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{
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"results": [
{
"id": "mp-553942",
"created_at": "2022-09-04T14:47:10.236247Z",
"structure_string": "Cu4 S2\n1.0\n2.124471 -3.679692 0.000000\n2.124471 3.679692 0.000000\n0.000000 0.000000 5.365059\nCu S\n4 2\ndirect\n0.000000 0.000000 0.250000 Cu\n0.666667 0.333333 0.250000 Cu\n0.333333 0.666667 0.750000 Cu\n0.000000 0.000000 0.750000 Cu\n0.333333 0.666667 0.250000 S\n0.666667 0.333333 0.750000 S\n",
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{
"id": "mp-868020",
"created_at": "2022-09-04T14:47:12.114039Z",
"structure_string": "Nb12 Cd2 Br32 O36\n1.0\n0.000000 10.763932 10.763932\n10.763932 0.000000 10.763932\n10.763932 10.763932 0.000000\nNb Cd Br O\n12 2 32 36\ndirect\n0.351987 0.351987 0.648013 Nb\n0.648013 0.648013 0.351987 Nb\n0.351987 0.648013 0.351987 Nb\n0.648013 0.351987 0.648013 Nb\n0.648013 0.351987 0.351987 Nb\n0.351987 0.648013 0.648013 Nb\n0.898013 0.898013 0.601987 Nb\n0.601987 0.601987 0.898013 Nb\n0.898013 0.601987 0.898013 Nb\n0.601987 0.898013 0.601987 Nb\n0.601987 0.898013 0.898013 Nb\n0.898013 0.601987 0.601987 Nb\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cd\n0.261125 0.497793 0.497793 Br\n0.497793 0.261125 0.743288 Br\n0.497793 0.743288 0.261125 Br\n0.743288 0.497793 0.497793 Br\n0.497793 0.497793 0.261125 Br\n0.261125 0.743288 0.497793 Br\n0.743288 0.261125 0.497793 Br\n0.497793 0.497793 0.743288 Br\n0.497793 0.261125 0.497793 Br\n0.743288 0.497793 0.261125 Br\n0.261125 0.497793 0.743288 Br\n0.497793 0.743288 0.497793 Br\n0.988875 0.752207 0.752207 Br\n0.752207 0.988875 0.506712 Br\n0.752207 0.506712 0.988875 Br\n0.506712 0.752207 0.752207 Br\n0.752207 0.752207 0.988875 Br\n0.988875 0.506712 0.752207 Br\n0.506712 0.988875 0.752207 Br\n0.752207 0.752207 0.506712 Br\n0.752207 0.988875 0.752207 Br\n0.506712 0.752207 0.988875 Br\n0.988875 0.752207 0.506712 Br\n0.752207 0.506712 0.752207 Br\n0.037079 0.320974 0.320974 Br\n0.320974 0.037079 0.320974 Br\n0.320974 0.320974 0.037079 Br\n0.320974 0.320974 0.320974 Br\n0.212921 0.929026 0.929026 Br\n0.929026 0.212921 0.929026 Br\n0.929026 0.929026 0.212921 Br\n0.929026 0.929026 0.929026 Br\n0.272442 0.272442 0.727558 O\n0.727558 0.727558 0.272442 O\n0.272442 0.727558 0.272442 O\n0.727558 0.272442 0.727558 O\n0.727558 0.272442 0.272442 O\n0.272442 0.727558 0.727558 O\n0.977558 0.977558 0.522442 O\n0.522442 0.522442 0.977558 O\n0.977558 0.522442 0.977558 O\n0.522442 0.977558 0.522442 O\n0.522442 0.977558 0.977558 O\n0.977558 0.522442 0.522442 O\n0.600394 0.183238 0.183238 O\n0.183238 0.600394 0.033131 O\n0.183238 0.033131 0.600394 O\n0.033131 0.183238 0.183238 O\n0.183238 0.183238 0.600394 O\n0.600394 0.033131 0.183238 O\n0.033131 0.600394 0.183238 O\n0.183238 0.183238 0.033131 O\n0.183238 0.600394 0.183238 O\n0.033131 0.183238 0.600394 O\n0.600394 0.183238 0.033131 O\n0.183238 0.033131 0.183238 O\n0.649606 0.066762 0.066762 O\n0.066762 0.649606 0.216869 O\n0.066762 0.216869 0.649606 O\n0.216869 0.066762 0.066762 O\n0.066762 0.066762 0.649606 O\n0.649606 0.216869 0.066762 O\n0.216869 0.649606 0.066762 O\n0.066762 0.066762 0.216869 O\n0.066762 0.649606 0.066762 O\n0.216869 0.066762 0.649606 O\n0.649606 0.066762 0.216869 O\n0.066762 0.216869 0.066762 O\n",
"nsites": 82,
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"elements": [
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"Cd",
"Br",
"O"
],
"chemical_system": "Br-Cd-Nb-O",
"density": 2.9776030895504713,
"density_atomic": 0.032875398076475944,
"volume": 2494.266375398668,
"volume_molar": 18.318077079982658,
"formula_full": "Nb12 Cd2 Br32 O36",
"formula_reduced": "Nb6Cd(Br8O9)2",
"formula_anonymous": "AB6C16D18",
"energy": -402.19029335,
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"updated_at": "2021-11-28T01:38:01.379000Z",
"spacegroup": 227
},
{
"id": "mp-24507",
"created_at": "2022-09-04T14:47:08.645447Z",
"structure_string": "Na24 Zn12 P16 H24 O76\n1.0\n12.081437 0.000000 0.000000\n0.000000 12.081437 0.000000\n0.000000 0.000000 12.081437\nNa Zn P H O\n24 12 16 24 76\ndirect\n0.327552 0.506040 0.248102 Na\n0.248102 0.327552 0.506040 Na\n0.506040 0.248102 0.327552 Na\n0.993960 0.751898 0.827552 Na\n0.748102 0.172448 0.493960 Na\n0.493960 0.748102 0.172448 Na\n0.251898 0.672448 0.006040 Na\n0.751898 0.827552 0.993960 Na\n0.006040 0.251898 0.672448 Na\n0.827552 0.993960 0.751898 Na\n0.672448 0.006040 0.251898 Na\n0.172448 0.493960 0.748102 Na\n0.423712 0.009791 0.740412 Na\n0.740412 0.423712 0.009791 Na\n0.009791 0.740412 0.423712 Na\n0.490209 0.259588 0.923712 Na\n0.240412 0.076288 0.990209 Na\n0.990209 0.240412 0.076288 Na\n0.759588 0.576288 0.509791 Na\n0.259588 0.923712 0.490209 Na\n0.509791 0.759588 0.576288 Na\n0.923712 0.490209 0.259588 Na\n0.576288 0.509791 0.759588 Na\n0.076288 0.990209 0.240412 Na\n0.375032 0.002399 0.242528 Zn\n0.242528 0.375032 0.002399 Zn\n0.002399 0.242528 0.375032 Zn\n0.497601 0.757472 0.875032 Zn\n0.742528 0.124968 0.997601 Zn\n0.997601 0.742528 0.124968 Zn\n0.257472 0.624968 0.502399 Zn\n0.757472 0.875032 0.497601 Zn\n0.502399 0.257472 0.624968 Zn\n0.875032 0.497601 0.757472 Zn\n0.624968 0.502399 0.257472 Zn\n0.124968 0.997601 0.742528 Zn\n0.518261 0.981739 0.018261 P\n0.018261 0.518261 0.981739 P\n0.981739 0.018261 0.518261 P\n0.481739 0.481739 0.481739 P\n0.531023 0.031023 0.468977 P\n0.468977 0.531023 0.031023 P\n0.031023 0.468977 0.531023 P\n0.968977 0.968977 0.968977 P\n0.218585 0.781415 0.281415 P\n0.281415 0.218585 0.781415 P\n0.781415 0.281415 0.218585 P\n0.718585 0.718585 0.718585 P\n0.231195 0.231195 0.231195 P\n0.268805 0.768805 0.731195 P\n0.731195 0.268805 0.768805 P\n0.768805 0.731195 0.268805 P\n0.548452 0.176248 0.115965 H\n0.115965 0.548452 0.176248 H\n0.176248 0.115965 0.548452 H\n0.323752 0.884035 0.048452 H\n0.615965 0.951548 0.823752 H\n0.823752 0.615965 0.951548 H\n0.384035 0.451548 0.676248 H\n0.884035 0.048452 0.323752 H\n0.676248 0.384035 0.451548 H\n0.048452 0.323752 0.884035 H\n0.451548 0.676248 0.384035 H\n0.951548 0.823752 0.615965 H\n0.424103 0.204840 0.133260 H\n0.133260 0.424103 0.204840 H\n0.204840 0.133260 0.424103 H\n0.295160 0.866740 0.924103 H\n0.633260 0.075897 0.795160 H\n0.795160 0.633260 0.075897 H\n0.366740 0.575897 0.704840 H\n0.866740 0.924103 0.295160 H\n0.704840 0.366740 0.575897 H\n0.924103 0.295160 0.866740 H\n0.575897 0.704840 0.366740 H\n0.075897 0.795160 0.633260 H\n0.445798 0.054202 0.945798 O\n0.945798 0.445798 0.054202 O\n0.054202 0.945798 0.445798 O\n0.554202 0.554202 0.554202 O\n0.458158 0.958158 0.541842 O\n0.541842 0.458158 0.958158 O\n0.958158 0.541842 0.458158 O\n0.041842 0.041842 0.041842 O\n0.291291 0.708709 0.208709 O\n0.208709 0.291291 0.708709 O\n0.708709 0.208709 0.291291 O\n0.791291 0.791291 0.791291 O\n0.304070 0.304070 0.304070 O\n0.195930 0.695930 0.804070 O\n0.804070 0.195930 0.695930 O\n0.695930 0.804070 0.195930 O\n0.451392 0.928521 0.116492 O\n0.116492 0.451392 0.928521 O\n0.928521 0.116492 0.451392 O\n0.571479 0.883508 0.951392 O\n0.616492 0.048608 0.071479 O\n0.071479 0.616492 0.048608 O\n0.383508 0.548608 0.428521 O\n0.883508 0.951392 0.571479 O\n0.428521 0.383508 0.548608 O\n0.951392 0.571479 0.883508 O\n0.548608 0.428521 0.383508 O\n0.048608 0.071479 0.616492 O\n0.299055 0.135260 0.174710 O\n0.174710 0.299055 0.135260 O\n0.135260 0.174710 0.299055 O\n0.364740 0.825290 0.799055 O\n0.674710 0.200945 0.864740 O\n0.864740 0.674710 0.200945 O\n0.325290 0.700945 0.635260 O\n0.825290 0.799055 0.364740 O\n0.635260 0.325290 0.700945 O\n0.799055 0.364740 0.825290 O\n0.700945 0.635260 0.325290 O\n0.200945 0.864740 0.674710 O\n0.256331 0.905608 0.286844 O\n0.286844 0.256331 0.905608 O\n0.905608 0.286844 0.256331 O\n0.594392 0.713156 0.756331 O\n0.786844 0.243669 0.094392 O\n0.094392 0.786844 0.243669 O\n0.213156 0.743669 0.405608 O\n0.713156 0.756331 0.594392 O\n0.405608 0.213156 0.743669 O\n0.756331 0.594392 0.713156 O\n0.743669 0.405608 0.213156 O\n0.243669 0.094392 0.786844 O\n0.484435 0.050343 0.348992 O\n0.348992 0.484435 0.050343 O\n0.050343 0.348992 0.484435 O\n0.449657 0.651008 0.984435 O\n0.848992 0.015565 0.949657 O\n0.949657 0.848992 0.015565 O\n0.151008 0.515565 0.550343 O\n0.651008 0.984435 0.449657 O\n0.550343 0.151008 0.515565 O\n0.984435 0.449657 0.651008 O\n0.515565 0.550343 0.151008 O\n0.015565 0.949657 0.848992 O\n0.498076 0.240004 0.126763 O\n0.126763 0.498076 0.240004 O\n0.240004 0.126763 0.498076 O\n0.259996 0.873237 0.998076 O\n0.626763 0.001924 0.759996 O\n0.759996 0.626763 0.001924 O\n0.373237 0.501924 0.740004 O\n0.873237 0.998076 0.259996 O\n0.740004 0.373237 0.501924 O\n0.998076 0.259996 0.873237 O\n0.501924 0.740004 0.373237 O\n0.001924 0.759996 0.626763 O\n",
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"formula_full": "Na24 Zn12 P16 H24 O76",
"formula_reduced": "Na6Zn3P4H6O19",
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"energy": -926.05355328,
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{
"id": "mp-1202632",
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"structure_string": "Tm16 B4 Cl4 O28\n1.0\n7.957108 0.000000 0.000000\n0.000000 8.490831 0.000000\n0.000000 5.912320 10.535012\nTm B Cl O\n16 4 4 28\ndirect\n0.624696 0.795837 0.222400 Tm\n0.875304 0.795837 0.722400 Tm\n0.375304 0.204163 0.777600 Tm\n0.124696 0.204163 0.277600 Tm\n0.617389 0.426293 0.907799 Tm\n0.882611 0.426293 0.407799 Tm\n0.382611 0.573707 0.092201 Tm\n0.117389 0.573707 0.592201 Tm\n0.639303 0.567714 0.581799 Tm\n0.860697 0.567714 0.081799 Tm\n0.360697 0.432286 0.418201 Tm\n0.139303 0.432286 0.918201 Tm\n0.614739 0.182719 0.278293 Tm\n0.885261 0.182719 0.778293 Tm\n0.385261 0.817281 0.721707 Tm\n0.114739 0.817281 0.221707 Tm\n0.869367 0.869802 0.413890 B\n0.630633 0.869802 0.913890 B\n0.130633 0.130198 0.586110 B\n0.369367 0.130198 0.086110 B\n0.848414 0.119351 0.030650 Cl\n0.651586 0.119351 0.530650 Cl\n0.151586 0.880649 0.969350 Cl\n0.348414 0.880649 0.469350 Cl\n0.622430 0.540044 0.402835 O\n0.877570 0.540044 0.902835 O\n0.377570 0.459956 0.597165 O\n0.122430 0.459956 0.097165 O\n0.637273 0.310617 0.772946 O\n0.862727 0.310617 0.272946 O\n0.362727 0.689383 0.227054 O\n0.137273 0.689383 0.727054 O\n0.617125 0.679810 0.717563 O\n0.882875 0.679810 0.217563 O\n0.382875 0.320190 0.282437 O\n0.117125 0.320190 0.782437 O\n0.621139 0.425462 0.092652 O\n0.878861 0.425462 0.592652 O\n0.378861 0.574538 0.907348 O\n0.121139 0.574538 0.407348 O\n0.890802 0.771921 0.544179 O\n0.609198 0.771921 0.044179 O\n0.109198 0.228079 0.455821 O\n0.390802 0.228079 0.955821 O\n0.004425 0.939124 0.333311 O\n0.495575 0.939124 0.833311 O\n0.995575 0.060876 0.666689 O\n0.504425 0.060876 0.166689 O\n0.708984 0.886730 0.365940 O\n0.791016 0.886730 0.865940 O\n0.291016 0.113270 0.634060 O\n0.208984 0.113270 0.134060 O\n",
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{
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{
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}