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{
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"results": [
{
"id": "mp-554616",
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"structure_string": "Si2 Ni4 P8 O28\n1.0\n2.487139 8.530751 0.000000\n-2.487139 8.530751 0.000000\n0.000000 2.901083 11.994326\nSi Ni P O\n2 4 8 28\ndirect\n0.659344 0.340656 0.750000 Si\n0.340656 0.659344 0.250000 Si\n0.897703 0.597391 0.371004 Ni\n0.402609 0.102297 0.128996 Ni\n0.597391 0.897703 0.871004 Ni\n0.102297 0.402609 0.628996 Ni\n0.994293 0.258856 0.863543 P\n0.198003 0.529467 0.916124 P\n0.005707 0.741144 0.136457 P\n0.470533 0.801997 0.583876 P\n0.258856 0.994293 0.363543 P\n0.529467 0.198003 0.416124 P\n0.741144 0.005707 0.636457 P\n0.801997 0.470533 0.083876 P\n0.805639 0.103189 0.677735 O\n0.623146 0.186963 0.518492 O\n0.103189 0.805639 0.177735 O\n0.698354 0.013501 0.120501 O\n0.301646 0.986499 0.879499 O\n0.467972 0.404632 0.332339 O\n0.194361 0.896811 0.322265 O\n0.497776 0.890839 0.292937 O\n0.404632 0.467972 0.832339 O\n0.890839 0.497776 0.792937 O\n0.813037 0.376854 0.981508 O\n0.917808 0.772161 0.868151 O\n0.772161 0.917808 0.368151 O\n0.013501 0.698354 0.620501 O\n0.260987 0.329789 0.455585 O\n0.227839 0.082192 0.631849 O\n0.986499 0.301646 0.379499 O\n0.329789 0.260987 0.955585 O\n0.376854 0.813037 0.481508 O\n0.082192 0.227839 0.131849 O\n0.109161 0.502224 0.207063 O\n0.739013 0.670211 0.544415 O\n0.502224 0.109161 0.707063 O\n0.595368 0.532028 0.167661 O\n0.896811 0.194361 0.822265 O\n0.186963 0.623146 0.018492 O\n0.532028 0.595368 0.667661 O\n0.670211 0.739013 0.044415 O\n",
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{
"id": "mp-767295",
"created_at": "2022-09-04T14:40:34.790185Z",
"structure_string": "Li6 Zn2 P2 C2 O14\n1.0\n6.451463 0.000000 0.000000\n0.000000 4.930918 0.000000\n0.000000 0.347973 8.466930\nLi Zn P C O\n6 2 2 2 14\ndirect\n0.750000 0.255753 0.913376 Li\n0.982681 0.768732 0.736367 Li\n0.517319 0.768732 0.736367 Li\n0.482681 0.231268 0.263633 Li\n0.017319 0.231268 0.263633 Li\n0.250000 0.744247 0.086624 Li\n0.250000 0.225194 0.646496 Zn\n0.750000 0.774806 0.353504 Zn\n0.750000 0.287363 0.589706 P\n0.250000 0.712637 0.410294 P\n0.250000 0.270908 0.957669 C\n0.750000 0.729092 0.042331 C\n0.250000 0.020980 0.917661 O\n0.750000 0.666265 0.894296 O\n0.250000 0.466406 0.849558 O\n0.937764 0.183672 0.689459 O\n0.562236 0.183672 0.689459 O\n0.750000 0.605449 0.577277 O\n0.250000 0.813624 0.581578 O\n0.750000 0.186376 0.418422 O\n0.250000 0.394551 0.422723 O\n0.437764 0.816328 0.310541 O\n0.062236 0.816328 0.310541 O\n0.750000 0.533594 0.150442 O\n0.250000 0.333735 0.105704 O\n0.750000 0.979020 0.082339 O\n",
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"elements": [
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"formula_full": "Li6 Zn2 P2 C2 O14",
"formula_reduced": "Li3ZnPCO7",
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"spacegroup": 11
},
{
"id": "mp-1197768",
"created_at": "2022-09-04T14:40:56.267235Z",
"structure_string": "Ba8 Li4 Al4 C16 N32\n1.0\n6.971147 0.000000 0.000000\n0.000000 11.934932 0.000000\n0.000000 0.000000 12.101340\nBa Li Al C N\n8 4 4 16 32\ndirect\n0.714533 0.621223 0.906816 Ba\n0.785467 0.378777 0.406816 Ba\n0.214533 0.878777 0.093184 Ba\n0.285467 0.121223 0.593184 Ba\n0.705993 0.122074 0.086463 Ba\n0.794007 0.877926 0.586463 Ba\n0.205993 0.377926 0.913537 Ba\n0.294007 0.622074 0.413537 Ba\n0.467329 0.375220 0.169902 Li\n0.032671 0.624780 0.669902 Li\n0.967329 0.124780 0.830098 Li\n0.532671 0.875220 0.330098 Li\n0.972995 0.621617 0.167563 Al\n0.527005 0.378383 0.667563 Al\n0.472995 0.878383 0.832437 Al\n0.027005 0.121617 0.332437 Al\n0.781474 0.671639 0.357408 C\n0.718526 0.328361 0.857408 C\n0.281474 0.828361 0.642592 C\n0.218526 0.171639 0.142592 C\n0.840594 0.418145 0.123409 C\n0.659406 0.581855 0.623409 C\n0.340594 0.081855 0.876591 C\n0.159406 0.918145 0.376591 C\n0.340354 0.576804 0.111449 C\n0.159646 0.423196 0.611449 C\n0.840354 0.923196 0.888551 C\n0.659646 0.076804 0.388551 C\n0.736397 0.818397 0.135822 C\n0.763603 0.181603 0.635822 C\n0.236397 0.681603 0.864178 C\n0.263603 0.318397 0.364178 C\n0.855752 0.745865 0.105214 N\n0.644248 0.254135 0.605214 N\n0.355752 0.754135 0.894786 N\n0.144248 0.245865 0.394786 N\n0.236576 0.642620 0.166108 N\n0.263424 0.357380 0.666108 N\n0.736576 0.857380 0.833892 N\n0.763424 0.142620 0.333892 N\n0.926355 0.498184 0.077192 N\n0.573645 0.501816 0.577192 N\n0.426355 0.001816 0.922808 N\n0.073645 0.998184 0.422808 N\n0.892693 0.601327 0.313162 N\n0.607307 0.398673 0.813162 N\n0.392693 0.898673 0.686838 N\n0.107307 0.101327 0.186838 N\n0.672305 0.737254 0.401471 N\n0.827695 0.262746 0.901471 N\n0.172305 0.762746 0.598529 N\n0.327695 0.237254 0.098529 N\n0.441657 0.512629 0.059547 N\n0.058343 0.487371 0.559547 N\n0.941657 0.987371 0.940453 N\n0.558343 0.012629 0.440453 N\n0.758636 0.341498 0.169220 N\n0.741364 0.658502 0.669220 N\n0.258636 0.158502 0.830780 N\n0.241364 0.841498 0.330780 N\n0.623116 0.891389 0.162064 N\n0.876884 0.108611 0.662064 N\n0.123116 0.608611 0.837936 N\n0.376884 0.391389 0.337936 N\n",
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],
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"density_atomic": 0.0635656249599695,
"volume": 1006.8334896463939,
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"formula_full": "Ba8 Li4 Al4 C16 N32",
"formula_reduced": "Ba2LiAl(CN2)4",
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"updated_at": "2021-11-28T01:35:00.870000Z",
"spacegroup": 19
},
{
"id": "mp-1216821",
"created_at": "2022-09-04T14:44:57.622891Z",
"structure_string": "Tm4 Zr3 O12\n1.0\n4.828589 2.768106 3.004768\n-4.850633 2.828551 2.985435\n0.039985 -5.730055 3.117354\nTm Zr O\n4 3 12\ndirect\n0.389399 0.699097 0.865194 Tm\n0.693336 0.864871 0.389909 Tm\n0.610601 0.300903 0.134806 Tm\n0.306664 0.135129 0.610091 Tm\n0.000000 0.000000 0.000000 Zr\n0.848676 0.395499 0.672393 Zr\n0.151324 0.604501 0.327607 Zr\n0.033253 0.677256 0.889452 O\n0.683330 0.929799 0.061544 O\n0.918514 0.080645 0.689318 O\n0.966747 0.322744 0.110548 O\n0.316670 0.070201 0.938456 O\n0.081486 0.919355 0.310682 O\n0.583339 0.186008 0.430914 O\n0.174924 0.428292 0.574256 O\n0.416246 0.581569 0.177991 O\n0.416661 0.813992 0.569086 O\n0.825076 0.571708 0.425744 O\n0.583754 0.418431 0.822009 O\n",
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},
{
"id": "mp-557914",
"created_at": "2022-09-04T14:46:25.071722Z",
"structure_string": "Dy2 Ta2 O8\n1.0\n5.533368 3.534331 0.000000\n-5.533368 3.534331 0.000000\n0.000000 3.352072 3.859704\nDy Ta O\n2 2 8\ndirect\n0.630438 0.369562 0.750000 Dy\n0.369562 0.630438 0.250000 Dy\n0.103739 0.896261 0.750000 Ta\n0.896261 0.103739 0.250000 Ta\n0.277257 0.213652 0.291708 O\n0.631034 0.051072 0.160788 O\n0.722743 0.786348 0.708292 O\n0.051072 0.631034 0.660788 O\n0.786348 0.722743 0.208292 O\n0.948928 0.368966 0.339212 O\n0.368966 0.948928 0.839212 O\n0.213652 0.277257 0.791708 O\n",
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"formula_full": "Dy2 Ta2 O8",
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{
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"structure_string": "Sr2 Ge2 H4 O8\n1.0\n-3.713105 3.713105 3.401137\n3.713105 -3.713105 3.401137\n3.713105 3.713105 -3.401137\nSr Ge H O\n2 2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.250000 0.750000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.125000 0.047411 0.422411 H\n0.952589 0.375000 0.077589 H\n0.297411 0.875000 0.922411 H\n0.625000 0.702589 0.577589 H\n0.495652 0.737184 0.417759 O\n0.262816 0.680575 0.758468 O\n0.922107 0.504348 0.241532 O\n0.319425 0.077893 0.582241 O\n0.754348 0.672107 0.741532 O\n0.930575 0.012816 0.258468 O\n0.327893 0.069425 0.082241 O\n0.987184 0.245652 0.917759 O\n",
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{
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"structure_string": "Ba6 Al3 Sn6 F33\n1.0\n3.913775 -6.778857 0.000000\n3.913775 6.778857 0.000000\n0.000000 0.000000 15.500177\nBa Al Sn F\n6 3 6 33\ndirect\n0.811719 0.852153 0.654099 Ba\n0.481220 0.122215 0.791964 Ba\n0.040434 0.188281 0.987432 Ba\n0.877785 0.359005 0.458631 Ba\n0.640995 0.518780 0.125298 Ba\n0.147847 0.959566 0.320765 Ba\n0.521043 0.689751 0.871540 Al\n0.168708 0.478957 0.204873 Al\n0.310249 0.831292 0.538206 Al\n0.918710 0.668925 0.893660 Sn\n0.072250 0.408843 0.732941 Sn\n0.591157 0.663408 0.399607 Sn\n0.750215 0.081290 0.226993 Sn\n0.336592 0.927750 0.066274 Sn\n0.331075 0.249785 0.560326 Sn\n0.010710 0.853115 0.055694 F\n0.869514 0.289214 0.851339 F\n0.842405 0.989290 0.389027 F\n0.498647 0.073593 0.489455 F\n0.805783 0.837975 0.220952 F\n0.070040 0.203632 0.187891 F\n0.926407 0.425054 0.156122 F\n0.796368 0.866407 0.854557 F\n0.032192 0.194217 0.554286 F\n0.709713 0.043595 0.088561 F\n0.574946 0.501353 0.822788 F\n0.146885 0.157595 0.722361 F\n0.602135 0.645007 0.974489 F\n0.410334 0.215963 0.014421 F\n0.042872 0.397865 0.307823 F\n0.710786 0.580300 0.518006 F\n0.488644 0.886995 0.914815 F\n0.333883 0.290287 0.421894 F\n0.239334 0.728823 0.429795 F\n0.354993 0.957128 0.641156 F\n0.489489 0.760666 0.763129 F\n0.784037 0.194371 0.681087 F\n0.805629 0.589666 0.347754 F\n0.398350 0.511356 0.248149 F\n0.956405 0.666117 0.755227 F\n0.162025 0.967808 0.887619 F\n0.419700 0.130486 0.184673 F\n0.266530 0.504517 0.886357 F\n0.237987 0.733470 0.219690 F\n0.271177 0.510511 0.096462 F\n0.133593 0.929960 0.521224 F\n0.113005 0.601650 0.581482 F\n0.495483 0.762013 0.553024 F\n",
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"formula_full": "Ba6 Al3 Sn6 F33",
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{
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}