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{
"id": "mp-1110588",
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"structure_string": "Rb2 Mn1 Au1 F6\n1.0\n6.252099 0.000000 0.000000\n3.126050 5.414476 0.000000\n3.126050 1.804825 5.104817\nRb Mn Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Au\n0.222813 0.777187 0.222813 F\n0.777187 0.777187 0.222813 F\n0.777187 0.222813 0.777187 F\n0.777187 0.222813 0.222813 F\n0.222813 0.777187 0.777187 F\n0.222813 0.222813 0.777187 F\n",
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{
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"structure_string": "Al1 Cu1 Se2\n1.0\n0.000000 3.233835 3.233835\n3.233835 0.000000 3.233835\n3.233835 3.233835 0.000000\nAl Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.750000 0.750000 0.750000 Se\n0.250000 0.250000 0.250000 Se\n",
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},
{
"id": "mp-1104042",
"created_at": "2022-09-04T14:40:29.345176Z",
"structure_string": "Sr4 Zn4 As6\n1.0\n2.165239 8.194311 0.000000\n-2.165239 8.194311 0.000000\n0.000000 7.169568 9.733503\nSr Zn As\n4 4 6\ndirect\n0.266735 0.266735 0.336570 Sr\n0.733265 0.733265 0.663430 Sr\n0.393948 0.393948 0.949988 Sr\n0.606052 0.606052 0.050012 Sr\n0.038348 0.038348 0.686527 Zn\n0.961652 0.961652 0.313473 Zn\n0.411385 0.411385 0.650950 Zn\n0.588615 0.588615 0.349050 Zn\n0.075781 0.075781 0.874343 As\n0.924219 0.924219 0.125657 As\n0.151744 0.151744 0.203299 As\n0.848256 0.848256 0.796701 As\n0.390208 0.390208 0.457979 As\n0.609792 0.609792 0.542021 As\n",
"nsites": 14,
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"elements": [
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"Zn",
"As"
],
"chemical_system": "As-Sr-Zn",
"density": 5.104006457354315,
"density_atomic": 0.04053317177734469,
"volume": 345.39611350684027,
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"formula_full": "Sr4 Zn4 As6",
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"energy": -50.72466973,
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"spacegroup": 12
},
{
"id": "mp-1212244",
"created_at": "2022-09-04T14:40:29.349525Z",
"structure_string": "In3 Hg1\n1.0\n2.903808 -5.107257 0.000000\n2.903808 5.107257 0.000000\n0.000000 0.000000 21.434437\nIn Hg\n3 1\ndirect\n0.000000 0.000000 0.500000 In\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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],
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"volume": 635.7665672687575,
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"formula_full": "In3 Hg1",
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"spacegroup": 65
},
{
"id": "mp-945194",
"created_at": "2022-09-04T14:40:29.350221Z",
"structure_string": "Na5 Si6 O18\n1.0\n7.364047 0.000000 0.000000\n-3.628817 -6.447215 0.000000\n-3.647487 2.018124 -9.556655\nNa Si O\n5 6 18\ndirect\n0.000000 0.000000 0.500000 Na\n0.317185 0.129050 0.000943 Na\n0.622467 0.311859 0.497682 Na\n0.682815 0.870950 0.999057 Na\n0.377533 0.688141 0.502318 Na\n0.070524 0.815061 0.248356 Si\n0.929476 0.184939 0.751644 Si\n0.841046 0.346313 0.255653 Si\n0.589743 0.580547 0.244673 Si\n0.158954 0.653687 0.744347 Si\n0.410257 0.419453 0.755327 Si\n0.629716 0.377079 0.251635 O\n0.370284 0.622921 0.748365 O\n0.121678 0.924128 0.120973 O\n0.286895 0.996450 0.380836 O\n0.878322 0.075872 0.879027 O\n0.713105 0.003550 0.619164 O\n0.046171 0.581588 0.256030 O\n0.831315 0.786060 0.247709 O\n0.953829 0.418412 0.743970 O\n0.168685 0.213940 0.752291 O\n0.739693 0.154310 0.127661 O\n0.548826 0.626073 0.379447 O\n0.616106 0.468272 0.902517 O\n0.075259 0.739178 0.605586 O\n0.383894 0.531728 0.097483 O\n0.924741 0.260822 0.394414 O\n0.451174 0.373927 0.620553 O\n0.260307 0.845690 0.872339 O\n",
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"elements": [
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"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.091382727308388,
"density_atomic": 0.06391508708695065,
"volume": 453.72698875538015,
"volume_molar": 9.422095837571849,
"formula_full": "Na5 Si6 O18",
"formula_reduced": "Na5(SiO3)6",
"formula_anonymous": "A5B6C18",
"energy": -195.64658875,
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"updated_at": "2021-11-28T01:35:05.616000Z",
"spacegroup": 2
},
{
"id": "mp-1093635",
"created_at": "2022-09-04T14:40:29.352066Z",
"structure_string": "Nb1 Tc2 Sb1\n1.0\n-4.759954 5.563642 7.780649\n4.759954 -5.563642 7.780649\n4.759954 5.563642 -7.780649\nNb Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.232884 0.232884 Tc\n0.000000 0.767116 0.767116 Tc\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"Tc",
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],
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"density_atomic": 0.0048531335598066445,
"volume": 824.2097504028645,
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"formula_full": "Nb1 Tc2 Sb1",
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"formula_anonymous": "ABC2",
"energy": -21.89021559,
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"updated_at": "2021-11-28T01:35:00.780000Z",
"spacegroup": 71
},
{
"id": "mp-581644",
"created_at": "2022-09-04T14:40:29.355533Z",
"structure_string": "Y24 Si24 O84\n1.0\n6.657631 0.000000 0.000000\n-0.206753 6.703774 0.000000\n-0.828885 -2.863141 36.242493\nY Si O\n24 24 84\ndirect\n0.622164 0.299891 0.955163 Y\n0.907015 0.178868 0.792552 Y\n0.349540 0.329501 0.201296 Y\n0.314359 0.842364 0.369556 Y\n0.882487 0.397895 0.048594 Y\n0.685641 0.157636 0.630444 Y\n0.953326 0.156226 0.128671 Y\n0.381585 0.790577 0.696510 Y\n0.117513 0.602105 0.951406 Y\n0.623626 0.809253 0.454297 Y\n0.117253 0.109697 0.451995 Y\n0.092985 0.821132 0.207448 Y\n0.650460 0.670499 0.798704 Y\n0.882747 0.890303 0.548005 Y\n0.048859 0.331478 0.706305 Y\n0.046674 0.843774 0.871329 Y\n0.950148 0.664338 0.630583 Y\n0.377836 0.700109 0.044837 Y\n0.680028 0.665143 0.133011 Y\n0.319972 0.334857 0.866989 Y\n0.618415 0.209423 0.303490 Y\n0.049852 0.335662 0.369417 Y\n0.951141 0.668522 0.293695 Y\n0.376374 0.190747 0.545703 Y\n0.157481 0.655988 0.790793 Si\n0.457873 0.676394 0.276640 Si\n0.151785 0.153493 0.290071 Si\n0.133925 0.638119 0.459424 Si\n0.848215 0.846507 0.709929 Si\n0.491387 0.152911 0.107522 Si\n0.401045 0.042935 0.778226 Si\n0.375926 0.216702 0.031449 Si\n0.625619 0.289512 0.469286 Si\n0.160802 0.136915 0.630549 Si\n0.137212 0.135863 0.959740 Si\n0.624074 0.783298 0.968551 Si\n0.495932 0.646546 0.606077 Si\n0.504068 0.353454 0.393923 Si\n0.862788 0.864137 0.040260 Si\n0.841951 0.360691 0.871413 Si\n0.374381 0.710488 0.530714 Si\n0.542127 0.323606 0.723360 Si\n0.839198 0.863085 0.369451 Si\n0.598955 0.957065 0.221774 Si\n0.842519 0.344012 0.209207 Si\n0.866075 0.361881 0.540576 Si\n0.158049 0.639309 0.128587 Si\n0.508613 0.847089 0.892478 Si\n0.324999 0.254002 0.266122 O\n0.418581 0.671563 0.981854 O\n0.296319 0.712520 0.309156 O\n0.222775 0.065575 0.670774 O\n0.409172 0.548733 0.562861 O\n0.581419 0.328437 0.018146 O\n0.046605 0.216371 0.525346 O\n0.384922 0.992277 0.201770 O\n0.615078 0.007723 0.798230 O\n0.935601 0.568663 0.564287 O\n0.774327 0.607130 0.956494 O\n0.014571 0.330656 0.640410 O\n0.020470 0.198697 0.192214 O\n0.305840 0.598295 0.824931 O\n0.941755 0.534756 0.233900 O\n0.726564 0.426777 0.504851 O\n0.306429 0.803941 0.766578 O\n0.364727 0.463333 0.708847 O\n0.280931 0.077053 0.995454 O\n0.991451 0.478296 0.108153 O\n0.703113 0.802507 0.867914 O\n0.589268 0.944564 0.936512 O\n0.355116 0.003762 0.875634 O\n0.271817 0.115406 0.329848 O\n0.985429 0.669344 0.359590 O\n0.578632 0.823177 0.517104 O\n0.629069 0.843553 0.595448 O\n0.253241 0.170737 0.804379 O\n0.979530 0.801303 0.807786 O\n0.774387 0.113774 0.456193 O\n0.296887 0.197493 0.132086 O\n0.954976 0.279340 0.974659 O\n0.728183 0.884594 0.670152 O\n0.370931 0.156447 0.404552 O\n0.746759 0.829263 0.195621 O\n0.719451 0.707234 0.062323 O\n0.644884 0.996238 0.124366 O\n0.353167 0.619072 0.236455 O\n0.675001 0.745998 0.733878 O\n0.025985 0.688903 0.694948 O\n0.645446 0.310370 0.894865 O\n0.012393 0.830290 0.139045 O\n0.703681 0.287480 0.690844 O\n0.643842 0.812828 0.393462 O\n0.630242 0.348156 0.097741 O\n0.064399 0.431337 0.435713 O\n0.421368 0.176823 0.482896 O\n0.280549 0.292766 0.937677 O\n0.369758 0.651844 0.902259 O\n0.354554 0.689630 0.105135 O\n0.225673 0.392870 0.043506 O\n0.693571 0.196059 0.233422 O\n0.225613 0.886226 0.543807 O\n0.974015 0.311097 0.305052 O\n0.273436 0.573223 0.495149 O\n0.772090 0.425877 0.831220 O\n0.953395 0.783629 0.474654 O\n0.694160 0.401705 0.175069 O\n0.068395 0.927371 0.936527 O\n0.646833 0.380928 0.763545 O\n0.227910 0.574123 0.168780 O\n0.691353 0.309641 0.366872 O\n0.651782 0.493443 0.622886 O\n0.581571 0.893964 0.265590 O\n0.418429 0.106036 0.734410 O\n0.048464 0.953674 0.266734 O\n0.996130 0.979678 0.607769 O\n0.635273 0.536667 0.291153 O\n0.951536 0.046326 0.733266 O\n0.931605 0.072629 0.063473 O\n0.987607 0.169710 0.860955 O\n0.045024 0.720660 0.025341 O\n0.008549 0.521704 0.891847 O\n0.348218 0.506557 0.377114 O\n0.719807 0.202639 0.561648 O\n0.410732 0.055436 0.063488 O\n0.308647 0.690359 0.633128 O\n0.590828 0.451267 0.437139 O\n0.356158 0.187172 0.606538 O\n0.003870 0.020322 0.392231 O\n0.719069 0.922947 0.004546 O\n0.058245 0.465244 0.766100 O\n0.280193 0.797361 0.438352 O\n0.777225 0.934425 0.329226 O\n",
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{
"id": "mp-675608",
"created_at": "2022-09-04T14:40:29.361754Z",
"structure_string": "Nb6 Cu4 Te12\n1.0\n6.996181 0.000000 0.000000\n-3.335738 -7.248896 0.000000\n-2.261759 0.271220 -11.045817\nNb Cu Te\n6 4 12\ndirect\n0.393898 0.017014 0.785899 Nb\n0.626519 0.751129 0.759625 Nb\n0.204109 0.586892 0.095589 Nb\n0.795891 0.413108 0.904411 Nb\n0.373481 0.248871 0.240375 Nb\n0.606102 0.982986 0.214101 Nb\n0.616923 0.894064 0.481498 Cu\n0.826607 0.119967 0.818387 Cu\n0.173393 0.880033 0.181613 Cu\n0.383077 0.105936 0.518502 Cu\n0.461220 0.181984 0.025773 Te\n0.555832 0.388018 0.679672 Te\n0.173303 0.425104 0.859042 Te\n0.035774 0.988477 0.343368 Te\n0.712577 0.233539 0.406532 Te\n0.040492 0.796690 0.902471 Te\n0.287423 0.766461 0.593468 Te\n0.959508 0.203310 0.097529 Te\n0.964226 0.011523 0.656632 Te\n0.826697 0.574896 0.140958 Te\n0.444168 0.611982 0.320328 Te\n0.538780 0.818016 0.974227 Te\n",
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{
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{
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}