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{
"id": "mp-777258",
"created_at": "2022-09-04T14:39:33.825116Z",
"structure_string": "Ba12 Y4 F36\n1.0\n6.088652 0.000000 0.000000\n0.000000 10.317855 0.000000\n0.000000 0.000000 15.813372\nBa Y F\n12 4 36\ndirect\n0.750000 0.053945 0.908887 Ba\n0.750000 0.166391 0.472763 Ba\n0.250000 0.241555 0.671543 Ba\n0.750000 0.258445 0.171543 Ba\n0.250000 0.333609 0.972763 Ba\n0.250000 0.446055 0.408887 Ba\n0.750000 0.553945 0.591113 Ba\n0.750000 0.666391 0.027237 Ba\n0.250000 0.741555 0.828457 Ba\n0.750000 0.758445 0.328457 Ba\n0.250000 0.833609 0.527237 Ba\n0.250000 0.946055 0.091113 Ba\n0.250000 0.038231 0.317001 Y\n0.750000 0.461769 0.817001 Y\n0.250000 0.538231 0.182999 Y\n0.750000 0.961769 0.682999 Y\n0.496060 0.045232 0.596320 F\n0.003940 0.045232 0.596320 F\n0.008132 0.071283 0.219715 F\n0.491868 0.071283 0.219715 F\n0.750000 0.157855 0.737165 F\n0.250000 0.210704 0.836634 F\n0.497402 0.145372 0.037088 F\n0.002598 0.145372 0.037088 F\n0.250000 0.188975 0.412346 F\n0.750000 0.311025 0.912346 F\n0.997402 0.354628 0.537088 F\n0.502598 0.354628 0.537088 F\n0.750000 0.289296 0.336634 F\n0.250000 0.342145 0.237165 F\n0.991868 0.428717 0.719715 F\n0.508132 0.428717 0.719715 F\n0.996060 0.454768 0.096320 F\n0.503940 0.454768 0.096320 F\n0.496060 0.545232 0.903680 F\n0.003940 0.545232 0.903680 F\n0.008132 0.571283 0.280285 F\n0.491868 0.571283 0.280285 F\n0.750000 0.657855 0.762835 F\n0.250000 0.710704 0.663366 F\n0.497402 0.645372 0.462912 F\n0.002598 0.645372 0.462912 F\n0.250000 0.688975 0.087654 F\n0.750000 0.811025 0.587654 F\n0.997402 0.854628 0.962912 F\n0.502598 0.854628 0.962912 F\n0.750000 0.789296 0.163366 F\n0.250000 0.842145 0.262835 F\n0.508132 0.928717 0.780285 F\n0.991868 0.928717 0.780285 F\n0.996060 0.954768 0.403680 F\n0.503940 0.954768 0.403680 F\n",
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},
{
"id": "mp-1196358",
"created_at": "2022-09-04T14:39:27.564721Z",
"structure_string": "P4 H120 Pt8 C40 I8 N4 Cl8\n1.0\n0.000000 -9.379853 0.000000\n-10.703903 0.000000 0.175461\n0.153260 0.000000 -25.575644\nP H Pt C I N Cl\n4 120 8 40 8 4 8\ndirect\n0.506891 0.657400 0.131295 P\n0.006891 0.342600 0.368705 P\n0.493109 0.342600 0.868705 P\n0.993109 0.657400 0.631295 P\n0.370677 0.576343 0.190938 H\n0.870677 0.423657 0.309062 H\n0.629323 0.423657 0.809062 H\n0.129323 0.576343 0.690938 H\n0.274315 0.998943 0.197363 H\n0.774315 0.001057 0.302637 H\n0.725685 0.001057 0.802637 H\n0.225685 0.998943 0.697363 H\n0.368368 0.918620 0.146101 H\n0.868368 0.081380 0.353899 H\n0.631632 0.081380 0.853899 H\n0.131632 0.918620 0.646101 H\n0.192075 0.975202 0.134735 H\n0.692075 0.024798 0.365265 H\n0.807925 0.024798 0.865265 H\n0.307925 0.975202 0.634735 H\n0.326004 0.881221 0.263072 H\n0.826004 0.118779 0.236928 H\n0.673996 0.118779 0.736928 H\n0.173996 0.881221 0.763072 H\n0.184435 0.791398 0.290171 H\n0.684434 0.208602 0.209829 H\n0.815566 0.208602 0.709829 H\n0.315565 0.791398 0.790171 H\n0.342013 0.713948 0.266909 H\n0.842013 0.286052 0.233091 H\n0.657987 0.286052 0.733091 H\n0.157987 0.713948 0.766909 H\n0.956692 0.823655 0.245499 H\n0.456692 0.176345 0.254501 H\n0.043308 0.176345 0.754501 H\n0.543308 0.823655 0.745499 H\n0.053804 0.963535 0.232382 H\n0.553804 0.036465 0.267618 H\n0.946196 0.036465 0.767618 H\n0.446196 0.963535 0.732382 H\n0.941842 0.894967 0.182790 H\n0.441842 0.105033 0.317210 H\n0.058158 0.105033 0.817210 H\n0.558158 0.894967 0.682790 H\n0.232694 0.348186 0.032895 H\n0.732694 0.651814 0.467105 H\n0.767306 0.651814 0.967105 H\n0.267306 0.348186 0.532895 H\n0.235939 0.511512 0.020021 H\n0.735939 0.488488 0.479979 H\n0.764061 0.488488 0.979979 H\n0.264061 0.511512 0.520021 H\n0.385763 0.438185 0.050880 H\n0.885763 0.561815 0.449120 H\n0.614237 0.561815 0.949120 H\n0.114237 0.438185 0.550880 H\n0.056539 0.274300 0.082884 H\n0.556539 0.725700 0.417116 H\n0.943461 0.725700 0.917116 H\n0.443461 0.274300 0.582884 H\n0.941288 0.355735 0.127869 H\n0.441288 0.644265 0.372131 H\n0.058712 0.644265 0.872131 H\n0.558712 0.355735 0.627869 H\n0.962817 0.410303 0.062238 H\n0.462817 0.589697 0.437762 H\n0.037183 0.589697 0.937762 H\n0.537183 0.410303 0.562238 H\n0.281692 0.247921 0.119361 H\n0.781692 0.752079 0.380638 H\n0.718308 0.752079 0.880638 H\n0.218308 0.247921 0.619362 H\n0.382686 0.349034 0.162501 H\n0.882686 0.650966 0.337499 H\n0.617314 0.650966 0.837499 H\n0.117314 0.349034 0.662501 H\n0.212464 0.290989 0.182418 H\n0.712464 0.709011 0.317582 H\n0.787536 0.709011 0.817582 H\n0.287536 0.290989 0.682418 H\n0.622800 0.710482 0.211830 H\n0.122800 0.289518 0.288170 H\n0.377200 0.289518 0.788170 H\n0.877200 0.710482 0.711830 H\n0.720405 0.764834 0.156923 H\n0.220405 0.235166 0.343077 H\n0.279595 0.235166 0.843077 H\n0.779595 0.764834 0.656923 H\n0.564544 0.848431 0.179115 H\n0.064544 0.151569 0.320885 H\n0.435456 0.151569 0.820885 H\n0.935456 0.848431 0.679115 H\n0.396495 0.692119 0.048623 H\n0.896495 0.307881 0.451377 H\n0.603505 0.307881 0.951377 H\n0.103505 0.692119 0.548623 H\n0.459149 0.834930 0.077621 H\n0.959149 0.165070 0.422379 H\n0.540851 0.165070 0.922379 H\n0.040851 0.834930 0.577621 H\n0.582907 0.730217 0.047276 H\n0.082907 0.269784 0.452724 H\n0.417093 0.269784 0.952724 H\n0.917093 0.730217 0.547276 H\n0.633060 0.474396 0.156447 H\n0.133060 0.525604 0.343553 H\n0.366940 0.525604 0.843553 H\n0.866940 0.474396 0.656447 H\n0.576757 0.461196 0.089407 H\n0.076757 0.538804 0.410593 H\n0.423243 0.538804 0.910593 H\n0.923243 0.461196 0.589407 H\n0.726367 0.557814 0.107348 H\n0.226367 0.442186 0.392652 H\n0.273633 0.442186 0.892652 H\n0.773633 0.557814 0.607348 H\n0.851524 0.146951 0.028083 H\n0.351524 0.853049 0.471917 H\n0.148476 0.853049 0.971917 H\n0.648476 0.146951 0.528083 H\n0.875760 0.017902 0.071951 H\n0.375760 0.982098 0.428049 H\n0.124240 0.982098 0.928049 H\n0.624240 0.017902 0.571951 H\n0.178524 0.766218 0.187090 Pt\n0.678524 0.233782 0.312910 Pt\n0.821476 0.233782 0.812910 Pt\n0.321476 0.766218 0.687090 Pt\n0.180096 0.481465 0.120014 Pt\n0.680096 0.518535 0.379986 Pt\n0.819904 0.518535 0.879986 Pt\n0.319904 0.481465 0.620014 Pt\n0.263261 0.934046 0.163704 C\n0.763261 0.065954 0.336296 C\n0.736739 0.065954 0.836296 C\n0.236739 0.934046 0.663704 C\n0.268533 0.791972 0.260296 C\n0.768533 0.208028 0.239704 C\n0.731467 0.208028 0.739704 C\n0.231467 0.791972 0.760296 C\n0.013853 0.875101 0.215354 C\n0.513853 0.124899 0.284646 C\n0.986147 0.124899 0.784646 C\n0.486147 0.875101 0.715354 C\n0.269212 0.440003 0.047615 C\n0.769212 0.559997 0.452385 C\n0.730788 0.559997 0.952385 C\n0.230788 0.440003 0.547615 C\n0.016213 0.366683 0.095382 C\n0.516213 0.633317 0.404618 C\n0.983787 0.633317 0.904618 C\n0.483787 0.366683 0.595382 C\n0.275265 0.323348 0.149135 C\n0.775265 0.676652 0.350865 C\n0.724735 0.676652 0.850865 C\n0.224735 0.323348 0.649135 C\n0.613292 0.756043 0.173965 C\n0.113292 0.243957 0.326035 C\n0.386708 0.243957 0.826035 C\n0.886708 0.756043 0.673965 C\n0.484499 0.736074 0.070384 C\n0.984499 0.263926 0.429616 C\n0.515501 0.263926 0.929616 C\n0.015501 0.736074 0.570384 C\n0.621015 0.524058 0.119579 C\n0.121015 0.475942 0.380421 C\n0.378985 0.475942 0.880421 C\n0.878985 0.524058 0.619579 C\n0.803506 0.063785 0.044874 C\n0.303506 0.936215 0.455126 C\n0.196494 0.936215 0.955126 C\n0.696494 0.063785 0.544874 C\n0.055892 0.709967 0.086848 I\n0.555892 0.290033 0.413152 I\n0.944108 0.290033 0.913152 I\n0.444108 0.709967 0.586848 I\n0.054152 0.538788 0.218773 I\n0.554152 0.461212 0.281227 I\n0.945848 0.461212 0.781227 I\n0.445848 0.538788 0.718773 I\n0.350546 0.621256 0.156373 N\n0.850546 0.378744 0.343627 N\n0.649454 0.378744 0.843627 N\n0.149454 0.621256 0.656373 N\n0.648365 0.110428 0.080235 Cl\n0.148365 0.889572 0.419765 Cl\n0.351635 0.889572 0.919765 Cl\n0.851635 0.110428 0.580235 Cl\n0.764772 0.956782 0.992762 Cl\n0.264772 0.043218 0.507238 Cl\n0.235228 0.043218 0.007238 Cl\n0.735228 0.956782 0.492762 Cl\n",
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"formula_full": "P4 H120 Pt8 C40 I8 N4 Cl8",
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{
"id": "mp-1219817",
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"structure_string": "Pr2 Zr6 F30\n1.0\n6.409051 5.380473 0.000000\n-6.409051 5.380473 0.000000\n0.000000 2.336318 7.992876\nPr Zr F\n2 6 30\ndirect\n0.176234 0.823766 0.250000 Pr\n0.823766 0.176234 0.750000 Pr\n0.752027 0.247973 0.250000 Zr\n0.247973 0.752027 0.750000 Zr\n0.742003 0.675960 0.676083 Zr\n0.324040 0.257997 0.823917 Zr\n0.257997 0.324040 0.323917 Zr\n0.675960 0.742003 0.176083 Zr\n0.314331 0.348370 0.055073 F\n0.927645 0.809772 0.149985 F\n0.841929 0.468333 0.685137 F\n0.468333 0.841929 0.185137 F\n0.809772 0.927645 0.649985 F\n0.348370 0.314331 0.555073 F\n0.685669 0.651630 0.944927 F\n0.072355 0.190228 0.850015 F\n0.158071 0.531667 0.314863 F\n0.531667 0.158071 0.814863 F\n0.190228 0.072355 0.350015 F\n0.651630 0.685669 0.444927 F\n0.466537 0.533463 0.250000 F\n0.744980 0.946762 0.977715 F\n0.053238 0.255020 0.522285 F\n0.255020 0.053238 0.022285 F\n0.946762 0.744980 0.477715 F\n0.533463 0.466537 0.750000 F\n0.773678 0.283684 0.999581 F\n0.002306 0.274838 0.222155 F\n0.770426 0.503958 0.223952 F\n0.503958 0.770426 0.723952 F\n0.274838 0.002306 0.722155 F\n0.283684 0.773678 0.499581 F\n0.226322 0.716316 0.000419 F\n0.997694 0.725162 0.777845 F\n0.229574 0.496042 0.776048 F\n0.496042 0.229574 0.276048 F\n0.725162 0.997694 0.277845 F\n0.716316 0.226322 0.500419 F\n",
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{
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"structure_string": "Cs1 Mg30 Bi1 O32\n1.0\n8.745360 0.000000 0.000000\n0.000000 8.745360 0.000000\n0.000000 0.000000 8.729544\nCs Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246200 0.246200 0.000000 Mg\n0.753800 0.246200 0.000000 Mg\n0.246200 0.753800 0.000000 Mg\n0.753800 0.753800 0.000000 Mg\n0.248816 0.248816 0.500000 Mg\n0.751184 0.248816 0.500000 Mg\n0.248816 0.751184 0.500000 Mg\n0.751184 0.751184 0.500000 Mg\n0.253639 0.000000 0.255486 Mg\n0.746361 0.000000 0.255486 Mg\n0.241731 0.500000 0.257391 Mg\n0.758269 0.500000 0.257391 Mg\n0.253639 0.000000 0.744514 Mg\n0.746361 0.000000 0.744514 Mg\n0.241731 0.500000 0.742609 Mg\n0.758269 0.500000 0.742609 Mg\n0.000000 0.253639 0.255486 Mg\n0.500000 0.241731 0.257391 Mg\n0.000000 0.746361 0.255486 Mg\n0.500000 0.758269 0.257391 Mg\n0.000000 0.253639 0.744514 Mg\n0.500000 0.241731 0.742609 Mg\n0.000000 0.746361 0.744514 Mg\n0.500000 0.758269 0.742609 Mg\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.285068 O\n0.500000 0.000000 0.259725 O\n0.000000 0.500000 0.259725 O\n0.500000 0.500000 0.266578 O\n0.000000 0.000000 0.714932 O\n0.500000 0.000000 0.740275 O\n0.000000 0.500000 0.740275 O\n0.500000 0.500000 0.733422 O\n0.250582 0.250582 0.248828 O\n0.749418 0.250582 0.248828 O\n0.250582 0.749418 0.248828 O\n0.749418 0.749418 0.248828 O\n0.250582 0.250582 0.751172 O\n0.749418 0.250582 0.751172 O\n0.250582 0.749418 0.751172 O\n0.749418 0.749418 0.751172 O\n0.283932 0.000000 0.000000 O\n0.716068 0.000000 0.000000 O\n0.238328 0.500000 0.000000 O\n0.761672 0.500000 0.000000 O\n0.257384 0.000000 0.500000 O\n0.742616 0.000000 0.500000 O\n0.249910 0.500000 0.500000 O\n0.750090 0.500000 0.500000 O\n0.000000 0.283932 0.000000 O\n0.500000 0.238328 0.000000 O\n0.000000 0.716068 0.000000 O\n0.500000 0.761672 0.000000 O\n0.000000 0.257384 0.500000 O\n0.500000 0.249910 0.500000 O\n0.000000 0.742616 0.500000 O\n0.500000 0.750090 0.500000 O\n",
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"formula_full": "Cs1 Mg30 Bi1 O32",
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"spacegroup": 123
},
{
"id": "mp-504769",
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