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{
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{
"id": "mp-1210898",
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"structure_string": "Rb8 Nb4 Cu4 S8\n1.0\n7.367115 0.000000 0.000000\n3.683558 4.876690 0.000000\n3.683558 0.000000 22.267743\nRb Nb Cu S\n8 4 4 8\ndirect\n0.859914 0.123989 0.608905 Rb\n0.531181 0.876011 0.608905 Rb\n0.016097 0.123989 0.391095 Rb\n0.890086 0.376011 0.891095 Rb\n0.592808 0.876011 0.391095 Rb\n0.218819 0.623989 0.891095 Rb\n0.733903 0.376011 0.108906 Rb\n0.157192 0.623989 0.108906 Rb\n0.375000 0.250000 0.250000 Nb\n0.375000 0.750000 0.250000 Nb\n0.375000 0.250000 0.750000 Nb\n0.875000 0.750000 0.750000 Nb\n0.875000 0.250000 0.250000 Cu\n0.875000 0.750000 0.250000 Cu\n0.875000 0.250000 0.750000 Cu\n0.375000 0.750000 0.750000 Cu\n0.159036 0.140007 0.182867 S\n0.658097 0.859993 0.182867 S\n0.700956 0.140007 0.817133 S\n0.590964 0.359993 0.317133 S\n0.481910 0.859993 0.817133 S\n0.091903 0.640007 0.317133 S\n0.049044 0.359993 0.682867 S\n0.268090 0.640007 0.682867 S\n",
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{
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"structure_string": "Rb16 Hf4 S16 O68\n1.0\n9.825790 0.000000 0.000000\n0.000000 12.725745 0.000000\n0.000000 0.000000 15.254391\nRb Hf S O\n16 4 16 68\ndirect\n0.899456 0.238671 0.293068 Rb\n0.600544 0.761329 0.793068 Rb\n0.399456 0.261329 0.706932 Rb\n0.100544 0.738671 0.206932 Rb\n0.497071 0.970084 0.235344 Rb\n0.002929 0.029916 0.735344 Rb\n0.997071 0.529916 0.764656 Rb\n0.502929 0.470084 0.264656 Rb\n0.811135 0.483642 0.074326 Rb\n0.688865 0.516358 0.574326 Rb\n0.311135 0.016358 0.925674 Rb\n0.188865 0.983642 0.425674 Rb\n0.808390 0.952131 0.043569 Rb\n0.691610 0.047869 0.543569 Rb\n0.308390 0.547869 0.956431 Rb\n0.191610 0.452131 0.456431 Rb\n0.749027 0.743151 0.376333 Hf\n0.750973 0.256849 0.876333 Hf\n0.249027 0.756849 0.623667 Hf\n0.250973 0.243151 0.123667 Hf\n0.401810 0.727811 0.412765 S\n0.098190 0.272189 0.912765 S\n0.901810 0.772189 0.587235 S\n0.598190 0.227811 0.087235 S\n0.836274 0.952190 0.335376 S\n0.663726 0.047810 0.835376 S\n0.336274 0.547810 0.664624 S\n0.163726 0.452190 0.164624 S\n0.841035 0.532089 0.350577 S\n0.658965 0.467911 0.850577 S\n0.341035 0.967911 0.649423 S\n0.158965 0.032089 0.149423 S\n0.666163 0.721179 0.151376 S\n0.833837 0.278821 0.651376 S\n0.166163 0.778821 0.848624 S\n0.333837 0.221179 0.348624 S\n0.551525 0.747004 0.431942 O\n0.948475 0.252996 0.931942 O\n0.051525 0.752996 0.568058 O\n0.448475 0.247004 0.068058 O\n0.329342 0.756441 0.498316 O\n0.170658 0.243559 0.998316 O\n0.829342 0.743559 0.501684 O\n0.670658 0.256441 0.001684 O\n0.378015 0.617439 0.393641 O\n0.121985 0.382561 0.893641 O\n0.878015 0.882561 0.606359 O\n0.621985 0.117439 0.106359 O\n0.353761 0.800451 0.345066 O\n0.146239 0.199549 0.845066 O\n0.853761 0.699549 0.654934 O\n0.646239 0.300451 0.154934 O\n0.913939 0.847405 0.331443 O\n0.586061 0.152595 0.831443 O\n0.413939 0.652595 0.668557 O\n0.086061 0.347405 0.168557 O\n0.703713 0.912411 0.378236 O\n0.796287 0.087589 0.878236 O\n0.203713 0.587589 0.621764 O\n0.296287 0.412411 0.121764 O\n0.809339 0.994448 0.248135 O\n0.690661 0.005552 0.748135 O\n0.309339 0.505552 0.751865 O\n0.190661 0.494448 0.251865 O\n0.904508 0.027233 0.392974 O\n0.595492 0.972767 0.892974 O\n0.404508 0.472767 0.607026 O\n0.095492 0.527233 0.107026 O\n0.912850 0.637747 0.334996 O\n0.587150 0.362253 0.834996 O\n0.412850 0.862253 0.665004 O\n0.087150 0.137747 0.165004 O\n0.706057 0.574668 0.388699 O\n0.793943 0.425332 0.888699 O\n0.206057 0.925332 0.611301 O\n0.293943 0.074668 0.111301 O\n0.815446 0.476720 0.268422 O\n0.684554 0.523280 0.768422 O\n0.315446 0.023280 0.731578 O\n0.184554 0.976720 0.231578 O\n0.911869 0.468162 0.415109 O\n0.588131 0.531838 0.915109 O\n0.411869 0.031838 0.584891 O\n0.088131 0.968162 0.084891 O\n0.673190 0.739315 0.252404 O\n0.826810 0.260685 0.752404 O\n0.173190 0.760685 0.747596 O\n0.326810 0.239315 0.247596 O\n0.594096 0.622181 0.137451 O\n0.905904 0.377819 0.637451 O\n0.094096 0.877819 0.862549 O\n0.405904 0.122181 0.362549 O\n0.594212 0.812499 0.114512 O\n0.905788 0.187501 0.614512 O\n0.094212 0.687501 0.885488 O\n0.405788 0.312499 0.385488 O\n0.810353 0.716910 0.120761 O\n0.689647 0.283090 0.620761 O\n0.310353 0.783090 0.879239 O\n0.189647 0.216910 0.379239 O\n0.684756 0.266789 0.443825 O\n0.815244 0.733211 0.943825 O\n0.184756 0.233211 0.556175 O\n0.315244 0.766789 0.056175 O\n",
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"elements": [
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"formula_full": "Rb16 Hf4 S16 O68",
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"updated_at": "2021-11-28T01:35:24.841000Z",
"spacegroup": 19
},
{
"id": "mp-1200571",
"created_at": "2022-09-04T14:41:25.082027Z",
"structure_string": "La8 Er8 S24\n1.0\n4.013110 0.000000 0.000000\n0.000000 11.083493 0.000000\n0.000000 4.311910 21.221797\nLa Er S\n8 8 24\ndirect\n0.250000 0.302668 0.764829 La\n0.750000 0.697332 0.235171 La\n0.250000 0.907927 0.863447 La\n0.750000 0.092073 0.136553 La\n0.250000 0.692133 0.730892 La\n0.750000 0.307867 0.269108 La\n0.250000 0.800171 0.534057 La\n0.750000 0.199829 0.465943 La\n0.250000 0.551471 0.416967 Er\n0.750000 0.448529 0.583033 Er\n0.250000 0.971427 0.350881 Er\n0.750000 0.028573 0.649119 Er\n0.250000 0.821534 0.047279 Er\n0.750000 0.178466 0.952721 Er\n0.250000 0.476815 0.088376 Er\n0.750000 0.523185 0.911624 Er\n0.250000 0.085652 0.035976 S\n0.750000 0.914348 0.964024 S\n0.250000 0.204321 0.367609 S\n0.750000 0.795679 0.632391 S\n0.250000 0.745975 0.325247 S\n0.750000 0.254025 0.674753 S\n0.250000 0.635755 0.963832 S\n0.750000 0.364245 0.036168 S\n0.250000 0.505880 0.221876 S\n0.750000 0.494120 0.778124 S\n0.250000 0.251544 0.175226 S\n0.750000 0.748456 0.824774 S\n0.250000 0.876009 0.164083 S\n0.750000 0.123991 0.835917 S\n0.250000 0.356694 0.515260 S\n0.750000 0.643306 0.484740 S\n0.250000 0.057107 0.556557 S\n0.750000 0.942893 0.443443 S\n0.250000 0.962982 0.728036 S\n0.750000 0.037018 0.271964 S\n0.250000 0.546295 0.633118 S\n0.750000 0.453705 0.366882 S\n0.250000 0.341529 0.900543 S\n0.750000 0.658471 0.099457 S\n",
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"formula_full": "La8 Er8 S24",
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"updated_at": "2021-11-28T01:35:20.585000Z",
"spacegroup": 11
},
{
"id": "mp-1111445",
"created_at": "2022-09-04T14:41:24.386305Z",
"structure_string": "Na3 Ga1 Cl6\n1.0\n0.000000 5.063210 5.063210\n5.063210 0.000000 5.063210\n5.063210 5.063210 0.000000\nNa Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.765272 0.234728 0.234728 Cl\n0.234728 0.234728 0.765272 Cl\n0.234728 0.765272 0.765272 Cl\n0.234728 0.765272 0.234728 Cl\n0.765272 0.234728 0.765272 Cl\n0.765272 0.765272 0.234728 Cl\n",
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{
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"structure_string": "Nb2 Ni1 S4\n1.0\n1.733675 -3.002813 0.000000\n1.733675 3.002813 0.000000\n0.000000 0.000000 13.199826\nNb Ni S\n2 1 4\ndirect\n0.333333 0.666667 0.269685 Nb\n0.666667 0.333333 0.730315 Nb\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.091200 S\n0.666667 0.333333 0.908800 S\n0.333333 0.666667 0.628645 S\n0.666667 0.333333 0.371355 S\n",
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},
{
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"structure_string": "Sr2 Cl4 O4\n1.0\n2.997597 5.045412 0.000000\n-2.997597 5.045412 0.000000\n0.000000 1.442385 7.059508\nSr Cl O\n2 4 4\ndirect\n0.669151 0.330849 0.250000 Sr\n0.330849 0.669151 0.750000 Sr\n0.667858 0.980016 0.742881 Cl\n0.019984 0.332142 0.757119 Cl\n0.332142 0.019984 0.257119 Cl\n0.980016 0.667858 0.242881 Cl\n0.254654 0.552177 0.095449 O\n0.447823 0.745346 0.404551 O\n0.745346 0.447823 0.904551 O\n0.552177 0.254654 0.595449 O\n",
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},
{
"id": "mp-1201432",
"created_at": "2022-09-04T14:41:25.008350Z",
"structure_string": "Sr30 Ti46 O122\n1.0\n-5.640911 0.026265 0.000000\n0.000000 0.000000 -23.406589\n0.141204 -30.111007 0.000000\nSr Ti O\n30 46 122\ndirect\n0.502404 -0.000000 0.190112 Sr\n0.497596 0.000000 0.809888 Sr\n0.509416 0.829419 0.188961 Sr\n0.509416 0.170581 0.188961 Sr\n0.490584 0.170581 0.811039 Sr\n0.490584 0.829419 0.811039 Sr\n0.492320 0.663458 0.195070 Sr\n0.492320 0.336542 0.195070 Sr\n0.507679 0.336542 0.804930 Sr\n0.507679 0.663458 0.804930 Sr\n0.491337 0.500000 0.194918 Sr\n0.508663 0.500000 0.805082 Sr\n-0.000298 0.000000 0.094351 Sr\n0.000298 -0.000000 0.905649 Sr\n0.001773 0.835976 0.091987 Sr\n0.001773 0.164024 0.091987 Sr\n0.998227 0.164024 0.908013 Sr\n0.998227 0.835976 0.908013 Sr\n0.998608 0.667266 0.089762 Sr\n0.998608 0.332734 0.089762 Sr\n0.001392 0.332734 0.910238 Sr\n0.001392 0.667266 0.910238 Sr\n0.998599 0.500000 0.089159 Sr\n0.001401 0.500000 0.910841 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.835361 -0.000000 Sr\n0.500000 0.164639 -0.000000 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