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{
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{
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{
"id": "mp-7390",
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"structure_string": "Sr1 Ge2\n1.0\n2.084944 -3.611230 0.000000\n2.084944 3.611230 0.000000\n0.000000 0.000000 5.199097\nSr Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.597247 Ge\n0.333333 0.666667 0.402753 Ge\n",
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},
{
"id": "mp-1078776",
"created_at": "2022-09-04T14:46:29.702594Z",
"structure_string": "In2 Bi2 S6\n1.0\n3.935757 0.000000 0.000000\n0.000000 6.670330 0.000000\n0.000000 0.231373 9.941166\nIn Bi S\n2 2 6\ndirect\n0.250000 0.754424 0.997094 In\n0.750000 0.245576 0.002906 In\n0.250000 0.395827 0.349102 Bi\n0.750000 0.604173 0.650898 Bi\n0.750000 0.251241 0.511136 S\n0.250000 0.748759 0.488864 S\n0.250000 0.427814 0.850872 S\n0.750000 0.572186 0.149128 S\n0.250000 0.082079 0.143412 S\n0.750000 0.917921 0.856588 S\n",
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},
{
"id": "mp-1209960",
"created_at": "2022-09-04T14:48:03.293134Z",
"structure_string": "Na2 Y2 Cl8\n1.0\n6.683964 0.000000 0.000000\n1.353699 6.632906 0.000000\n0.269374 0.021816 7.064100\nNa Y Cl\n2 2 8\ndirect\n0.231682 0.197423 0.535451 Na\n0.768318 0.802577 0.464549 Na\n0.788898 0.299466 0.054924 Y\n0.211102 0.700534 0.945076 Y\n0.612275 0.207088 0.365476 Cl\n0.387725 0.792912 0.634524 Cl\n0.095641 0.002102 0.205684 Cl\n0.904359 0.997898 0.794316 Cl\n0.047029 0.503405 0.241253 Cl\n0.952971 0.496595 0.758747 Cl\n0.566816 0.686206 0.118176 Cl\n0.433184 0.313794 0.881824 Cl\n",
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{
"id": "mp-1217233",
"created_at": "2022-09-04T14:45:17.826229Z",
"structure_string": "U2 Sn3 Pb3\n1.0\n4.674514 0.000000 0.000000\n0.000000 4.709321 0.000000\n0.000000 0.000000 9.484390\nU Sn Pb\n2 3 3\ndirect\n0.000000 0.000000 0.245241 U\n0.000000 0.000000 0.754759 U\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.247635 Pb\n0.500000 0.500000 0.752365 Pb\n0.000000 0.500000 0.500000 Pb\n",
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{
"id": "mp-680343",
"created_at": "2022-09-04T14:40:17.327742Z",
"structure_string": "Ta84 Te52\n1.0\n19.571244 -0.000147 0.000936\n-9.785750 16.948983 0.004163\n0.000507 0.002832 10.700234\nTa Te\n84 52\ndirect\n0.287234 0.428243 0.677389 Ta\n0.714550 0.285322 0.718096 Ta\n0.500008 0.000049 0.396825 Ta\n0.712675 0.571662 0.677262 Ta\n0.425231 0.574499 0.552565 Ta\n0.731594 0.731648 0.599455 Ta\n0.852181 0.852209 0.801983 Ta\n0.666625 0.333296 0.491502 Ta\n0.145635 0.854464 0.759515 Ta\n0.291128 0.145606 0.759498 Ta\n0.287302 0.858981 0.677323 Ta\n0.330270 0.917162 0.421424 Ta\n0.854420 0.708827 0.759504 Ta\n0.586880 0.917161 0.421442 Ta\n0.428233 0.140990 0.677338 Ta\n0.500539 0.250296 0.466912 Ta\n0.250351 0.749694 0.466905 Ta\n0.163541 0.836564 0.493739 Ta\n0.330184 0.413122 0.421475 Ta\n0.586814 0.669766 0.421474 Ta\n0.141012 0.428244 0.677363 Ta\n0.850719 0.425255 0.552590 Ta\n0.326891 0.163492 0.493682 Ta\n0.000108 0.499976 0.396823 Ta\n0.574624 0.149307 0.552624 Ta\n0.427934 0.000025 0.637412 Ta\n0.082971 0.413138 0.421420 Ta\n0.836603 0.163501 0.493666 Ta\n0.499340 0.749680 0.466982 Ta\n0.147850 0.000063 0.801942 Ta\n0.731663 0.000080 0.599528 Ta\n0.285367 0.570724 0.718068 Ta\n0.285371 0.714517 0.718066 Ta\n0.000056 0.852226 0.801993 Ta\n0.854486 0.145607 0.759508 Ta\n0.083094 0.166176 0.568543 Ta\n0.916993 0.083119 0.568610 Ta\n0.082989 0.669796 0.421395 Ta\n0.712734 0.140993 0.677358 Ta\n0.413129 0.082938 0.421456 Ta\n0.145591 0.291143 0.759511 Ta\n0.749677 0.499363 0.467017 Ta\n0.000096 0.000144 0.677336 Ta\n0.708806 0.854433 0.759506 Ta\n0.572061 0.000025 0.637400 Ta\n0.000082 0.268372 0.599629 Ta\n0.413061 0.330239 0.421513 Ta\n0.571967 0.572009 0.637361 Ta\n0.083113 0.916992 0.568720 Ta\n0.149268 0.574523 0.552580 Ta\n0.000063 0.427906 0.637442 Ta\n0.428206 0.287243 0.677379 Ta\n0.268250 0.268309 0.599668 Ta\n0.425355 0.850758 0.552563 Ta\n0.163478 0.326919 0.493666 Ta\n0.852227 0.000069 0.801950 Ta\n0.250298 0.500572 0.466852 Ta\n0.917196 0.586893 0.421454 Ta\n0.268390 0.000052 0.599550 Ta\n0.574512 0.425228 0.552588 Ta\n0.499866 0.499939 0.396841 Ta\n0.000064 0.572042 0.637360 Ta\n0.833877 0.916986 0.568752 Ta\n0.669806 0.082947 0.421442 Ta\n0.859042 0.287264 0.677377 Ta\n0.916968 0.833904 0.568792 Ta\n0.571651 0.858966 0.677263 Ta\n0.836523 0.673035 0.493809 Ta\n0.000105 0.731634 0.599443 Ta\n0.917198 0.330260 0.421458 Ta\n0.000052 0.147846 0.801908 Ta\n0.147820 0.147851 0.801889 Ta\n0.429113 0.714495 0.718041 Ta\n0.570731 0.285338 0.718084 Ta\n0.333311 0.666621 0.491577 Ta\n0.166155 0.083120 0.568580 Ta\n0.858995 0.571670 0.677242 Ta\n0.571625 0.712683 0.677261 Ta\n0.669714 0.586876 0.421499 Ta\n0.427850 0.427893 0.637453 Ta\n0.749729 0.250306 0.466888 Ta\n0.673009 0.836536 0.493812 Ta\n0.714518 0.429103 0.718067 Ta\n0.141051 0.712696 0.677294 Ta\n0.999961 0.328204 0.840506 Te\n0.205393 0.602771 0.307197 Te\n0.220351 0.440698 0.908617 Te\n0.671809 0.999914 0.840468 Te\n0.801587 0.603101 0.254843 Te\n0.396975 0.198500 0.254788 Te\n0.111339 0.888586 0.000743 Te\n0.999950 0.671886 0.840460 Te\n0.557676 0.442440 0.809817 Te\n0.198491 0.397005 0.254773 Te\n0.328129 0.999914 0.840476 Te\n0.801422 0.801417 0.369623 Te\n0.999970 0.801400 0.369631 Te\n0.440706 0.220334 0.908600 Te\n0.999992 0.198632 0.369618 Te\n0.794711 0.397425 0.307188 Te\n0.220323 0.779591 0.908613 Te\n0.397328 0.794641 0.307208 Te\n0.000053 0.400790 0.196698 Te\n0.400729 0.400773 0.196827 Te\n0.400736 0.000016 0.196743 Te\n0.801575 0.198523 0.254780 Te\n0.328279 0.328265 0.840450 Te\n0.671903 0.671887 0.840390 Te\n0.666645 0.333315 0.939080 Te\n0.603054 0.801585 0.254845 Te\n0.333319 0.666636 0.939001 Te\n0.888596 0.777213 0.000737 Te\n0.599308 0.599351 0.196877 Te\n0.198515 0.801571 0.254800 Te\n0.559252 0.779576 0.908577 Te\n0.442428 0.557691 0.809830 Te\n0.397374 0.602765 0.307193 Te\n0.999930 0.999897 0.422289 Te\n0.801374 0.999947 0.369634 Te\n0.602671 0.205318 0.307181 Te\n0.999955 0.999917 0.933926 Te\n0.779596 0.559249 0.908564 Te\n0.779602 0.220309 0.908615 Te\n0.000082 0.599355 0.196751 Te\n0.602723 0.397452 0.307166 Te\n0.884702 0.442394 0.809840 Te\n0.599314 0.000041 0.196748 Te\n0.222666 0.111305 0.000739 Te\n0.777235 0.888588 0.000706 Te\n0.557643 0.115281 0.809873 Te\n0.115328 0.557686 0.809889 Te\n0.198590 0.999968 0.369624 Te\n0.888607 0.111314 0.000768 Te\n0.442343 0.884655 0.809867 Te\n0.111319 0.222652 0.000741 Te\n0.198640 0.198632 0.369608 Te\n",
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{
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{
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{
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"updated_at": "2021-11-28T01:35:19.585000Z",
"spacegroup": 12
},
{
"id": "mp-8686",
"created_at": "2022-09-04T14:40:31.883032Z",
"structure_string": "Na12 As4 Se12\n1.0\n9.007270 0.000000 0.000000\n0.000000 9.007270 0.000000\n0.000000 0.000000 9.007270\nNa As Se\n12 4 12\ndirect\n0.821250 0.178750 0.678750 Na\n0.678750 0.821250 0.178750 Na\n0.178750 0.678750 0.821250 Na\n0.321250 0.321250 0.321250 Na\n0.186649 0.313351 0.686649 Na\n0.313351 0.686649 0.186649 Na\n0.686649 0.186649 0.313351 Na\n0.813351 0.813351 0.813351 Na\n0.413683 0.086317 0.913683 Na\n0.086317 0.913683 0.413683 Na\n0.913683 0.413683 0.086317 Na\n0.586317 0.586317 0.586317 Na\n0.028725 0.028725 0.028725 As\n0.471275 0.971275 0.528725 As\n0.971275 0.528725 0.471275 As\n0.528725 0.471275 0.971275 As\n0.272447 0.389589 0.999720 Se\n0.772447 0.110411 0.000280 Se\n0.727553 0.889589 0.500280 Se\n0.110411 0.000280 0.772447 Se\n0.500280 0.727553 0.889589 Se\n0.000280 0.772447 0.110411 Se\n0.389589 0.999720 0.272447 Se\n0.999720 0.272447 0.389589 Se\n0.889589 0.500280 0.727553 Se\n0.610411 0.499720 0.227553 Se\n0.499720 0.227553 0.610411 Se\n0.227553 0.610411 0.499720 Se\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "As-Na-Se",
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"formula_full": "Na12 As4 Se12",
"formula_reduced": "Na3AsSe3",
"formula_anonymous": "AB3C3",
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"updated_at": "2021-11-28T01:34:54.429000Z",
"spacegroup": 198
},
{
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"created_at": "2022-09-04T14:40:05.248946Z",
"structure_string": "Y10 Ru4\n1.0\n0.000000 6.358566 0.000000\n0.003810 0.000000 7.313973\n7.856221 -3.179283 -0.983271\nY Ru\n10 4\ndirect\n0.978558 0.915374 0.187075 Y\n0.791483 0.584626 0.812925 Y\n0.021442 0.084626 0.812925 Y\n0.208517 0.415374 0.187075 Y\n0.641082 0.814841 0.434843 Y\n0.206239 0.685159 0.565157 Y\n0.358918 0.185159 0.565157 Y\n0.793761 0.314841 0.434843 Y\n0.420339 0.750000 0.000000 Y\n0.579661 0.250000 0.000000 Y\n0.822734 0.575938 0.219812 Ru\n0.602922 0.924062 0.780188 Ru\n0.177266 0.424062 0.780188 Ru\n0.397078 0.075938 0.219812 Ru\n",
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"elements": [
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],
"chemical_system": "Ru-Y",
"density": 5.877691139951522,
"density_atomic": 0.03831541144190417,
"volume": 365.3882203830052,
"volume_molar": 15.717280679945416,
"formula_full": "Y10 Ru4",
"formula_reduced": "Y5Ru2",
"formula_anonymous": "A2B5",
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"band_gap": 0.0,
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"total_magnetization": 0.0017349,
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"updated_at": "2021-11-28T01:34:48.322000Z",
"spacegroup": 15
}
]
}