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{
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{
"id": "mp-28530",
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"structure_string": "K2 Ta15 O32\n1.0\n12.273436 -3.936287 0.000000\n12.273436 3.936287 0.000000\n11.011006 0.000000 6.699950\nK Ta O\n2 15 32\ndirect\n0.859462 0.859462 0.859462 K\n0.140538 0.140538 0.140538 K\n0.500000 0.500000 0.500000 Ta\n0.298249 0.974521 0.429304 Ta\n0.429304 0.298249 0.974521 Ta\n0.974521 0.429304 0.298249 Ta\n0.701751 0.025479 0.570696 Ta\n0.570696 0.701751 0.025479 Ta\n0.025479 0.570696 0.701751 Ta\n0.185724 0.771254 0.946554 Ta\n0.946554 0.185724 0.771254 Ta\n0.771254 0.946554 0.185724 Ta\n0.814276 0.228746 0.053446 Ta\n0.053446 0.814276 0.228746 Ta\n0.228746 0.053446 0.814276 Ta\n0.637346 0.637346 0.637346 Ta\n0.362654 0.362654 0.362654 Ta\n0.324674 0.737573 0.534394 O\n0.534394 0.324674 0.737573 O\n0.737573 0.534394 0.324674 O\n0.675326 0.262427 0.465606 O\n0.465606 0.675326 0.262427 O\n0.262427 0.465606 0.675326 O\n0.032247 0.151277 0.445114 O\n0.445114 0.032247 0.151277 O\n0.151277 0.445114 0.032247 O\n0.967753 0.848723 0.554886 O\n0.554886 0.967753 0.848723 O\n0.848723 0.554886 0.967753 O\n0.263163 0.263163 0.263163 O\n0.736837 0.736837 0.736837 O\n0.140422 0.960252 0.700675 O\n0.700675 0.140422 0.960252 O\n0.960252 0.700675 0.140422 O\n0.169442 0.259612 0.570829 O\n0.259612 0.570829 0.169442 O\n0.570829 0.169442 0.259612 O\n0.830558 0.740388 0.429171 O\n0.740388 0.429171 0.830558 O\n0.429171 0.830558 0.740388 O\n0.457838 0.154759 0.571072 O\n0.154759 0.571072 0.457838 O\n0.571072 0.457838 0.154759 O\n0.542162 0.845241 0.428928 O\n0.845241 0.428928 0.542162 O\n0.428928 0.542162 0.845241 O\n0.039748 0.299325 0.859578 O\n0.299325 0.859578 0.039748 O\n0.859578 0.039748 0.299325 O\n",
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"Ta",
"O"
],
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"volume": 647.3728408899116,
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"formula_full": "K2 Ta15 O32",
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"spacegroup": 148
},
{
"id": "mp-1234218",
"created_at": "2022-09-04T14:47:40.313500Z",
"structure_string": "K8 Mg1 Co2 Mo8 O30\n1.0\n10.573927 -0.016298 -0.165418\n-5.300213 9.076622 0.055227\n-0.128554 -0.024276 8.481108\nK Mg Co Mo O\n8 1 2 8 30\ndirect\n0.096478 0.677095 0.137727 K\n0.595233 0.905180 0.151149 K\n0.400728 0.089581 0.855393 K\n0.997946 0.995539 0.015067 K\n0.873959 0.283083 0.914760 K\n0.698484 0.605744 0.863659 K\n0.297809 0.410024 0.136214 K\n0.003100 0.002419 0.522278 K\n0.116001 0.448524 0.679757 Mg\n0.331706 0.663718 0.460130 Co\n0.673258 0.333658 0.524345 Co\n0.969698 0.308208 0.360788 Mo\n0.019879 0.681437 0.627685 Mo\n0.335360 0.006362 0.365476 Mo\n0.653055 0.330866 0.160215 Mo\n0.675240 0.001609 0.635197 Mo\n0.349432 0.682390 0.845755 Mo\n0.672264 0.661568 0.367439 Mo\n0.343469 0.341760 0.622830 Mo\n0.496573 0.831758 0.654029 O\n0.660074 0.479661 0.350458 O\n0.743381 0.010846 0.443854 O\n0.491492 0.642347 0.344880 O\n0.167016 0.506166 0.905237 O\n0.141649 0.498971 0.358295 O\n0.265464 0.993923 0.555288 O\n0.360694 0.848621 0.340129 O\n0.506983 0.343476 0.067208 O\n0.874021 0.493178 0.658899 O\n0.330658 0.514018 0.640792 O\n0.799205 0.328610 0.349651 O\n0.989066 0.266519 0.573071 O\n0.740509 0.732736 0.558172 O\n0.337446 0.825095 0.946255 O\n0.809445 0.472923 0.064269 O\n0.208137 0.992739 0.215203 O\n0.996840 0.734275 0.437304 O\n0.632772 0.168749 0.069594 O\n0.795863 0.004374 0.789350 O\n0.986000 0.216037 0.191281 O\n0.510229 0.183355 0.353406 O\n0.525860 0.368002 0.654510 O\n0.192279 0.668222 0.639976 O\n0.271767 0.266811 0.435191 O\n0.651929 0.160017 0.664458 O\n0.782473 0.785193 0.218338 O\n0.009491 0.794207 0.775692 O\n0.486039 0.654238 0.943529 O\n0.227296 0.217417 0.766756 O\n",
"nsites": 49,
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"Mg",
"Co",
"Mo",
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],
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"density_atomic": 0.06026717224014653,
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"formula_full": "K8 Mg1 Co2 Mo8 O30",
"formula_reduced": "K8MgCo2(Mo4O15)2",
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"updated_at": "2021-11-28T01:38:20.164000Z",
"spacegroup": 1
},
{
"id": "mp-1044661",
"created_at": "2022-09-04T14:42:39.869588Z",
"structure_string": "Y4 V13 Si2 Sb2 O28\n1.0\n5.738316 -0.076694 1.398196\n1.651890 8.937427 0.393389\n0.018955 -0.050348 12.418642\nY V Si Sb O\n4 13 2 2 28\ndirect\n0.084931 0.658813 0.410934 Y\n0.503116 0.340159 0.412697 Y\n0.914868 0.340796 0.588167 Y\n0.497709 0.659399 0.587554 Y\n0.903240 0.643202 0.735864 V\n0.644072 0.342357 0.120273 V\n0.356958 0.358084 0.735728 V\n0.092816 0.357153 0.264836 V\n0.353450 0.657540 0.881040 V\n0.288668 0.999531 0.423648 V\n0.235236 0.656157 0.122719 V\n0.999009 0.000245 0.000041 V\n0.425629 0.000370 0.145285 V\n0.763170 0.342928 0.880523 V\n0.639010 0.644822 0.263680 V\n0.576079 0.998184 0.852469 V\n0.712354 0.999584 0.575792 V\n0.233390 0.309527 0.000535 Si\n0.765598 0.691197 0.000357 Si\n0.862149 0.000988 0.282267 Sb\n0.147959 0.000241 0.716832 Sb\n0.744331 0.385924 0.258195 O\n0.123314 0.391425 0.419811 O\n0.952851 0.351344 0.000447 O\n0.309011 0.127691 0.000814 O\n0.878412 0.608435 0.579257 O\n0.255100 0.611618 0.741711 O\n0.023633 0.105475 0.573321 O\n0.978145 0.894374 0.425372 O\n0.688173 0.873242 0.999495 O\n0.176478 0.883283 0.128433 O\n0.293071 0.390364 0.107286 O\n0.986322 0.610953 0.260374 O\n0.404784 0.894998 0.572244 O\n0.692800 0.117818 0.128053 O\n0.602365 0.611254 0.109066 O\n0.045109 0.649805 0.000452 O\n0.304878 0.883413 0.871950 O\n0.821513 0.117456 0.871526 O\n0.596292 0.105087 0.426308 O\n0.184740 0.123927 0.274360 O\n0.806884 0.874788 0.725420 O\n0.399754 0.388651 0.893170 O\n0.447668 0.124814 0.723628 O\n0.541905 0.392307 0.580412 O\n0.703829 0.610139 0.894425 O\n0.543906 0.873147 0.273907 O\n0.001898 0.389072 0.742206 O\n0.460274 0.607366 0.418483 O\n",
"nsites": 49,
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"elements": [
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"V",
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],
"chemical_system": "O-Sb-Si-V-Y",
"density": 4.593531449668802,
"density_atomic": 0.07677447028797368,
"volume": 638.2329935485806,
"volume_molar": 7.843936581276988,
"formula_full": "Y4 V13 Si2 Sb2 O28",
"formula_reduced": "Y4V13Si2(SbO14)2",
"formula_anonymous": "A2B2C4D13E28",
"energy": -424.08485558,
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"updated_at": "2021-11-28T01:35:53.378000Z",
"spacegroup": 2
},
{
"id": "mp-1044612",
"created_at": "2022-09-04T14:42:44.857324Z",
"structure_string": "Y4 Co13 Si2 Sb2 O28\n1.0\n11.883614 2.775317 0.000000\n-11.883614 2.775317 0.000000\n0.000000 1.561880 9.432896\nY Co Si Sb O\n4 13 2 2 28\ndirect\n0.514799 0.926795 0.340580 Y\n0.073205 0.485201 0.659420 Y\n0.485201 0.073205 0.659420 Y\n0.926795 0.514799 0.340580 Y\n0.336755 0.079156 0.372756 Co\n0.203613 0.328534 0.691010 Co\n0.920844 0.663245 0.627244 Co\n0.663245 0.920844 0.627244 Co\n0.796387 0.671466 0.308990 Co\n0.291902 0.708098 0.000000 Co\n0.671466 0.796387 0.308990 Co\n0.000000 0.000000 0.000000 Co\n0.427690 0.572310 0.000000 Co\n0.328534 0.203613 0.691010 Co\n0.079156 0.336755 0.372756 Co\n0.572310 0.427690 0.000000 Co\n0.708098 0.291902 0.000000 Co\n0.755036 0.755036 0.713815 Si\n0.244964 0.244964 0.286185 Si\n0.858529 0.141471 0.000000 Sb\n0.141471 0.858529 0.000000 Sb\n0.031436 0.285204 0.594838 O\n0.461975 0.879098 0.608577 O\n0.050329 0.050329 0.656439 O\n0.703750 0.703750 0.890352 O\n0.538025 0.120902 0.391423 O\n0.968564 0.714796 0.405162 O\n0.404129 0.990094 0.892938 O\n0.595871 0.009906 0.107062 O\n0.296250 0.296250 0.109648 O\n0.725001 0.877981 0.103662 O\n0.570236 0.681167 0.654355 O\n0.714796 0.968564 0.405162 O\n0.009906 0.595871 0.107062 O\n0.122019 0.274999 0.896338 O\n0.318833 0.429764 0.345645 O\n0.949671 0.949671 0.343561 O\n0.877981 0.725001 0.103662 O\n0.274999 0.122019 0.896338 O\n0.990094 0.404129 0.892938 O\n0.590098 0.876593 0.879659 O\n0.409902 0.123407 0.120341 O\n0.681167 0.570236 0.654355 O\n0.876593 0.590098 0.879659 O\n0.879098 0.461975 0.608577 O\n0.429764 0.318833 0.345645 O\n0.123407 0.409902 0.120341 O\n0.285204 0.031436 0.594838 O\n0.120902 0.538025 0.391423 O\n",
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"density_atomic": 0.0787516941677367,
"volume": 622.2088364935076,
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"formula_full": "Y4 Co13 Si2 Sb2 O28",
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"updated_at": "2021-11-28T01:35:51.368000Z",
"spacegroup": 12
},
{
"id": "mp-648992",
"created_at": "2022-09-04T14:42:23.320402Z",
"structure_string": "Na6 Mo10 O33\n1.0\n7.683679 0.000000 0.000000\n1.508064 8.069323 0.000000\n3.636842 3.371471 11.300886\nNa Mo O\n6 10 33\ndirect\n0.894871 0.658736 0.215993 Na\n0.366965 0.612526 0.239340 Na\n0.633035 0.387474 0.760660 Na\n0.105129 0.341264 0.784007 Na\n0.855402 0.152789 0.233478 Na\n0.144598 0.847211 0.766522 Na\n0.287589 0.391725 0.017770 Mo\n0.951646 0.230185 0.492791 Mo\n0.712411 0.608275 0.982230 Mo\n0.449436 0.228028 0.499141 Mo\n0.281187 0.983027 0.026148 Mo\n0.323812 0.068551 0.317933 Mo\n0.550564 0.771972 0.500859 Mo\n0.718813 0.016973 0.973852 Mo\n0.048354 0.769815 0.507209 Mo\n0.676188 0.931449 0.682067 Mo\n0.710864 0.541771 0.132960 O\n0.217752 0.187441 0.471849 O\n0.610026 0.075259 0.768030 O\n0.220420 0.010017 0.895341 O\n0.851522 0.813784 0.926439 O\n0.389974 0.924741 0.231970 O\n0.062870 0.616579 0.640868 O\n0.148478 0.186216 0.073561 O\n0.665313 0.713098 0.373373 O\n0.779580 0.989983 0.104659 O\n0.300829 0.835755 0.480907 O\n0.289136 0.458229 0.867040 O\n0.334687 0.286902 0.626627 O\n0.699171 0.164245 0.519093 O\n0.063207 0.033145 0.378603 O\n0.487848 0.420132 0.387799 O\n0.151614 0.823429 0.134942 O\n0.937130 0.383421 0.359132 O\n0.535382 0.061296 0.376051 O\n0.327581 0.276287 0.211991 O\n0.512152 0.579868 0.612201 O\n0.936793 0.966855 0.621397 O\n0.848386 0.176571 0.865058 O\n0.113211 0.527212 0.078722 O\n0.100274 0.657697 0.402467 O\n0.672419 0.723713 0.788009 O\n0.483867 0.156193 0.992291 O\n0.464618 0.938704 0.623949 O\n0.500000 0.500000 0.000000 O\n0.782248 0.812559 0.528151 O\n0.886789 0.472788 0.921278 O\n0.899726 0.342303 0.597533 O\n0.516133 0.843807 0.007709 O\n",
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"density": 3.851845453030554,
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"volume": 700.678524625966,
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"formula_full": "Na6 Mo10 O33",
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"energy": -378.97712554,
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"spacegroup": 2
},
{
"id": "mp-1196024",
"created_at": "2022-09-04T14:42:18.900623Z",
"structure_string": "Pr1 Ga40 Mo8\n1.0\n6.557620 -7.065991 0.000000\n6.557620 7.065991 0.000000\n-1.056153 0.000000 9.582022\nPr Ga Mo\n1 40 8\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.269318 0.639321 0.611409 Ga\n0.611409 0.269318 0.639321 Ga\n0.639321 0.611409 0.269318 Ga\n0.730682 0.360679 0.388591 Ga\n0.388591 0.730682 0.360679 Ga\n0.360679 0.388591 0.730682 Ga\n0.673766 0.776041 0.530895 Ga\n0.530895 0.673766 0.776041 Ga\n0.776041 0.530895 0.673766 Ga\n0.326234 0.223959 0.469105 Ga\n0.469105 0.326234 0.223959 Ga\n0.223959 0.469105 0.326234 Ga\n0.779179 0.072258 0.442638 Ga\n0.442638 0.779179 0.072258 Ga\n0.072258 0.442638 0.779179 Ga\n0.220821 0.927742 0.557362 Ga\n0.557362 0.220821 0.927742 Ga\n0.927742 0.557362 0.220821 Ga\n0.965077 0.785903 0.595397 Ga\n0.595397 0.965077 0.785903 Ga\n0.785903 0.595397 0.965077 Ga\n0.034923 0.214097 0.404603 Ga\n0.404603 0.034923 0.214097 Ga\n0.214097 0.404603 0.034923 Ga\n0.039863 0.709723 0.858241 Ga\n0.858241 0.039863 0.709723 Ga\n0.709723 0.858241 0.039863 Ga\n0.960137 0.290277 0.141759 Ga\n0.141759 0.960137 0.290277 Ga\n0.290277 0.141759 0.960137 Ga\n0.120752 0.170572 0.691083 Ga\n0.691083 0.120752 0.170572 Ga\n0.170572 0.691083 0.120752 Ga\n0.879248 0.829428 0.308917 Ga\n0.308917 0.879248 0.829428 Ga\n0.829428 0.308917 0.879248 Ga\n0.788181 0.788181 0.788181 Mo\n0.211819 0.211819 0.211819 Mo\n0.290092 0.610478 0.886144 Mo\n0.886144 0.290092 0.610478 Mo\n0.610478 0.886144 0.290092 Mo\n0.709908 0.389522 0.113856 Mo\n0.113856 0.709908 0.389522 Mo\n0.389522 0.113856 0.709908 Mo\n",
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],
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"volume": 887.9867506745046,
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"formula_full": "Pr1 Ga40 Mo8",
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"formula_anonymous": "AB8C40",
"energy": -220.25986598,
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"updated_at": "2021-11-28T01:35:49.722000Z",
"spacegroup": 148
},
{
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{
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{
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{
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"structure_string": "Na4 Li5 W10 O30\n1.0\n-8.830232 0.000000 0.000000\n1.804509 8.666915 0.000000\n-0.044633 -3.670999 -8.069735\nNa Li W O\n4 5 10 30\ndirect\n0.107578 0.496737 0.198849 Na\n0.200548 0.008417 0.404468 Na\n0.301899 0.491154 0.599569 Na\n0.401916 0.001738 0.803994 Na\n0.527031 0.600935 0.040908 Li\n0.503883 0.987017 0.228824 Li\n0.774116 0.504687 0.342942 Li\n0.841958 0.941789 0.557250 Li\n0.903346 0.500332 0.890050 Li\n0.547871 0.250318 0.603185 W\n0.653237 0.750275 0.798969 W\n0.147339 0.249894 0.801819 W\n0.348139 0.248186 0.199361 W\n0.450002 0.750950 0.401422 W\n0.948963 0.254545 0.404301 W\n0.049941 0.751970 0.600820 W\n0.247179 0.747254 0.993101 W\n0.750613 0.244553 0.998178 W\n0.847397 0.752506 0.195724 W\n0.645898 0.234581 0.785314 O\n0.743836 0.735037 0.992598 O\n0.241865 0.236098 0.988642 O\n0.452733 0.262811 0.410791 O\n0.540090 0.767430 0.603613 O\n0.059376 0.244018 0.598640 O\n0.168123 0.769984 0.806596 O\n0.357838 0.738955 0.186362 O\n0.851009 0.283901 0.216740 O\n0.927188 0.724185 0.394620 O\n0.516722 0.006530 0.465318 O\n0.574634 0.491705 0.713558 O\n0.052890 0.989594 0.691786 O\n0.296784 0.997643 0.134674 O\n0.379208 0.499960 0.300836 O\n0.903241 0.992716 0.309325 O\n0.024963 0.509163 0.507582 O\n0.239760 0.498349 0.874762 O\n0.723704 0.008126 0.895493 O\n0.770456 0.493259 0.092657 O\n0.758634 0.269593 0.509885 O\n0.831398 0.720783 0.682344 O\n0.347309 0.206047 0.680987 O\n0.537439 0.228806 0.094074 O\n0.643879 0.738238 0.290093 O\n0.146235 0.248666 0.302409 O\n0.248285 0.782779 0.499069 O\n0.465699 0.781611 0.912533 O\n0.957425 0.302353 0.915242 O\n0.040426 0.703820 0.079726 O\n",
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{
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]
}