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{
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"results": [
{
"id": "mp-1211725",
"created_at": "2022-09-04T14:47:28.556497Z",
"structure_string": "K2 Rb1 Nd1 V2 O8\n1.0\n3.076137 -5.328026 0.000000\n3.076137 5.328026 0.000000\n0.000000 0.000000 7.969118\nK Rb Nd V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.703607 K\n0.666667 0.333333 0.296393 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Nd\n0.333333 0.666667 0.248694 V\n0.666667 0.333333 0.751306 V\n0.333333 0.666667 0.037671 O\n0.666667 0.333333 0.962329 O\n0.177625 0.822375 0.325186 O\n0.822375 0.177625 0.674814 O\n0.177625 0.355250 0.325186 O\n0.822375 0.644750 0.674814 O\n0.644750 0.822375 0.325186 O\n0.355250 0.177625 0.674814 O\n",
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{
"id": "mp-1200912",
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"structure_string": "Zr24 Si8\n1.0\n11.043208 0.000000 0.000000\n0.000000 11.043208 0.000000\n0.000000 0.000000 5.451209\nZr Si\n24 8\ndirect\n0.917425 0.608045 0.535128 Zr\n0.082575 0.391955 0.535128 Zr\n0.891955 0.417425 0.035128 Zr\n0.108045 0.582575 0.035128 Zr\n0.582575 0.891955 0.964872 Zr\n0.417425 0.108045 0.964872 Zr\n0.608045 0.082575 0.464872 Zr\n0.391955 0.917425 0.464872 Zr\n0.861837 0.972385 0.721527 Zr\n0.138163 0.027615 0.721527 Zr\n0.527615 0.361837 0.221527 Zr\n0.472385 0.638163 0.221527 Zr\n0.638163 0.527615 0.778473 Zr\n0.361837 0.472385 0.778473 Zr\n0.972385 0.138163 0.278473 Zr\n0.027615 0.861837 0.278473 Zr\n0.821113 0.715596 0.010036 Zr\n0.178887 0.284404 0.010036 Zr\n0.784404 0.321113 0.510036 Zr\n0.215596 0.678887 0.510036 Zr\n0.678887 0.784404 0.489964 Zr\n0.321113 0.215596 0.489964 Zr\n0.715596 0.178887 0.989964 Zr\n0.284404 0.821113 0.989964 Zr\n0.794838 0.957695 0.212060 Si\n0.205162 0.042305 0.212060 Si\n0.542305 0.294838 0.712060 Si\n0.457695 0.705162 0.712060 Si\n0.705162 0.542305 0.287940 Si\n0.294838 0.457695 0.287940 Si\n0.957695 0.205162 0.787940 Si\n0.042305 0.794838 0.787940 Si\n",
"nsites": 32,
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"elements": [
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"chemical_system": "Si-Zr",
"density": 6.029951510287509,
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"volume": 664.7882544788928,
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"formula_full": "Zr24 Si8",
"formula_reduced": "Zr3Si",
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"energy": -266.12248942,
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"spacegroup": 86
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{
"id": "mp-758482",
"created_at": "2022-09-04T14:47:28.614571Z",
"structure_string": "V2 Bi24 O41\n1.0\n10.352137 0.000000 0.000000\n0.000000 10.355248 0.000000\n0.000000 0.000000 10.444119\nV Bi O\n2 24 41\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.977068 0.320501 0.179709 Bi\n0.977068 0.679499 0.820291 Bi\n0.819929 0.019830 0.330232 Bi\n0.819929 0.980170 0.669768 Bi\n0.835404 0.332779 0.518383 Bi\n0.835404 0.667221 0.481617 Bi\n0.679267 0.177609 0.024569 Bi\n0.679267 0.822391 0.975431 Bi\n0.676419 0.524689 0.177410 Bi\n0.676419 0.475311 0.822590 Bi\n0.526040 0.180562 0.678499 Bi\n0.526040 0.819438 0.321501 Bi\n0.473960 0.819438 0.678499 Bi\n0.473960 0.180562 0.321501 Bi\n0.323581 0.524689 0.822590 Bi\n0.323581 0.475311 0.177410 Bi\n0.320733 0.822391 0.024569 Bi\n0.320733 0.177609 0.975431 Bi\n0.164596 0.667221 0.518383 Bi\n0.164596 0.332779 0.481617 Bi\n0.180071 0.980170 0.330232 Bi\n0.180071 0.019830 0.669768 Bi\n0.022932 0.679499 0.179709 Bi\n0.022932 0.320501 0.820291 Bi\n0.996114 0.753561 0.368705 O\n0.996114 0.246439 0.631295 O\n0.902142 0.900869 0.095371 O\n0.902142 0.099131 0.904629 O\n0.867196 0.492568 0.241614 O\n0.867196 0.507432 0.758386 O\n0.800301 0.198944 0.199288 O\n0.800301 0.801056 0.800712 O\n0.756579 0.130869 0.496076 O\n0.756579 0.869131 0.503924 O\n0.747118 0.632172 0.007624 O\n0.747118 0.367828 0.992376 O\n0.701244 0.697473 0.298589 O\n0.701244 0.302527 0.701411 O\n0.631461 0.992411 0.253492 O\n0.631461 0.007589 0.746508 O\n0.596610 0.403319 0.400892 O\n0.596610 0.596681 0.599108 O\n0.507063 0.246793 0.131275 O\n0.507063 0.753207 0.868725 O\n0.492937 0.753207 0.131275 O\n0.492937 0.246793 0.868725 O\n0.403390 0.596681 0.400892 O\n0.403390 0.403319 0.599108 O\n0.368539 0.992411 0.746508 O\n0.368539 0.007589 0.253492 O\n0.298756 0.697473 0.701411 O\n0.298756 0.302527 0.298589 O\n0.252882 0.632172 0.992376 O\n0.252882 0.367828 0.007624 O\n0.243421 0.869131 0.496076 O\n0.243421 0.130869 0.503924 O\n0.199699 0.801056 0.199288 O\n0.199699 0.198944 0.800712 O\n0.132804 0.492568 0.758386 O\n0.132804 0.507432 0.241614 O\n0.097858 0.900869 0.904629 O\n0.097858 0.099131 0.095371 O\n0.003886 0.753561 0.631295 O\n0.003886 0.246439 0.368705 O\n0.000000 0.500000 0.500000 O\n",
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"density": 8.562833825495554,
"density_atomic": 0.059842878592305505,
"volume": 1119.5985483327793,
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"formula_full": "V2 Bi24 O41",
"formula_reduced": "V2Bi24O41",
"formula_anonymous": "A2B24C41",
"energy": -430.03417624,
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"updated_at": "2021-11-28T01:38:09.034000Z",
"spacegroup": 16
},
{
"id": "mp-1078231",
"created_at": "2022-09-04T14:47:28.621769Z",
"structure_string": "Sr2 Ga4 Rh4\n1.0\n0.000000 5.307939 6.794109\n2.913565 0.000000 6.794109\n2.913565 5.307939 0.000000\nSr Ga Rh\n2 4 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sr\n0.818776 0.181224 0.818776 Ga\n0.181224 0.818776 0.181224 Ga\n0.431224 0.068776 0.431224 Ga\n0.068776 0.431224 0.068776 Ga\n0.116097 0.116097 0.883903 Rh\n0.883903 0.883903 0.116097 Rh\n0.133903 0.133903 0.366097 Rh\n0.366097 0.366097 0.133903 Rh\n",
"nsites": 10,
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"volume": 210.1421350504794,
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"formula_full": "Sr2 Ga4 Rh4",
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"energy": -51.95713096,
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"spacegroup": 70
},
{
"id": "mp-1178876",
"created_at": "2022-09-04T14:47:28.622409Z",
"structure_string": "U2 Si2 O14\n1.0\n7.171696 0.000000 0.000000\n0.000000 8.108263 3.537399\n0.000000 -8.108263 3.537399\nU Si O\n2 2 14\ndirect\n0.000000 0.803954 0.210023 U\n0.000000 0.210023 0.803954 U\n0.000000 0.403049 0.609594 Si\n0.000000 0.609594 0.403049 Si\n0.248826 0.204507 0.810434 O\n0.751174 0.810434 0.204507 O\n0.751174 0.204507 0.810434 O\n0.248826 0.810434 0.204507 O\n0.000000 0.516432 0.852076 O\n0.000000 0.852076 0.516432 O\n0.000000 0.161345 0.498781 O\n0.000000 0.498781 0.161345 O\n0.192645 0.459180 0.549552 O\n0.807355 0.549552 0.459180 O\n0.807355 0.459180 0.549552 O\n0.192645 0.549552 0.459180 O\n0.000000 0.048499 0.972898 O\n0.000000 0.972898 0.048499 O\n",
"nsites": 18,
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"elements": [
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"volume": 411.3994847681802,
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"formula_full": "U2 Si2 O14",
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{
"id": "mp-1245720",
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"structure_string": "Zn1 Pb2 N2\n1.0\n3.535065 -0.080206 -0.995022\n-1.836993 3.181765 0.000000\n-2.720201 -1.570509 10.791203\nZn Pb N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Zn\n0.706729 0.353365 0.186933 Pb\n0.293271 0.646635 0.813067 Pb\n0.397180 0.198590 0.698319 N\n0.602820 0.801410 0.301681 N\n",
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{
"id": "mp-1195831",
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"structure_string": "Li4 Ho16 Ge16\n1.0\n7.133471 0.000000 0.000000\n0.000000 7.727635 0.000000\n0.000000 0.000000 14.686288\nLi Ho Ge\n4 16 16\ndirect\n0.658641 0.973341 0.750000 Li\n0.158641 0.526659 0.750000 Li\n0.341359 0.026659 0.250000 Li\n0.841359 0.473341 0.250000 Li\n0.515085 0.313456 0.097511 Ho\n0.015085 0.186544 0.402489 Ho\n0.484915 0.686544 0.597511 Ho\n0.984915 0.813456 0.902489 Ho\n0.484915 0.686544 0.902489 Ho\n0.984915 0.813456 0.597511 Ho\n0.515085 0.313456 0.402489 Ho\n0.015085 0.186544 0.097511 Ho\n0.828809 0.323485 0.627993 Ho\n0.328809 0.176515 0.872007 Ho\n0.171191 0.676515 0.127993 Ho\n0.671191 0.823485 0.372007 Ho\n0.171191 0.676515 0.372007 Ho\n0.671191 0.823485 0.127993 Ho\n0.828809 0.323485 0.872007 Ho\n0.328809 0.176515 0.627993 Ho\n0.667244 0.034259 0.536522 Ge\n0.167244 0.465741 0.963478 Ge\n0.332756 0.965741 0.036522 Ge\n0.832756 0.534259 0.463478 Ge\n0.332756 0.965741 0.463478 Ge\n0.832756 0.534259 0.036522 Ge\n0.667244 0.034259 0.963478 Ge\n0.167244 0.465741 0.536522 Ge\n0.517534 0.413939 0.750000 Ge\n0.017534 0.086061 0.750000 Ge\n0.482466 0.586061 0.250000 Ge\n0.982466 0.913939 0.250000 Ge\n0.783483 0.636239 0.750000 Ge\n0.283483 0.863761 0.750000 Ge\n0.216517 0.363761 0.250000 Ge\n0.716517 0.136239 0.250000 Ge\n",
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"formula_full": "Li4 Ho16 Ge16",
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},
{
"id": "mp-1097299",
"created_at": "2022-09-04T14:47:28.089918Z",
"structure_string": "Rb2 Na1 Hg1\n1.0\n-7.163023 7.764362 10.125819\n7.163023 -7.764362 10.125819\n7.163023 7.764362 -10.125819\nRb Na Hg\n2 1 1\ndirect\n0.249841 0.000000 0.249841 Rb\n0.750159 0.000000 0.750159 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Hg\n",
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"volume": 2252.642494256752,
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"formula_full": "Rb2 Na1 Hg1",
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},
{
"id": "mp-1226143",
"created_at": "2022-09-04T14:47:28.101988Z",
"structure_string": "Er15 Fe4 Ru4 C25\n1.0\n-0.000425 -0.000693 -5.075856\n-6.000300 -10.396357 -0.001975\n-6.003963 10.398473 0.000942\nEr Fe Ru C\n15 4 4 25\ndirect\n0.251890 0.116624 0.709278 Er\n0.252061 0.291016 0.407752 Er\n0.251698 0.592699 0.883231 Er\n0.742742 0.884435 0.596653 Er\n0.742593 0.403449 0.288027 Er\n0.742650 0.711924 0.115396 Er\n0.241464 0.635755 0.489319 Er\n0.241728 0.510719 0.146319 Er\n0.242077 0.853273 0.364537 Er\n0.754974 0.364309 0.852947 Er\n0.754762 0.147106 0.511456 Er\n0.755039 0.488917 0.635751 Er\n0.505524 0.830305 0.830836 Er\n0.505373 0.169013 0.999374 Er\n0.505577 0.000569 0.169174 Er\n0.009722 0.744766 0.743749 Fe\n0.009248 0.255710 0.000120 Fe\n0.009680 0.999161 0.255171 Fe\n0.265435 0.333348 0.666730 Fe\n0.740517 0.666644 0.333251 Ru\n0.005795 0.136637 0.136464 Ru\n0.005247 0.863794 0.000212 Ru\n0.005642 0.999872 0.863589 Ru\n0.241983 0.876275 0.576679 C\n0.241454 0.423575 0.299930 C\n0.241480 0.700075 0.123514 C\n0.758223 0.124601 0.699013 C\n0.758090 0.300922 0.425654 C\n0.757983 0.574493 0.875213 C\n0.186829 0.882888 0.692604 C\n0.187615 0.307410 0.190850 C\n0.187542 0.809548 0.117022 C\n0.801870 0.110811 0.805357 C\n0.802116 0.194762 0.305447 C\n0.802029 0.694756 0.889327 C\n0.257600 0.356442 0.829431 C\n0.257368 0.170657 0.526970 C\n0.257705 0.473087 0.643511 C\n0.738984 0.637873 0.480579 C\n0.739485 0.519198 0.157538 C\n0.739669 0.842566 0.361921 C\n0.237127 0.320633 0.919817 C\n0.237055 0.080032 0.400861 C\n0.236672 0.599388 0.679568 C\n0.762829 0.682326 0.607820 C\n0.762575 0.391959 0.074261 C\n0.762550 0.925741 0.317901 C\n0.251728 0.999937 0.999875 C\n",
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