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{
"id": "mp-1221336",
"created_at": "2022-09-04T14:41:08.786468Z",
"structure_string": "Na6 Li2 Mg8 Si24 O60\n1.0\n5.147504 -8.936110 0.000000\n5.147504 8.936110 0.000000\n0.000000 0.000000 14.348384\nNa Li Mg Si O\n6 2 8 24 60\ndirect\n0.833295 0.168826 0.500009 Na\n0.168826 0.833295 0.000009 Na\n0.166705 0.831174 0.500009 Na\n0.831174 0.166705 0.000009 Na\n0.500000 0.500000 0.749995 Na\n0.500000 0.500000 0.249995 Na\n0.000000 0.500000 0.749928 Li\n0.500000 0.000000 0.249928 Li\n0.838413 0.177052 0.750054 Mg\n0.822948 0.161587 0.250054 Mg\n0.177052 0.838413 0.250054 Mg\n0.161587 0.822948 0.750054 Mg\n0.500000 0.000000 0.750330 Mg\n0.000000 0.000000 0.749866 Mg\n0.000000 0.500000 0.250330 Mg\n0.000000 0.000000 0.249866 Mg\n0.853095 0.614743 0.612046 Si\n0.385382 0.735164 0.611210 Si\n0.263479 0.149956 0.611321 Si\n0.849517 0.613459 0.388683 Si\n0.385463 0.738592 0.387884 Si\n0.264575 0.149690 0.388814 Si\n0.735164 0.385382 0.111210 Si\n0.149956 0.263479 0.111321 Si\n0.614743 0.853095 0.112046 Si\n0.738592 0.385463 0.887884 Si\n0.149690 0.264575 0.888814 Si\n0.613459 0.849517 0.888683 Si\n0.150483 0.386541 0.388683 Si\n0.614537 0.261408 0.387884 Si\n0.735425 0.850310 0.388814 Si\n0.146905 0.385257 0.612046 Si\n0.614618 0.264836 0.611210 Si\n0.736521 0.850044 0.611321 Si\n0.261408 0.614537 0.887884 Si\n0.850310 0.735425 0.888814 Si\n0.386541 0.150483 0.888683 Si\n0.264836 0.614618 0.111210 Si\n0.850044 0.736521 0.111321 Si\n0.385257 0.146905 0.112046 Si\n0.897277 0.634577 0.499632 O\n0.365745 0.762863 0.500285 O\n0.236336 0.101084 0.500065 O\n0.762863 0.365745 0.000285 O\n0.101084 0.236336 0.000065 O\n0.634577 0.897277 0.999632 O\n0.102723 0.365423 0.499632 O\n0.634255 0.237137 0.500285 O\n0.763664 0.898916 0.500065 O\n0.237137 0.634255 0.000285 O\n0.898916 0.763664 0.000065 O\n0.365423 0.102723 0.999632 O\n0.000990 0.660179 0.669281 O\n0.345219 0.841530 0.670870 O\n0.158754 0.003494 0.671600 O\n0.996018 0.655510 0.328304 O\n0.340124 0.841003 0.330774 O\n0.157919 0.002984 0.329158 O\n0.841530 0.345219 0.170870 O\n0.003494 0.158754 0.171600 O\n0.660179 0.000990 0.169281 O\n0.841003 0.340124 0.830774 O\n0.002984 0.157919 0.829158 O\n0.655510 0.996018 0.828304 O\n0.003982 0.344490 0.328304 O\n0.659876 0.158997 0.330774 O\n0.842081 0.997016 0.329158 O\n0.999010 0.339821 0.669281 O\n0.654781 0.158470 0.670870 O\n0.841246 0.996506 0.671600 O\n0.158997 0.659876 0.830774 O\n0.997016 0.842081 0.829158 O\n0.344490 0.003982 0.828304 O\n0.158470 0.654781 0.170870 O\n0.996506 0.841246 0.171600 O\n0.339821 0.999010 0.169281 O\n0.772119 0.715089 0.634027 O\n0.283380 0.556220 0.634645 O\n0.442700 0.225492 0.635072 O\n0.774341 0.717659 0.365050 O\n0.285422 0.557240 0.365267 O\n0.443349 0.226621 0.365894 O\n0.556220 0.283380 0.134645 O\n0.225492 0.442700 0.135072 O\n0.715089 0.772119 0.134027 O\n0.557240 0.285422 0.865267 O\n0.226621 0.443349 0.865894 O\n0.717659 0.774341 0.865050 O\n0.225659 0.282341 0.365050 O\n0.714578 0.442760 0.365267 O\n0.556651 0.773379 0.365894 O\n0.227881 0.284911 0.634027 O\n0.716620 0.443780 0.634645 O\n0.557300 0.774508 0.635072 O\n0.442760 0.714578 0.865267 O\n0.773379 0.556651 0.865894 O\n0.282341 0.225659 0.865050 O\n0.443780 0.716620 0.134645 O\n0.774508 0.557300 0.135072 O\n0.284911 0.227881 0.134027 O\n",
"nsites": 100,
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"elements": [
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"formula_full": "Na6 Li2 Mg8 Si24 O60",
"formula_reduced": "Na3LiMg4(Si2O5)6",
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"energy": -764.14527979,
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{
"id": "mp-1202732",
"created_at": "2022-09-04T14:41:08.845131Z",
"structure_string": "Pd4 Rh30 S30\n1.0\n10.069421 0.000000 0.000000\n0.000000 10.069421 0.000000\n0.000000 0.000000 10.069421\nPd Rh S\n4 30 30\ndirect\n0.500000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.142884 0.356232 0.643768 Rh\n0.356232 0.356232 0.857116 Rh\n0.356232 0.142884 0.643768 Rh\n0.142884 0.643768 0.356232 Rh\n0.356232 0.643768 0.142884 Rh\n0.356232 0.857116 0.356232 Rh\n0.857116 0.356232 0.356232 Rh\n0.643768 0.356232 0.142884 Rh\n0.643768 0.142884 0.356232 Rh\n0.857116 0.643768 0.643768 Rh\n0.643768 0.643768 0.857116 Rh\n0.643768 0.857116 0.643768 Rh\n0.857116 0.643768 0.356232 Rh\n0.643768 0.643768 0.142884 Rh\n0.643768 0.857116 0.356232 Rh\n0.857116 0.356232 0.643768 Rh\n0.643768 0.356232 0.857116 Rh\n0.643768 0.142884 0.643768 Rh\n0.142884 0.643768 0.643768 Rh\n0.356232 0.643768 0.857116 Rh\n0.356232 0.857116 0.643768 Rh\n0.142884 0.356232 0.356232 Rh\n0.356232 0.356232 0.142884 Rh\n0.356232 0.142884 0.356232 Rh\n0.237546 0.000000 0.000000 Rh\n0.000000 0.000000 0.762454 Rh\n0.000000 0.237546 0.000000 Rh\n0.000000 0.000000 0.237546 Rh\n0.000000 0.762454 0.000000 Rh\n0.762454 0.000000 0.000000 Rh\n0.500000 0.173109 0.826891 S\n0.173109 0.173109 0.500000 S\n0.173109 0.500000 0.826891 S\n0.500000 0.826891 0.173109 S\n0.173109 0.826891 0.500000 S\n0.173109 0.500000 0.173109 S\n0.500000 0.173109 0.173109 S\n0.826891 0.173109 0.500000 S\n0.826891 0.500000 0.173109 S\n0.500000 0.826891 0.826891 S\n0.826891 0.826891 0.500000 S\n0.826891 0.500000 0.826891 S\n0.000000 0.229362 0.770638 S\n0.229362 0.229362 0.000000 S\n0.229362 0.000000 0.770638 S\n0.000000 0.770638 0.229362 S\n0.229362 0.770638 0.000000 S\n0.229362 0.000000 0.229362 S\n0.000000 0.229362 0.229362 S\n0.770638 0.229362 0.000000 S\n0.770638 0.000000 0.229362 S\n0.000000 0.770638 0.770638 S\n0.770638 0.770638 0.000000 S\n0.770638 0.000000 0.770638 S\n0.258245 0.500000 0.500000 S\n0.500000 0.500000 0.741755 S\n0.500000 0.258245 0.500000 S\n0.500000 0.500000 0.258245 S\n0.500000 0.741755 0.500000 S\n0.741755 0.500000 0.500000 S\n",
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"Rh",
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],
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"density": 7.27794458771336,
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"volume": 1020.9712128161366,
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"formula_full": "Pd4 Rh30 S30",
"formula_reduced": "Pd2(RhS)15",
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"energy": -405.1830723,
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"updated_at": "2021-11-28T01:35:13.695000Z",
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},
{
"id": "mp-1101523",
"created_at": "2022-09-04T14:41:08.851583Z",
"structure_string": "Li2 Cr2 P8 O26\n1.0\n5.127545 0.048925 0.109551\n1.112107 7.765279 1.414342\n-0.257002 -0.271454 13.988421\nLi Cr P O\n2 2 8 26\ndirect\n0.571310 0.430200 0.991629 Li\n0.975666 0.606574 0.507700 Li\n0.545239 0.951759 0.242985 Cr\n0.446512 0.042883 0.753973 Cr\n0.639825 0.412701 0.682717 P\n0.911053 0.194794 0.856252 P\n0.010667 0.101680 0.346331 P\n0.080182 0.810947 0.134907 P\n0.341266 0.590901 0.309691 P\n0.980680 0.882736 0.656858 P\n0.669022 0.337904 0.205099 P\n0.322250 0.657216 0.800340 P\n0.540223 0.718879 0.303890 O\n0.841330 0.965242 0.327186 O\n0.151865 0.020544 0.671316 O\n0.035410 0.732241 0.752998 O\n0.147890 0.640382 0.216565 O\n0.036739 0.801178 0.568270 O\n0.206281 0.123861 0.849613 O\n0.304835 0.031624 0.339929 O\n0.135209 0.765557 0.036006 O\n0.194650 0.564364 0.400198 O\n0.249451 0.943167 0.159338 O\n0.317934 0.520782 0.884824 O\n0.454587 0.277403 0.689332 O\n0.535839 0.186715 0.184596 O\n0.507559 0.411148 0.292964 O\n0.855837 0.356994 0.769174 O\n0.455106 0.810295 0.817750 O\n0.471570 0.585377 0.709714 O\n0.685821 0.469794 0.119336 O\n0.742980 0.058717 0.835762 O\n0.766285 0.460527 0.589442 O\n0.841223 0.254905 0.950703 O\n0.686520 0.959484 0.660502 O\n0.785593 0.878453 0.146890 O\n0.941958 0.164264 0.440617 O\n0.950814 0.261912 0.256175 O\n",
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{
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"structure_string": "Na4 U4 Si2 O16 F4\n1.0\n-3.514239 3.514239 9.288539\n3.514239 -3.514239 9.288539\n3.514239 3.514239 -9.288539\nNa U Si O F\n4 4 2 16 4\ndirect\n0.375000 0.125000 0.250000 Na\n0.875000 0.125000 0.250000 Na\n0.875000 0.125000 0.750000 Na\n0.875000 0.625000 0.750000 Na\n0.673741 0.673741 0.000000 U\n0.076259 0.576259 0.500000 U\n0.423741 0.923741 0.500000 U\n0.326259 0.326259 0.000000 U\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.442457 0.619391 0.176934 O\n0.369391 0.692457 0.676934 O\n0.672695 0.934850 0.262155 O\n0.589460 0.327305 0.262155 O\n0.077305 0.839460 0.762155 O\n0.380609 0.557543 0.823066 O\n0.065150 0.327305 0.737845 O\n0.442457 0.265523 0.823066 O\n0.684850 0.922695 0.762155 O\n0.015523 0.692457 0.323066 O\n0.160540 0.922695 0.237845 O\n0.307543 0.984477 0.676934 O\n0.672695 0.410540 0.737845 O\n0.307543 0.630609 0.323066 O\n0.734477 0.557543 0.176934 O\n0.077305 0.315150 0.237845 O\n0.957276 0.457276 0.500000 F\n0.542724 0.042724 0.500000 F\n0.792724 0.792724 0.000000 F\n0.207276 0.207276 0.000000 F\n",
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{
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{
"id": "mp-1218286",
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"structure_string": "Sr1 La3 Mn2 Cr2 O12\n1.0\n2.766879 1.597451 4.436973\n-5.679324 -3.278918 4.556990\n2.770653 -4.798864 -0.000010\nSr La Mn Cr O\n1 3 2 2 12\ndirect\n0.999999 0.750000 0.494851 Sr\n0.499993 0.250008 0.004059 La\n0.499989 0.750001 0.998235 La\n0.999997 0.250006 0.501618 La\n0.000250 0.501002 0.000066 Mn\n0.999753 0.998990 0.000069 Mn\n0.500176 0.999053 0.499841 Cr\n0.499828 0.500940 0.499838 Cr\n0.999985 0.750066 0.949972 O\n0.500005 0.249990 0.442189 O\n0.000010 0.249940 0.062358 O\n0.499997 0.750003 0.564843 O\n0.277400 0.467069 0.784746 O\n0.722614 0.032932 0.784753 O\n0.780134 0.976975 0.271591 O\n0.219868 0.523019 0.271604 O\n0.781539 0.462222 0.726311 O\n0.218465 0.037776 0.726324 O\n0.283862 0.974950 0.208365 O\n0.716134 0.525055 0.208369 O\n",
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{
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"structure_string": "K1 Au1 F3\n1.0\n4.484400 0.000000 0.000000\n0.000000 4.484400 0.000000\n0.000000 0.000000 4.484400\nK Au F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
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{
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