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{
"id": "mp-1111634",
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{
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"structure_string": "Ca4 Mn24 Si4 O48\n1.0\n-4.815062 4.815062 9.593642\n4.815062 -4.815062 9.593642\n4.815062 4.815062 -9.593642\nCa Mn Si O\n4 24 4 48\ndirect\n0.250000 0.250000 0.000000 Ca\n0.750000 0.750000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.125000 0.903117 0.278117 Mn\n0.875000 0.125000 0.250000 Mn\n0.596883 0.375000 0.721883 Mn\n0.875000 0.625000 0.750000 Mn\n0.096883 0.375000 0.221883 Mn\n0.375000 0.625000 0.250000 Mn\n0.875000 0.125000 0.750000 Mn\n0.987227 0.512773 0.000000 Mn\n0.262773 0.762773 0.025547 Mn\n0.737227 0.237227 0.974453 Mn\n0.125000 0.403117 0.778117 Mn\n0.375000 0.125000 0.750000 Mn\n0.653117 0.875000 0.278117 Mn\n0.512773 0.987227 0.000000 Mn\n0.762773 0.737227 0.500000 Mn\n0.237227 0.262773 0.500000 Mn\n0.375000 0.625000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.487227 0.487227 0.474453 Mn\n0.153117 0.875000 0.778117 Mn\n0.625000 0.846883 0.721883 Mn\n0.625000 0.346883 0.221883 Mn\n0.012773 0.012773 0.525547 Mn\n0.875000 0.625000 0.250000 Mn\n0.750000 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.938912 0.133578 0.973874 O\n0.790493 0.262805 0.189539 O\n0.573266 0.762805 0.472312 O\n0.290493 0.100953 0.527688 O\n0.850953 0.823266 0.310461 O\n0.459507 0.149047 0.972312 O\n0.274939 0.809436 0.231058 O\n0.456119 0.921623 0.231058 O\n0.475061 0.440564 0.268942 O\n0.774939 0.543881 0.465504 O\n0.975061 0.706119 0.034496 O\n0.883578 0.409704 0.694666 O\n0.293881 0.328377 0.268942 O\n0.659704 0.633578 0.194666 O\n0.383578 0.688912 0.473874 O\n0.366422 0.561088 0.026126 O\n0.590296 0.284963 0.473874 O\n0.715037 0.188912 0.305334 O\n0.534963 0.340296 0.973874 O\n0.073266 0.600953 0.810461 O\n0.034963 0.061088 0.194666 O\n0.578377 0.043881 0.768942 O\n0.811088 0.116422 0.526126 O\n0.959507 0.987195 0.310461 O\n0.012805 0.323266 0.972312 O\n0.559436 0.828377 0.034496 O\n0.059436 0.024939 0.731058 O\n0.350953 0.040493 0.027688 O\n0.176734 0.487195 0.027688 O\n0.078377 0.309436 0.534496 O\n0.690564 0.225061 0.768942 O\n0.671623 0.940564 0.965504 O\n0.676734 0.649047 0.689539 O\n0.171623 0.206119 0.731058 O\n0.159704 0.965037 0.026126 O\n0.793881 0.524939 0.965504 O\n0.956119 0.725061 0.534496 O\n0.512805 0.540493 0.689539 O\n0.866422 0.840296 0.805334 O\n0.899047 0.426734 0.189539 O\n0.190564 0.421623 0.465504 O\n0.311088 0.784963 0.694666 O\n0.090296 0.616422 0.305334 O\n0.399047 0.209507 0.472312 O\n0.215037 0.909704 0.526126 O\n0.237195 0.709507 0.810461 O\n0.438912 0.465037 0.805334 O\n0.737195 0.926734 0.527688 O\n",
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"volume": 889.7075308568819,
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"formula_full": "Ca4 Mn24 Si4 O48",
"formula_reduced": "CaMn6SiO12",
"formula_anonymous": "ABC6D12",
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},
{
"id": "mp-1110690",
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"structure_string": "Rb2 Cu1 Bi1 Cl6\n1.0\n0.000000 5.253678 5.253678\n5.253678 0.000000 5.253678\n5.253678 5.253678 0.000000\nRb Cu Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739607 0.260393 0.260393 Cl\n0.260393 0.260393 0.739607 Cl\n0.260393 0.739607 0.739607 Cl\n0.260393 0.739607 0.260393 Cl\n0.739607 0.260393 0.739607 Cl\n0.739607 0.739607 0.260393 Cl\n",
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"volume": 290.0149254715556,
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"formula_full": "Rb2 Cu1 Bi1 Cl6",
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"energy": -37.41118752,
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"updated_at": "2021-11-28T01:34:55.150000Z",
"spacegroup": 225
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{
"id": "mp-1154711",
"created_at": "2022-09-04T14:39:59.877908Z",
"structure_string": "Ca12 Si12 W8 O48\n1.0\n-6.238247 6.238247 6.238247\n6.238247 -6.238247 6.238247\n6.238247 6.238247 -6.238247\nCa Si W O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.125000 0.375000 Ca\n0.375000 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.250000 0.875000 0.625000 Ca\n0.125000 0.250000 0.375000 Ca\n0.625000 0.250000 0.875000 Ca\n0.750000 0.625000 0.875000 Ca\n0.875000 0.750000 0.625000 Ca\n0.875000 0.625000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.375000 0.750000 0.125000 Ca\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.500000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.592105 0.890520 0.379772 O\n0.379772 0.592105 0.890520 O\n0.287667 0.298415 0.907895 O\n0.489252 0.609480 0.201585 O\n0.298415 0.890520 0.010748 O\n0.120228 0.010748 0.212333 O\n0.379772 0.287667 0.489252 O\n0.890520 0.379772 0.592105 O\n0.201585 0.212333 0.592105 O\n0.489252 0.379772 0.287667 O\n0.890520 0.010748 0.298415 O\n0.609480 0.907895 0.120228 O\n0.907895 0.120228 0.609480 O\n0.287667 0.489252 0.379772 O\n0.592105 0.201585 0.212333 O\n0.212333 0.592105 0.201585 O\n0.010748 0.298415 0.890520 O\n0.907895 0.287667 0.298415 O\n0.010748 0.212333 0.120228 O\n0.798415 0.787667 0.407895 O\n0.201585 0.489252 0.609480 O\n0.609480 0.201585 0.489252 O\n0.212333 0.120228 0.010748 O\n0.120228 0.609480 0.907895 O\n0.407895 0.109480 0.620228 O\n0.620228 0.407895 0.109480 O\n0.712333 0.701585 0.092105 O\n0.510748 0.390520 0.798415 O\n0.701585 0.109480 0.989252 O\n0.879772 0.989252 0.787667 O\n0.620228 0.712333 0.510748 O\n0.109480 0.620228 0.407895 O\n0.879772 0.390520 0.092105 O\n0.787667 0.879772 0.989252 O\n0.390520 0.798415 0.510748 O\n0.701585 0.092105 0.712333 O\n0.798415 0.510748 0.390520 O\n0.989252 0.787667 0.879772 O\n0.092105 0.712333 0.701585 O\n0.989252 0.701585 0.109480 O\n0.787667 0.407895 0.798415 O\n0.407895 0.798415 0.787667 O\n0.712333 0.510748 0.620228 O\n0.092105 0.879772 0.390520 O\n0.390520 0.092105 0.879772 O\n0.109480 0.989252 0.701585 O\n0.510748 0.620228 0.712333 O\n0.298415 0.907895 0.287667 O\n",
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"formula_full": "Ca12 Si12 W8 O48",
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{
"id": "mp-1179765",
"created_at": "2022-09-04T14:40:02.836454Z",
"structure_string": "Rb4 Zn8 P12 O56\n1.0\n8.562886 0.000000 0.000000\n0.000000 10.287657 0.000000\n0.000000 0.000000 16.198947\nRb Zn P O\n4 8 12 56\ndirect\n0.701759 0.580427 0.496967 Rb\n0.798241 0.419573 0.996967 Rb\n0.201759 0.919573 0.503033 Rb\n0.298241 0.080427 0.003033 Rb\n0.586142 0.840272 0.834898 Zn\n0.913858 0.159728 0.334898 Zn\n0.086142 0.659728 0.165102 Zn\n0.413858 0.340272 0.665102 Zn\n0.124235 0.610433 0.803795 Zn\n0.375765 0.389567 0.303795 Zn\n0.624235 0.889567 0.196205 Zn\n0.875765 0.110433 0.696205 Zn\n0.336649 0.634728 0.635393 P\n0.163351 0.365272 0.135393 P\n0.836649 0.865272 0.364607 P\n0.663351 0.134728 0.864607 P\n0.141200 0.295269 0.790368 P\n0.358800 0.704731 0.290368 P\n0.641200 0.204731 0.209632 P\n0.858800 0.795269 0.709632 P\n0.346982 0.669733 0.955337 P\n0.153018 0.330267 0.455337 P\n0.846982 0.830267 0.044663 P\n0.653018 0.169733 0.544663 P\n0.686275 0.815708 0.733623 O\n0.813725 0.184292 0.233623 O\n0.186275 0.684292 0.266377 O\n0.313725 0.315708 0.766377 O\n0.290602 0.652650 0.725927 O\n0.209398 0.347350 0.225927 O\n0.790602 0.847350 0.274073 O\n0.709398 0.152650 0.774073 O\n0.450436 0.724357 0.886290 O\n0.049564 0.275643 0.386290 O\n0.950436 0.775643 0.113710 O\n0.549564 0.224357 0.613710 O\n0.563568 0.011467 0.878475 O\n0.936432 0.988533 0.378475 O\n0.063568 0.488533 0.121525 O\n0.436432 0.511467 0.621525 O\n0.297220 0.961653 0.746550 O\n0.202780 0.038347 0.246550 O\n0.797220 0.538347 0.253450 O\n0.702780 0.461653 0.753450 O\n0.214338 0.948401 0.808167 O\n0.285662 0.051599 0.308167 O\n0.714338 0.551599 0.191833 O\n0.785662 0.448401 0.691833 O\n0.053765 0.426798 0.798271 O\n0.446235 0.573202 0.298271 O\n0.553765 0.073202 0.201729 O\n0.946235 0.926798 0.701729 O\n0.938267 0.706803 0.773885 O\n0.561733 0.293197 0.273885 O\n0.438267 0.793197 0.226115 O\n0.061733 0.206803 0.726115 O\n0.191499 0.622897 0.918013 O\n0.308501 0.377103 0.418013 O\n0.691499 0.877103 0.081987 O\n0.808501 0.122897 0.581987 O\n0.187804 0.636182 0.579130 O\n0.312196 0.363818 0.079130 O\n0.687804 0.863818 0.420870 O\n0.812196 0.136182 0.920870 O\n0.420700 0.753796 0.598117 O\n0.079300 0.246204 0.098117 O\n0.920700 0.746204 0.401883 O\n0.579300 0.253796 0.901883 O\n0.131347 0.231938 0.876792 O\n0.368653 0.768062 0.376792 O\n0.631347 0.268062 0.123208 O\n0.868653 0.731938 0.623208 O\n0.313515 0.765176 0.026774 O\n0.186485 0.234824 0.526774 O\n0.813515 0.734824 0.973226 O\n0.686485 0.265176 0.473226 O\n0.439823 0.560100 0.999889 O\n0.060177 0.439900 0.499889 O\n0.939823 0.939900 0.000111 O\n0.560177 0.060100 0.500111 O\n",
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{
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"structure_string": "Mn4 Zn4 Ge8 O24\n1.0\n5.405974 0.062601 1.281954\n1.541682 6.817422 0.575998\n-5.205013 -0.479845 12.744034\nMn Zn Ge O\n4 4 8 24\ndirect\n0.301637 0.897607 0.551539 Mn\n0.198328 0.102432 0.948598 Mn\n0.800852 0.897723 0.051203 Mn\n0.699202 0.101833 0.448890 Mn\n0.133029 0.234436 0.382741 Zn\n0.632331 0.234696 0.882651 Zn\n0.366820 0.765610 0.117253 Zn\n0.867641 0.765200 0.617314 Zn\n0.839252 0.390312 0.109299 Ge\n0.339690 0.390219 0.609324 Ge\n0.075014 0.781220 0.304959 Ge\n0.575050 0.781209 0.805027 Ge\n0.660687 0.609695 0.390707 Ge\n0.160507 0.609764 0.890624 Ge\n0.424871 0.218884 0.195011 Ge\n0.925076 0.218857 0.695029 Ge\n0.698480 0.314514 0.204661 O\n0.198678 0.314585 0.704724 O\n0.349124 0.590385 0.342650 O\n0.848836 0.590296 0.842835 O\n0.801558 0.685449 0.295350 O\n0.301551 0.685376 0.795251 O\n0.150909 0.409733 0.157184 O\n0.651296 0.409795 0.657171 O\n0.418107 0.140648 0.313697 O\n0.917551 0.140681 0.813641 O\n0.825614 0.372293 0.429745 O\n0.324993 0.372346 0.929666 O\n0.081751 0.859399 0.186240 O\n0.582604 0.859330 0.686400 O\n0.674216 0.627674 0.070254 O\n0.175042 0.627677 0.570335 O\n0.865974 0.203200 0.017683 O\n0.366668 0.202954 0.517869 O\n0.050331 0.964253 0.398578 O\n0.549805 0.964428 0.898506 O\n0.633852 0.796789 0.482323 O\n0.133351 0.797041 0.982108 O\n0.449635 0.035805 0.101438 O\n0.950087 0.035652 0.601522 O\n",
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{
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