0.247497 0.075594 Mn\n0.524241 0.246785 0.916473 O\n0.221726 0.606145 0.717636 O\n0.778274 0.393855 0.282364 O\n0.475759 0.753215 0.083527 O\n0.848332 0.927901 0.754043 O\n0.762761 0.740057 0.392353 O\n0.151668 0.072099 0.245957 O\n0.237239 0.259943 0.607647 O\n",
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{
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"structure_string": "In4 Sb4 P16 O56\n1.0\n8.087903 0.000000 0.000000\n0.000000 8.123059 0.000000\n0.000000 0.000000 16.389777\nIn Sb P O\n4 4 16 56\ndirect\n0.986426 0.246236 0.372737 In\n0.013574 0.746236 0.627263 In\n0.513574 0.746236 0.872737 In\n0.486426 0.246236 0.127263 In\n0.985906 0.745356 0.122197 Sb\n0.014094 0.245356 0.877803 Sb\n0.514094 0.245356 0.622197 Sb\n0.485906 0.745356 0.377803 Sb\n0.090562 0.366241 0.066949 P\n0.909438 0.866241 0.933051 P\n0.409438 0.866241 0.566949 P\n0.590562 0.366241 0.433051 P\n0.893107 0.129882 0.169508 P\n0.106893 0.629882 0.830492 P\n0.606893 0.629882 0.669508 P\n0.393107 0.129882 0.330492 P\n0.100574 0.644400 0.313466 P\n0.899426 0.144400 0.686534 P\n0.399426 0.144400 0.813466 P\n0.600574 0.644400 0.186534 P\n0.878279 0.846741 0.424000 P\n0.121721 0.346741 0.576000 P\n0.621721 0.346741 0.924000 P\n0.378279 0.846741 0.076000 P\n0.141045 0.526621 0.597151 O\n0.858955 0.026621 0.402849 O\n0.358955 0.026621 0.097151 O\n0.641045 0.526621 0.902849 O\n0.022750 0.298991 0.502644 O\n0.977250 0.798991 0.497356 O\n0.477250 0.798991 0.002644 O\n0.522750 0.298991 0.997356 O\n0.920650 0.134462 0.780198 O\n0.079350 0.634462 0.219802 O\n0.579350 0.634462 0.280198 O\n0.420650 0.134462 0.719802 O\n0.045361 0.260383 0.657399 O\n0.954639 0.760383 0.342601 O\n0.454639 0.760383 0.157399 O\n0.545361 0.260383 0.842601 O\n0.237212 0.237080 0.829594 O\n0.762788 0.737080 0.170406 O\n0.262788 0.737080 0.329594 O\n0.737212 0.237080 0.670406 O\n0.472170 0.517925 0.424907 O\n0.527830 0.017925 0.575093 O\n0.027830 0.017925 0.924907 O\n0.972170 0.517925 0.075093 O\n0.203598 0.763892 0.069024 O\n0.796401 0.263892 0.930976 O\n0.296401 0.263892 0.569024 O\n0.703599 0.763892 0.430976 O\n0.021962 0.713928 0.910000 O\n0.978038 0.213928 0.090000 O\n0.478038 0.213928 0.410000 O\n0.521962 0.713928 0.590000 O\n0.099496 0.478522 0.352928 O\n0.900504 0.978522 0.647072 O\n0.400504 0.978522 0.852928 O\n0.599496 0.478522 0.147072 O\n0.505416 0.464241 0.676087 O\n0.494584 0.964241 0.323913 O\n0.994584 0.964241 0.176087 O\n0.005416 0.464241 0.823913 O\n0.068762 0.733020 0.756599 O\n0.931238 0.233020 0.243401 O\n0.431238 0.233020 0.256599 O\n0.568762 0.733020 0.743401 O\n0.371683 0.836732 0.474998 O\n0.628317 0.336732 0.525002 O\n0.128317 0.336732 0.974998 O\n0.871683 0.836732 0.025002 O\n0.247712 0.376887 0.114910 O\n0.752288 0.876887 0.885090 O\n0.252288 0.876887 0.614910 O\n0.747712 0.376887 0.385090 O\n0.286045 0.605860 0.853777 O\n0.713955 0.105860 0.146223 O\n0.213955 0.105860 0.353777 O\n0.786045 0.605860 0.646223 O\n",
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{
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"structure_string": "Ho20 Cd10 S40\n1.0\n4.009356 6.863160 0.000000\n-4.009356 6.863160 0.000000\n0.000000 4.799411 32.680416\nHo Cd S\n20 10 40\ndirect\n0.003943 0.003943 0.999314 Ho\n0.380314 0.872702 0.875383 Ho\n0.404394 0.404394 0.799387 Ho\n0.872702 0.380314 0.875383 Ho\n0.675849 0.675849 0.973883 Ho\n0.780404 0.272714 0.675503 Ho\n0.272714 0.780404 0.675503 Ho\n0.804380 0.804380 0.599502 Ho\n0.075809 0.075809 0.773914 Ho\n0.180653 0.672742 0.475630 Ho\n0.672742 0.180653 0.475630 Ho\n0.475519 0.475519 0.574211 Ho\n0.577794 0.074185 0.273777 Ho\n0.074185 0.577794 0.273777 Ho\n0.872761 0.872761 0.374211 Ho\n0.074442 0.074442 0.273809 Ho\n0.977148 0.472907 0.075908 Ho\n0.202958 0.202958 0.400297 Ho\n0.278064 0.278064 0.174113 Ho\n0.472907 0.977148 0.075908 Ho\n0.346157 0.346157 0.951231 Cd\n0.745903 0.745903 0.750664 Cd\n0.870819 0.870819 0.875684 Cd\n0.145844 0.145844 0.550944 Cd\n0.270582 0.270582 0.675869 Cd\n0.548185 0.548185 0.350417 Cd\n0.670275 0.670275 0.476086 Cd\n0.947703 0.947703 0.148931 Cd\n0.601943 0.601943 0.198269 Cd\n0.472812 0.472812 0.076743 Cd\n0.535118 0.535118 0.923460 S\n0.532457 0.006183 0.923962 S\n0.721804 0.721804 0.829281 S\n0.006183 0.532457 0.923962 S\n0.747531 0.214601 0.826358 S\n0.935066 0.935066 0.723395 S\n0.932574 0.405861 0.723851 S\n0.121798 0.121798 0.629203 S\n0.027801 0.027801 0.919793 S\n0.214601 0.747531 0.826358 S\n0.215006 0.215006 0.826394 S\n0.405861 0.932574 0.723851 S\n0.335072 0.335072 0.523320 S\n0.147533 0.614871 0.626208 S\n0.332768 0.806001 0.523722 S\n0.427863 0.427863 0.719771 S\n0.521442 0.521442 0.428867 S\n0.614871 0.147533 0.626208 S\n0.806001 0.332768 0.523722 S\n0.614982 0.614982 0.626281 S\n0.735267 0.735267 0.323185 S\n0.546626 0.015191 0.426362 S\n0.923628 0.923628 0.229533 S\n0.827826 0.827826 0.519710 S\n0.736662 0.203412 0.323500 S\n0.015191 0.546626 0.426362 S\n0.013910 0.013910 0.426276 S\n0.203412 0.736662 0.323500 S\n0.945445 0.413761 0.226965 S\n0.135798 0.135798 0.124192 S\n0.226887 0.226887 0.320244 S\n0.322741 0.322741 0.030072 S\n0.131267 0.606132 0.124298 S\n0.413761 0.945445 0.226965 S\n0.414865 0.414865 0.227298 S\n0.606132 0.131267 0.124298 S\n0.347054 0.815384 0.026258 S\n0.627240 0.627240 0.120258 S\n0.815384 0.347054 0.026258 S\n0.814670 0.814670 0.026621 S\n",
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],
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"updated_at": "2021-11-28T01:37:15.201000Z",
"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:45:55.630970Z",
"structure_string": "Sr8 Pb4 N8\n1.0\n6.589099 0.081391 0.000000\n10.788164 5.159845 0.000000\n0.000000 0.000000 12.986313\nSr Pb N\n8 4 8\ndirect\n0.000000 0.460495 0.859687 Sr\n0.000000 0.539505 0.140313 Sr\n0.000000 0.039505 0.359687 Sr\n0.000000 0.960495 0.640313 Sr\n0.000000 0.141764 0.956935 Sr\n0.000000 0.858236 0.043065 Sr\n0.000000 0.358236 0.456935 Sr\n0.000000 0.641764 0.543065 Sr\n0.000000 0.253273 0.687116 Pb\n0.000000 0.746727 0.312884 Pb\n0.000000 0.246727 0.187116 Pb\n0.000000 0.753273 0.812884 Pb\n0.000000 0.434546 0.639688 N\n0.000000 0.565454 0.360312 N\n0.000000 0.065454 0.139688 N\n0.000000 0.934546 0.860312 N\n0.000000 0.152880 0.544210 N\n0.000000 0.847120 0.455790 N\n0.000000 0.347120 0.044210 N\n0.000000 0.652880 0.955790 N\n",
"nsites": 20,
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"elements": [
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"chemical_system": "N-Pb-Sr",
"density": 6.338521468315589,
"density_atomic": 0.04649915009312823,
"volume": 430.11538834460663,
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"formula_full": "Sr8 Pb4 N8",
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"formula_anonymous": "AB2C2",
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},
{
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"structure_string": "Sc1 Zn2 Cu1\n1.0\n0.000000 3.133842 3.133842\n3.133842 0.000000 3.133842\n3.133842 3.133842 0.000000\nSc Zn Cu\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Cu\n",
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"density": 6.456046446443334,
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{
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"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n6.218402 0.000000 0.000000\n0.000000 5.159730 0.000000\n0.000000 0.536939 8.678073\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.975435 0.219773 0.204889 Li\n0.475435 0.780227 0.795111 Li\n0.753725 0.786714 0.340549 Mn\n0.253725 0.213286 0.659451 Mn\n0.257789 0.725684 0.430458 P\n0.757789 0.274316 0.569542 P\n0.747620 0.722210 0.067187 C\n0.247620 0.277790 0.932813 C\n0.450442 0.793497 0.323655 O\n0.757651 0.951517 0.127399 O\n0.266481 0.466246 0.821966 O\n0.766481 0.533754 0.178034 O\n0.563214 0.185060 0.671121 O\n0.767377 0.136248 0.416877 O\n0.950442 0.206503 0.676345 O\n0.257651 0.048483 0.872601 O\n0.063214 0.814940 0.328879 O\n0.246565 0.427914 0.470960 O\n0.716900 0.686983 0.930002 O\n0.216900 0.313017 0.069998 O\n0.746565 0.572086 0.529040 O\n0.267377 0.863752 0.583123 O\n",
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]
}