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{
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{
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{
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"spacegroup": 57
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{
"id": "mp-1095780",
"created_at": "2022-09-04T14:44:52.497276Z",
"structure_string": "La2 Zn1 Hg1\n1.0\n-6.060998 6.181054 8.445720\n6.060998 -6.181054 8.445720\n6.060998 6.181054 -8.445720\nLa Zn Hg\n2 1 1\ndirect\n0.000000 0.242658 0.242658 La\n0.000000 0.757342 0.757342 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
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{
"id": "mp-775864",
"created_at": "2022-09-04T14:44:10.229273Z",
"structure_string": "Na2 Co22 O34\n1.0\n2.858759 -4.951516 0.000000\n2.858759 4.951516 0.000000\n0.000000 0.000000 23.004977\nNa Co O\n2 22 34\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.164499 0.835501 0.602832 Co\n0.164499 0.835501 0.897168 Co\n0.333333 0.666667 0.172093 Co\n0.333333 0.666667 0.024256 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.327907 Co\n0.333333 0.666667 0.475744 Co\n0.164499 0.328998 0.602832 Co\n0.164499 0.328998 0.897168 Co\n0.328998 0.164499 0.102832 Co\n0.328998 0.164499 0.397168 Co\n0.671002 0.835501 0.602832 Co\n0.671002 0.835501 0.897168 Co\n0.835501 0.671002 0.397168 Co\n0.835501 0.671002 0.102832 Co\n0.666667 0.333333 0.672093 Co\n0.666667 0.333333 0.827907 Co\n0.666667 0.333333 0.524256 Co\n0.666667 0.333333 0.975744 Co\n0.835501 0.164499 0.397168 Co\n0.835501 0.164499 0.102832 Co\n0.148274 0.851726 0.053690 O\n0.985009 0.492505 0.353267 O\n0.014991 0.507495 0.646733 O\n0.985009 0.492505 0.146733 O\n0.148274 0.851726 0.446310 O\n0.014991 0.507495 0.853267 O\n0.148274 0.296547 0.446310 O\n0.333333 0.666667 0.250000 O\n0.000000 0.000000 0.144556 O\n0.000000 0.000000 0.355444 O\n0.000000 0.000000 0.644556 O\n0.000000 0.000000 0.855444 O\n0.333333 0.666667 0.559569 O\n0.333333 0.666667 0.940431 O\n0.148274 0.296547 0.053690 O\n0.296547 0.148274 0.553690 O\n0.296547 0.148274 0.946310 O\n0.507495 0.492505 0.146733 O\n0.507495 0.492505 0.353267 O\n0.492505 0.507495 0.646733 O\n0.492505 0.507495 0.853267 O\n0.703453 0.851726 0.053690 O\n0.703453 0.851726 0.446310 O\n0.507495 0.014991 0.146733 O\n0.507495 0.014991 0.353267 O\n0.492505 0.985009 0.646733 O\n0.666667 0.333333 0.440431 O\n0.492505 0.985009 0.853267 O\n0.666667 0.333333 0.750000 O\n0.666667 0.333333 0.059569 O\n0.851726 0.703453 0.946310 O\n0.851726 0.703453 0.553690 O\n0.851726 0.148274 0.946310 O\n0.851726 0.148274 0.553690 O\n",
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"volume": 651.2796834881277,
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"formula_full": "Na2 Co22 O34",
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{
"id": "mp-752918",
"created_at": "2022-09-04T14:44:10.243452Z",
"structure_string": "Na1 Ti6 O12\n1.0\n5.957686 0.000000 0.000000\n-2.975938 -5.169609 0.000000\n-1.495970 0.181244 -7.005033\nNa Ti O\n1 6 12\ndirect\n0.363518 0.954221 0.557316 Na\n0.001177 0.994827 0.993944 Ti\n0.414484 0.481426 0.698903 Ti\n0.071260 0.483324 0.301724 Ti\n0.497116 0.002547 0.015354 Ti\n0.913449 0.473212 0.699988 Ti\n0.602507 0.546523 0.310607 Ti\n0.043839 0.311463 0.549588 O\n0.206740 0.310521 0.187580 O\n0.296092 0.687614 0.809271 O\n0.448665 0.683186 0.446651 O\n0.697001 0.825672 0.134450 O\n0.191266 0.815102 0.135944 O\n0.305216 0.172173 0.856732 O\n0.799132 0.176874 0.860253 O\n0.558796 0.342936 0.550696 O\n0.695239 0.307060 0.191385 O\n0.797940 0.689359 0.812862 O\n0.955863 0.680962 0.445951 O\n",
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{
"id": "mp-935620",
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"structure_string": "Mn4 P8 O28\n1.0\n-6.273252 0.000000 0.000000\n-2.632579 -9.012630 0.000000\n-1.800143 -4.169800 9.569646\nMn P O\n4 8 28\ndirect\n0.285732 0.883367 0.224971 Mn\n0.714268 0.116633 0.775029 Mn\n0.376174 0.250363 0.252572 Mn\n0.623826 0.749637 0.747428 Mn\n0.895975 0.149080 0.300430 P\n0.699238 0.779739 0.036435 P\n0.921329 0.398497 0.790278 P\n0.300762 0.220261 0.963565 P\n0.410563 0.841439 0.465379 P\n0.589437 0.158561 0.534621 P\n0.078671 0.601503 0.209722 P\n0.104025 0.850920 0.699570 P\n0.059465 0.252363 0.278596 O\n0.391058 0.216896 0.450226 O\n0.294745 0.492019 0.194940 O\n0.000976 0.015081 0.721410 O\n0.440310 0.242734 0.829962 O\n0.601116 0.728426 0.945101 O\n0.927235 0.646802 0.086137 O\n0.999024 0.984919 0.278590 O\n0.307812 0.751429 0.787817 O\n0.047227 0.465237 0.652015 O\n0.801363 0.088184 0.462199 O\n0.559690 0.757266 0.170038 O\n0.692188 0.248571 0.212183 O\n0.128053 0.774877 0.170695 O\n0.566593 0.020908 0.687766 O\n0.198637 0.911816 0.537801 O\n0.744283 0.949579 0.961979 O\n0.646727 0.281205 0.585462 O\n0.255717 0.050421 0.038021 O\n0.608942 0.783104 0.549774 O\n0.705255 0.507981 0.805060 O\n0.951901 0.543818 0.352066 O\n0.871947 0.225123 0.829305 O\n0.398884 0.271574 0.054899 O\n0.353273 0.718795 0.414538 O\n0.072765 0.353198 0.913863 O\n0.940535 0.747637 0.721404 O\n0.433407 0.979092 0.312234 O\n",
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{
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"structure_string": "Yb2 Mg4\n1.0\n0.000000 4.374657 4.374657\n4.374657 0.000000 4.374657\n4.374657 4.374657 0.000000\nYb Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Yb\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.625000 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n",
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{
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"structure_string": "Rb8 H16 O16 F8\n1.0\n12.207908 0.000000 0.000000\n0.000000 12.207908 0.000000\n0.000000 0.000000 4.491383\nRb H O F\n8 16 16 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.734114 Rb\n0.736434 0.236434 0.752186 Rb\n0.236434 0.263566 0.247814 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.265886 Rb\n0.763566 0.736434 0.247814 Rb\n0.263566 0.763566 0.752186 Rb\n0.715037 0.040364 0.271548 H\n0.257893 0.069698 0.693773 H\n0.540364 0.215037 0.271548 H\n0.430302 0.242107 0.693773 H\n0.930302 0.257893 0.306227 H\n0.040364 0.284963 0.728452 H\n0.757893 0.430302 0.306227 H\n0.215037 0.459636 0.728452 H\n0.784963 0.540364 0.728452 H\n0.242107 0.569698 0.306227 H\n0.959636 0.715037 0.728452 H\n0.069698 0.742107 0.306227 H\n0.569698 0.757893 0.693773 H\n0.459636 0.784963 0.271548 H\n0.742107 0.930302 0.693773 H\n0.284963 0.959636 0.271548 H\n0.212154 0.002985 0.638944 O\n0.217502 0.007014 0.310943 O\n0.997015 0.212154 0.361056 O\n0.992986 0.217502 0.689057 O\n0.492986 0.282498 0.310943 O\n0.497015 0.287846 0.638944 O\n0.717502 0.492986 0.689057 O\n0.712154 0.497015 0.361056 O\n0.287846 0.502985 0.361056 O\n0.282498 0.507014 0.689057 O\n0.502985 0.712154 0.638944 O\n0.507014 0.717502 0.310943 O\n0.007014 0.782498 0.689057 O\n0.002985 0.787846 0.361056 O\n0.782498 0.992986 0.310943 O\n0.787846 0.997015 0.638944 O\n0.613560 0.113560 0.227482 F\n0.333390 0.166610 0.758191 F\n0.833390 0.333390 0.241809 F\n0.113560 0.386440 0.772518 F\n0.886440 0.613560 0.772518 F\n0.166610 0.666610 0.241809 F\n0.666610 0.833390 0.758191 F\n0.386440 0.886440 0.227482 F\n",
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{
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{
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"Fe",
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],
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"density": 8.94316804638744,
"density_atomic": 0.03769021702262525,
"volume": 238.78875503946676,
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"formula_full": "Dy6 Fe1 Te2",
"formula_reduced": "Dy6FeTe2",
"formula_anonymous": "AB2C6",
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{
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"elements": [
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"volume_molar": 19.025838819948262,
"formula_full": "Nd4 Mg2",
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"formula_anonymous": "AB2",
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{
"id": "mp-975638",
"created_at": "2022-09-04T14:44:10.329222Z",
"structure_string": "Pr3 Hf1\n1.0\n5.029516 0.000000 0.000000\n0.000000 5.029516 0.000000\n0.000000 0.000000 5.029516\nPr Hf\n3 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Hf\n",
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"elements": [
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"volume": 127.22679362800967,
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"formula_full": "Pr3 Hf1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:28.602000Z",
"spacegroup": 221
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]
}