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{
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{
"id": "mp-1200745",
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{
"id": "mp-759942",
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"structure_string": "Li8 Fe4 Si4 O16\n1.0\n11.037342 0.000000 0.000000\n0.000000 5.132302 0.000000\n0.000000 0.142166 6.230758\nLi Fe Si O\n8 4 4 16\ndirect\n0.656690 0.942112 0.251721 Li\n0.926843 0.048157 0.989028 Li\n0.426843 0.951843 0.010972 Li\n0.156690 0.057888 0.748279 Li\n0.569893 0.546305 0.498467 Li\n0.339407 0.558315 0.256792 Li\n0.839407 0.441685 0.743208 Li\n0.069893 0.453695 0.501533 Li\n0.330846 0.551053 0.756429 Fe\n0.830846 0.448947 0.243571 Fe\n0.166738 0.051344 0.246912 Fe\n0.666738 0.948656 0.753088 Fe\n0.409145 0.056071 0.506692 Si\n0.909145 0.943929 0.493308 Si\n0.087388 0.557294 0.997090 Si\n0.587388 0.442706 0.002910 Si\n0.584172 0.119967 0.004759 O\n0.832823 0.040451 0.276576 O\n0.840551 0.045401 0.713200 O\n0.547845 0.938231 0.506369 O\n0.047845 0.061769 0.493631 O\n0.340551 0.954599 0.286800 O\n0.332823 0.959549 0.723424 O\n0.084172 0.880033 0.995241 O\n0.912255 0.621361 0.496920 O\n0.664124 0.539090 0.785583 O\n0.448709 0.560137 0.002761 O\n0.155779 0.455706 0.777125 O\n0.655779 0.544294 0.222875 O\n0.948709 0.439863 0.997239 O\n0.164124 0.460910 0.214417 O\n0.412255 0.378639 0.503080 O\n",
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"formula_full": "Li8 Fe4 Si4 O16",
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{
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{
"id": "mp-1811207",
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"structure_string": "Ca2 Ti4 S8\n1.0\n6.658197 0.002739 -3.606692\n-1.767543 6.487385 -3.482737\n-0.423347 -0.406986 7.537740\nCa Ti S\n2 4 8\ndirect\n0.000000 0.500001 0.000001 Ca\n0.000001 0.000000 0.500000 Ca\n0.375330 0.625330 0.750000 Ti\n0.624670 0.374671 0.250000 Ti\n0.500001 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.741890 0.760081 0.518606 S\n0.741476 0.223286 0.981396 S\n0.250940 0.232748 0.017807 S\n0.258110 0.239919 0.481395 S\n0.285059 0.766867 0.517806 S\n0.258524 0.776715 0.018606 S\n0.714940 0.233132 0.482193 S\n0.749060 0.767253 0.982193 S\n",
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"formula_full": "Ca2 Ti4 S8",
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{
"id": "mp-1202061",
"created_at": "2022-09-04T14:45:08.781018Z",
"structure_string": "K38 Na12 Tl48 Au2\n1.0\n9.813979 -16.998311 0.000000\n9.813979 16.998311 0.000000\n0.000000 0.000000 11.705341\nK Na Tl Au\n38 12 48 2\ndirect\n0.878521 0.536482 0.500000 K\n0.463518 0.342039 0.500000 K\n0.657961 0.121479 0.500000 K\n0.121479 0.657961 0.500000 K\n0.536482 0.878521 0.500000 K\n0.342039 0.463518 0.500000 K\n0.000000 0.776203 0.500000 K\n0.223797 0.223797 0.500000 K\n0.776203 0.000000 0.500000 K\n0.000000 0.195727 0.000000 K\n0.804273 0.804273 0.000000 K\n0.195727 0.000000 0.000000 K\n0.000000 0.127769 0.678996 K\n0.872231 0.872231 0.678996 K\n0.127769 0.000000 0.678996 K\n0.000000 0.127769 0.321004 K\n0.872231 0.872231 0.321004 K\n0.127769 0.000000 0.321004 K\n0.653121 0.188399 0.821610 K\n0.811601 0.464721 0.821610 K\n0.535279 0.346879 0.821610 K\n0.653121 0.188399 0.178390 K\n0.811601 0.464721 0.178390 K\n0.535279 0.346879 0.178390 K\n0.346879 0.535279 0.821610 K\n0.188399 0.653121 0.821610 K\n0.464721 0.811601 0.821610 K\n0.346879 0.535279 0.178390 K\n0.188399 0.653121 0.178390 K\n0.464721 0.811601 0.178390 K\n0.333333 0.666667 0.500000 K\n0.666667 0.333333 0.500000 K\n0.881466 0.328674 0.000000 K\n0.671326 0.552792 0.000000 K\n0.447208 0.118534 0.000000 K\n0.118534 0.447208 0.000000 K\n0.328674 0.881466 0.000000 K\n0.552792 0.671326 0.000000 K\n0.830586 0.159296 0.748724 Na\n0.840704 0.671290 0.748724 Na\n0.328710 0.169414 0.748724 Na\n0.830586 0.159296 0.251276 Na\n0.840704 0.671290 0.251276 Na\n0.328710 0.169414 0.251276 Na\n0.169414 0.328710 0.748724 Na\n0.159296 0.830586 0.748724 Na\n0.671290 0.840704 0.748724 Na\n0.169414 0.328710 0.251276 Na\n0.159296 0.830586 0.251276 Na\n0.671290 0.840704 0.251276 Na\n0.903105 0.219020 0.500000 Tl\n0.780980 0.684084 0.500000 Tl\n0.315916 0.096895 0.500000 Tl\n0.096895 0.315916 0.500000 Tl\n0.219020 0.903105 0.500000 Tl\n0.684084 0.780980 0.500000 Tl\n0.000000 0.428454 0.500000 Tl\n0.571546 0.571546 0.500000 Tl\n0.428454 0.000000 0.500000 Tl\n0.000000 0.325103 0.734820 Tl\n0.674897 0.674897 0.734820 Tl\n0.325103 0.000000 0.734820 Tl\n0.000000 0.325103 0.265180 Tl\n0.674897 0.674897 0.265180 Tl\n0.325103 0.000000 0.265180 Tl\n0.837517 0.323187 0.641695 Tl\n0.676813 0.514330 0.641695 Tl\n0.485670 0.162483 0.641695 Tl\n0.837517 0.323187 0.358305 Tl\n0.676813 0.514330 0.358305 Tl\n0.485670 0.162483 0.358305 Tl\n0.162483 0.485670 0.641695 Tl\n0.323187 0.837517 0.641695 Tl\n0.514330 0.676813 0.641695 Tl\n0.162483 0.485670 0.358305 Tl\n0.323187 0.837517 0.358305 Tl\n0.514330 0.676813 0.358305 Tl\n0.000000 0.829080 0.863754 Tl\n0.170920 0.170920 0.863754 Tl\n0.829080 0.000000 0.863754 Tl\n0.000000 0.829080 0.136246 Tl\n0.170920 0.170920 0.136246 Tl\n0.829080 0.000000 0.136246 Tl\n0.000000 0.655660 0.769684 Tl\n0.344340 0.344340 0.769684 Tl\n0.655660 0.000000 0.769684 Tl\n0.000000 0.655660 0.230316 Tl\n0.344340 0.344340 0.230316 Tl\n0.655660 0.000000 0.230316 Tl\n0.753660 0.097458 0.000000 Tl\n0.902542 0.656203 0.000000 Tl\n0.343797 0.246340 0.000000 Tl\n0.246340 0.343797 0.000000 Tl\n0.097458 0.753660 0.000000 Tl\n0.656203 0.902542 0.000000 Tl\n0.000000 0.557658 0.000000 Tl\n0.442342 0.442342 0.000000 Tl\n0.557658 0.000000 0.000000 Tl\n0.333333 0.666667 0.000000 Au\n0.666667 0.333333 0.000000 Au\n",
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{
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{
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{
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"structure_string": "Rb2 Ho4 Cu6 S10\n1.0\n1.971546 -6.963894 0.000000\n1.971546 6.963894 0.000000\n0.000000 0.000000 16.495858\nRb Ho Cu S\n2 4 6 10\ndirect\n0.565547 0.434453 0.750000 Rb\n0.434453 0.565547 0.250000 Rb\n0.308015 0.691985 0.592728 Ho\n0.691985 0.308015 0.407272 Ho\n0.308015 0.691985 0.907272 Ho\n0.691985 0.308015 0.092728 Ho\n0.084106 0.915894 0.963678 Cu\n0.915894 0.084106 0.036322 Cu\n0.915894 0.084106 0.463678 Cu\n0.844853 0.155147 0.750000 Cu\n0.155147 0.844853 0.250000 Cu\n0.084106 0.915894 0.536322 Cu\n0.667732 0.332268 0.569490 S\n0.332268 0.667732 0.430510 S\n0.332268 0.667732 0.069490 S\n0.667732 0.332268 0.930510 S\n0.737781 0.262219 0.250000 S\n0.262219 0.737781 0.750000 S\n0.061414 0.938586 0.113108 S\n0.061414 0.938586 0.386892 S\n0.938586 0.061414 0.886892 S\n0.938586 0.061414 0.613108 S\n",
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},
{
"id": "mp-1220951",
"created_at": "2022-09-04T14:46:30.500571Z",
"structure_string": "Na8 Ti8 P8 O40\n1.0\n10.674053 0.000000 0.000000\n0.000000 8.815782 0.000000\n0.000000 0.003606 9.251723\nNa Ti P O\n8 8 8 40\ndirect\n0.000019 0.250033 0.143325 Na\n0.500019 0.749967 0.856675 Na\n0.048331 0.767905 0.490379 Na\n0.548331 0.232095 0.509621 Na\n0.853827 0.022893 0.798830 Na\n0.146693 0.475684 0.799240 Na\n0.646693 0.524316 0.200760 Na\n0.353827 0.977107 0.201170 Na\n0.380287 0.122022 0.851623 Ti\n0.620230 0.378472 0.852221 Ti\n0.120230 0.621528 0.147779 Ti\n0.880287 0.877978 0.148377 Ti\n0.113971 0.115369 0.638821 Ti\n0.885443 0.390398 0.636124 Ti\n0.385443 0.609602 0.363876 Ti\n0.613971 0.884631 0.361179 Ti\n0.124632 0.924263 0.943038 P\n0.875506 0.575687 0.943577 P\n0.375506 0.424313 0.056423 P\n0.624632 0.075737 0.056962 P\n0.359391 0.911545 0.559444 P\n0.640691 0.588955 0.560099 P\n0.140691 0.411045 0.439901 P\n0.859391 0.088455 0.440556 P\n0.084962 0.947269 0.782793 O\n0.915377 0.551872 0.783655 O\n0.415377 0.448128 0.216345 O\n0.584962 0.052731 0.217207 O\n0.253950 0.994071 0.975516 O\n0.746073 0.505804 0.975644 O\n0.246073 0.494196 0.024356 O\n0.753950 0.005929 0.024484 O\n0.248137 0.191689 0.741272 O\n0.751265 0.309301 0.738858 O\n0.251265 0.690699 0.261142 O\n0.748137 0.808311 0.258728 O\n0.398329 0.942138 0.718937 O\n0.601445 0.558445 0.719469 O\n0.101445 0.441555 0.280531 O\n0.898329 0.057862 0.281063 O\n0.999856 0.250684 0.718511 O\n0.499856 0.749316 0.281489 O\n0.500973 0.249501 0.771242 O\n0.000973 0.750499 0.228758 O\n0.451081 0.995430 0.455942 O\n0.550180 0.503496 0.455579 O\n0.050180 0.496504 0.544421 O\n0.951081 0.004570 0.544058 O\n0.222867 0.960055 0.528967 O\n0.775553 0.535915 0.529785 O\n0.275553 0.464085 0.470215 O\n0.722867 0.039945 0.471033 O\n0.365872 0.737163 0.536207 O\n0.633836 0.762636 0.536348 O\n0.133836 0.237364 0.463652 O\n0.865872 0.262837 0.463793 O\n0.135374 0.751578 0.973894 O\n0.864687 0.748217 0.974264 O\n0.364687 0.251783 0.025736 O\n0.635374 0.248422 0.026106 O\n0.021639 0.999340 0.038602 O\n0.978419 0.500544 0.039130 O\n0.478419 0.499456 0.960870 O\n0.521639 0.000660 0.961398 O\n",
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"formula_full": "Na8 Ti8 P8 O40",
"formula_reduced": "NaTiPO5",
"formula_anonymous": "ABCD5",
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"total_magnetization": 1.96e-05,
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"updated_at": "2021-11-28T01:37:31.921000Z",
"spacegroup": 4
},
{
"id": "mp-753980",
"created_at": "2022-09-04T14:46:30.509599Z",
"structure_string": "Li4 Mn2 Te1 W1 O12\n1.0\n5.323987 -0.036325 -0.025478\n5.856556 8.894340 -0.051299\n5.856240 6.011923 4.134470\nLi Mn Te W O\n4 2 1 1 12\ndirect\n0.290593 0.005901 0.278851 Li\n0.281067 0.494403 0.292874 Li\n0.782483 0.998262 0.789090 Li\n0.788358 0.501249 0.782799 Li\n0.500491 0.000686 0.500999 Mn\n0.502850 0.499129 0.501476 Mn\n0.000468 0.501357 0.999328 Te\n0.001887 0.998936 0.002215 W\n0.377125 0.303020 0.119856 O\n0.240880 0.114935 0.630734 O\n0.132589 0.315511 0.734040 O\n0.872784 0.198703 0.226602 O\n0.367032 0.802774 0.132878 O\n0.729473 0.370762 0.378325 O\n0.231478 0.628001 0.620601 O\n0.631293 0.187065 0.862111 O\n0.120119 0.823117 0.732799 O\n0.863669 0.691943 0.244563 O\n0.735829 0.883617 0.365927 O\n0.620733 0.680628 0.875135 O\n",
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],
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{
"id": "mp-1206873",
"created_at": "2022-09-04T14:46:30.512934Z",
"structure_string": "Cs2 Na1 Tb1 F6\n1.0\n-4.597336 -4.597336 0.000000\n-4.597336 0.000000 -4.597336\n0.000000 -4.597336 -4.597336\nCs Na Tb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tb\n0.759758 0.759758 0.240242 F\n0.240242 0.240242 0.759758 F\n0.759758 0.240242 0.759758 F\n0.240242 0.759758 0.240242 F\n0.240242 0.759758 0.759758 F\n0.759758 0.240242 0.240242 F\n",
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],
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"formula_full": "Cs2 Na1 Tb1 F6",
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]
}