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{
"id": "mp-1198021",
"created_at": "2022-09-04T14:46:21.421109Z",
"structure_string": "Pr12 Fe26 Hg2\n1.0\n8.070798 0.000000 0.000000\n0.000000 8.070798 0.000000\n-4.035399 -4.035399 11.648288\nPr Fe Hg\n12 26 2\ndirect\n0.976737 0.476737 0.628156 Pr\n0.651419 0.151419 0.628156 Pr\n0.151419 0.976737 0.628156 Pr\n0.476737 0.651419 0.628156 Pr\n0.023263 0.523263 0.371844 Pr\n0.348581 0.848581 0.371844 Pr\n0.848581 0.023263 0.371844 Pr\n0.523263 0.348581 0.371844 Pr\n0.605480 0.605480 0.210961 Pr\n0.105480 0.105480 0.210961 Pr\n0.394520 0.394520 0.789039 Pr\n0.894520 0.894520 0.789039 Pr\n0.119733 0.619733 0.882729 Fe\n0.762996 0.262996 0.882729 Fe\n0.262996 0.119733 0.882729 Fe\n0.619733 0.762996 0.882729 Fe\n0.880267 0.380267 0.117271 Fe\n0.237004 0.737004 0.117271 Fe\n0.737004 0.880267 0.117271 Fe\n0.380267 0.237004 0.117271 Fe\n0.710879 0.566557 0.000000 Fe\n0.289121 0.433443 0.000000 Fe\n0.789121 0.066557 0.000000 Fe\n0.210879 0.933443 0.000000 Fe\n0.566557 0.289121 0.000000 Fe\n0.433443 0.710879 0.000000 Fe\n0.066557 0.210879 0.000000 Fe\n0.933443 0.789121 0.000000 Fe\n0.292777 0.792777 0.811985 Fe\n0.519207 0.019207 0.811985 Fe\n0.019207 0.292777 0.811985 Fe\n0.792777 0.519207 0.811985 Fe\n0.707223 0.207223 0.188015 Fe\n0.480793 0.980793 0.188015 Fe\n0.980793 0.707223 0.188015 Fe\n0.207223 0.480793 0.188015 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Hg\n0.750000 0.750000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:46:21.387193Z",
"structure_string": "Cs8 Sb8 F32\n1.0\n6.469612 0.000000 0.000000\n0.000000 9.828053 0.000000\n0.000000 0.000000 16.123934\nCs Sb F\n8 8 32\ndirect\n0.500000 0.909040 0.615517 Cs\n0.500000 0.090960 0.384483 Cs\n0.500000 0.409040 0.884483 Cs\n0.500000 0.590960 0.115517 Cs\n0.000000 0.142492 0.739005 Cs\n0.000000 0.857508 0.260995 Cs\n0.000000 0.642492 0.760995 Cs\n0.000000 0.357508 0.239005 Cs\n0.000000 0.284857 0.499194 Sb\n0.000000 0.715143 0.500806 Sb\n0.000000 0.784857 0.000806 Sb\n0.000000 0.215143 0.999194 Sb\n0.500000 0.526575 0.369545 Sb\n0.500000 0.473425 0.630455 Sb\n0.500000 0.026575 0.130455 Sb\n0.500000 0.973425 0.869545 Sb\n0.219513 0.838758 0.452188 F\n0.219513 0.161242 0.547812 F\n0.780487 0.338758 0.047812 F\n0.780487 0.661242 0.952188 F\n0.780487 0.161242 0.547812 F\n0.780487 0.838758 0.452188 F\n0.219513 0.661242 0.952188 F\n0.219513 0.338758 0.047812 F\n0.000000 0.161646 0.402652 F\n0.000000 0.838354 0.597348 F\n0.000000 0.661646 0.097348 F\n0.000000 0.338354 0.902652 F\n0.256421 0.620691 0.583219 F\n0.256421 0.379309 0.416781 F\n0.743579 0.120691 0.916781 F\n0.743579 0.879309 0.083219 F\n0.500000 0.114836 0.782217 F\n0.500000 0.885164 0.217783 F\n0.500000 0.614836 0.717783 F\n0.500000 0.385164 0.282217 F\n0.276851 0.891403 0.794934 F\n0.276851 0.108597 0.205066 F\n0.723149 0.391403 0.705066 F\n0.723149 0.608597 0.294934 F\n0.723149 0.108597 0.205066 F\n0.723149 0.891403 0.794934 F\n0.276851 0.608597 0.294934 F\n0.276851 0.391403 0.705066 F\n0.256421 0.120691 0.916781 F\n0.256421 0.879309 0.083219 F\n0.743579 0.620691 0.583219 F\n0.743579 0.379309 0.416781 F\n",
"nsites": 48,
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"elements": [
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"Sb",
"F"
],
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"density": 4.2845259755406815,
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"formula_full": "Cs8 Sb8 F32",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:29.572000Z",
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{
"id": "mp-1205001",
"created_at": "2022-09-04T14:46:21.488195Z",
"structure_string": "Os8 Xe4 O24 F40\n1.0\n7.843870 0.000000 0.000000\n0.000000 11.837705 0.000000\n0.000000 0.000000 13.171691\nOs Xe O F\n8 4 24 40\ndirect\n0.008466 0.570415 0.176665 Os\n0.491534 0.929585 0.676665 Os\n0.991534 0.070415 0.823335 Os\n0.508466 0.429585 0.323335 Os\n0.991534 0.429585 0.823335 Os\n0.508466 0.070415 0.323335 Os\n0.008466 0.929585 0.176665 Os\n0.491534 0.570415 0.676665 Os\n0.633075 0.750000 0.052659 Xe\n0.866925 0.750000 0.552659 Xe\n0.366925 0.250000 0.947341 Xe\n0.133075 0.250000 0.447341 Xe\n0.926287 0.437477 0.161067 O\n0.573713 0.062523 0.661067 O\n0.073713 0.937477 0.838933 O\n0.426287 0.562523 0.338933 O\n0.073713 0.562523 0.838933 O\n0.426287 0.937477 0.338933 O\n0.926287 0.062523 0.161067 O\n0.573713 0.437477 0.661067 O\n0.048250 0.574845 0.304447 O\n0.451750 0.925155 0.804447 O\n0.951750 0.074845 0.695553 O\n0.548250 0.425155 0.195553 O\n0.951750 0.425155 0.695553 O\n0.548250 0.074845 0.195553 O\n0.048250 0.925155 0.304447 O\n0.451750 0.574845 0.804447 O\n0.208818 0.557098 0.125347 O\n0.291182 0.942902 0.625347 O\n0.791182 0.057098 0.874653 O\n0.708818 0.442902 0.374653 O\n0.791182 0.442902 0.874653 O\n0.708818 0.057098 0.374653 O\n0.208818 0.942902 0.125347 O\n0.291182 0.557098 0.625347 O\n0.064844 0.750000 0.183290 F\n0.435156 0.750000 0.683290 F\n0.935156 0.250000 0.816710 F\n0.564844 0.250000 0.316710 F\n0.473788 0.750000 0.170039 F\n0.026212 0.750000 0.670039 F\n0.526212 0.250000 0.829961 F\n0.973788 0.250000 0.329961 F\n0.411194 0.750000 0.981282 F\n0.088806 0.750000 0.481282 F\n0.588806 0.250000 0.018718 F\n0.911194 0.250000 0.518718 F\n0.711704 0.750000 0.909225 F\n0.788296 0.750000 0.409225 F\n0.288296 0.250000 0.090775 F\n0.211704 0.250000 0.590775 F\n0.586258 0.586480 0.036836 F\n0.913742 0.913520 0.536836 F\n0.413742 0.086480 0.963164 F\n0.086258 0.413520 0.463164 F\n0.413742 0.413520 0.963164 F\n0.086258 0.086480 0.463164 F\n0.586258 0.913520 0.036836 F\n0.913742 0.586480 0.536836 F\n0.775718 0.635798 0.204759 F\n0.724282 0.864202 0.704759 F\n0.224282 0.135798 0.795241 F\n0.275718 0.364202 0.295241 F\n0.224282 0.364202 0.795241 F\n0.275718 0.135798 0.295241 F\n0.775718 0.864202 0.204759 F\n0.724282 0.635798 0.704759 F\n0.924799 0.627493 0.042643 F\n0.575201 0.872507 0.542643 F\n0.075201 0.127493 0.957357 F\n0.424799 0.372507 0.457357 F\n0.075201 0.372507 0.957357 F\n0.424799 0.127493 0.457357 F\n0.924799 0.872507 0.042643 F\n0.575201 0.627493 0.542643 F\n",
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},
{
"id": "mp-570166",
"created_at": "2022-09-04T14:46:21.479049Z",
"structure_string": "Zr6 Si7 Ni16\n1.0\n0.000000 5.741131 5.741131\n5.741131 0.000000 5.741131\n5.741131 5.741131 0.000000\nZr Si Ni\n6 7 16\ndirect\n0.792676 0.207324 0.792676 Zr\n0.792676 0.792676 0.207324 Zr\n0.207324 0.792676 0.792676 Zr\n0.207324 0.207324 0.792676 Zr\n0.792676 0.207324 0.207324 Zr\n0.207324 0.792676 0.207324 Zr\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.000000 Si\n0.169115 0.169115 0.169115 Ni\n0.618201 0.618201 0.145396 Ni\n0.381799 0.381799 0.381799 Ni\n0.169115 0.492655 0.169115 Ni\n0.169115 0.169115 0.492655 Ni\n0.145396 0.618201 0.618201 Ni\n0.618201 0.145396 0.618201 Ni\n0.830885 0.830885 0.830885 Ni\n0.854604 0.381799 0.381799 Ni\n0.381799 0.381799 0.854604 Ni\n0.381799 0.854604 0.381799 Ni\n0.507345 0.830885 0.830885 Ni\n0.618201 0.618201 0.618201 Ni\n0.830885 0.830885 0.507345 Ni\n0.492655 0.169115 0.169115 Ni\n0.830885 0.507345 0.830885 Ni\n",
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{
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"structure_string": "K4 Gd4 P8 H16 O36\n1.0\n10.697644 0.000000 0.000000\n0.000000 7.904971 0.000000\n0.000000 0.621239 10.187119\nK Gd P H O\n4 4 8 16 36\ndirect\n0.781280 0.246500 0.332730 K\n0.281280 0.753500 0.167270 K\n0.218720 0.753500 0.667270 K\n0.718720 0.246500 0.832730 K\n0.886605 0.748163 0.326201 Gd\n0.386605 0.251837 0.173799 Gd\n0.113395 0.251837 0.673799 Gd\n0.613395 0.748163 0.826201 Gd\n0.652205 0.965985 0.121984 P\n0.152205 0.034015 0.378016 P\n0.347795 0.034015 0.878016 P\n0.847795 0.965985 0.621984 P\n0.608275 0.608583 0.168380 P\n0.108275 0.391417 0.331620 P\n0.391725 0.391417 0.831620 P\n0.891725 0.608583 0.668380 P\n0.907095 0.847821 0.035718 H\n0.407095 0.152179 0.464282 H\n0.092905 0.152179 0.964282 H\n0.592905 0.847821 0.535718 H\n0.017499 0.710130 0.036706 H\n0.517499 0.289870 0.463294 H\n0.982501 0.289870 0.963294 H\n0.482501 0.710130 0.536706 H\n0.575247 0.429807 0.631396 H\n0.075247 0.570193 0.868604 H\n0.424753 0.570193 0.368604 H\n0.924753 0.429807 0.131396 H\n0.689272 0.465319 0.537535 H\n0.189272 0.534681 0.962465 H\n0.310728 0.534681 0.462465 H\n0.810728 0.465319 0.037535 H\n0.959154 0.773675 0.092595 O\n0.459154 0.226325 0.407405 O\n0.040846 0.226325 0.907405 O\n0.540846 0.773675 0.592595 O\n0.624428 0.379849 0.560876 O\n0.124428 0.620151 0.939124 O\n0.375572 0.620151 0.439124 O\n0.875572 0.379849 0.060876 O\n0.770514 0.950877 0.205904 O\n0.270514 0.049123 0.294096 O\n0.229486 0.049123 0.794096 O\n0.729486 0.950877 0.705904 O\n0.578808 0.126273 0.147163 O\n0.078808 0.873727 0.352837 O\n0.421192 0.873727 0.852837 O\n0.921192 0.126273 0.647163 O\n0.678854 0.945219 0.976433 O\n0.178854 0.054781 0.523567 O\n0.321146 0.054781 0.023567 O\n0.821146 0.945219 0.476433 O\n0.560803 0.806545 0.171645 O\n0.060803 0.193455 0.328355 O\n0.439197 0.193455 0.828355 O\n0.939197 0.806545 0.671645 O\n0.717323 0.585475 0.264939 O\n0.217323 0.414525 0.235061 O\n0.282677 0.414525 0.735061 O\n0.782677 0.585475 0.764939 O\n0.492527 0.508444 0.215802 O\n0.992527 0.491556 0.284198 O\n0.507473 0.491556 0.784198 O\n0.007473 0.508444 0.715802 O\n0.646736 0.580441 0.026616 O\n0.146736 0.419559 0.473384 O\n0.353264 0.419559 0.973384 O\n0.853264 0.580441 0.526616 O\n",
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"formula_full": "K4 Gd4 P8 H16 O36",
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},
{
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