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{
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"results": [
{
"id": "mp-754419",
"created_at": "2022-09-04T14:43:00.565750Z",
"structure_string": "Li4 Mn4 Sn2 O12\n1.0\n5.280583 0.176122 0.000010\n-2.501415 4.653858 -0.000013\n0.000021 -0.000017 10.334087\nLi Mn Sn O\n4 4 2 12\ndirect\n0.109708 0.609703 0.750000 Li\n0.390296 0.890293 0.250003 Li\n0.609712 0.109705 0.750000 Li\n0.890297 0.390297 0.249997 Li\n0.337000 0.663013 0.000002 Mn\n0.836993 0.163007 0.499988 Mn\n0.162993 0.836986 0.500002 Mn\n0.662994 0.336991 0.000008 Mn\n0.999993 0.999998 0.000000 Sn\n0.500006 0.500000 0.499999 Sn\n0.160396 0.160401 0.591629 O\n0.339597 0.339603 0.091618 O\n0.660399 0.660398 0.908372 O\n0.839601 0.839594 0.408383 O\n0.052769 0.693343 0.112049 O\n0.947232 0.306656 0.887937 O\n0.193344 0.552767 0.387948 O\n0.447232 0.806659 0.612066 O\n0.306663 0.947236 0.887939 O\n0.552769 0.193346 0.387949 O\n0.806663 0.447237 0.612060 O\n0.693343 0.052765 0.112054 O\n",
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"formula_full": "Li4 Mn4 Sn2 O12",
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{
"id": "mp-1245026",
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"structure_string": "Si34 O68\n1.0\n11.405566 -0.564138 -0.163627\n-0.572236 11.581643 -0.528274\n-0.141978 -0.513683 12.368557\nSi O\n34 68\ndirect\n0.719736 0.251936 0.441349 Si\n0.544102 0.353737 0.035527 Si\n0.924448 0.834840 0.712625 Si\n0.159388 0.718045 0.668890 Si\n0.329551 0.290135 0.074389 Si\n0.971611 0.704350 0.331363 Si\n0.070878 0.204222 0.011105 Si\n0.331337 0.413013 0.688420 Si\n0.707836 0.405179 0.241864 Si\n0.975595 0.113489 0.197881 Si\n0.717499 0.644792 0.710152 Si\n0.207586 0.823536 0.323826 Si\n0.667958 0.426604 0.815288 Si\n0.926782 0.154734 0.509446 Si\n0.696289 0.972583 0.998165 Si\n0.584975 0.861564 0.175940 Si\n0.148754 0.320262 0.495010 Si\n0.421154 0.991518 0.326747 Si\n0.473885 0.838582 0.954788 Si\n0.715295 0.672540 0.294448 Si\n0.543932 0.070890 0.536320 Si\n0.436968 0.469540 0.484650 Si\n0.334480 0.250536 0.329219 Si\n0.011373 0.949921 0.379049 Si\n0.470631 0.228555 0.733743 Si\n0.340252 0.703953 0.501783 Si\n0.774542 0.020293 0.657732 Si\n0.286959 0.632022 0.862604 Si\n0.031671 0.524141 0.503634 Si\n0.596188 0.682791 0.507711 Si\n0.493624 0.092763 0.943608 Si\n0.812463 0.430643 0.631437 Si\n0.924398 0.296583 0.168870 Si\n0.902446 0.035103 0.868541 Si\n0.638563 0.006232 0.607742 O\n0.151620 0.937518 0.382064 O\n0.388683 0.125139 0.313864 O\n0.790405 0.057329 0.788814 O\n0.441713 0.422318 0.604464 O\n0.038655 0.245064 0.542171 O\n0.584291 0.325217 0.745584 O\n0.101201 0.427439 0.434829 O\n0.844580 0.133355 0.611357 O\n0.219759 0.241656 0.405938 O\n0.248358 0.583306 0.969881 O\n0.630060 0.092920 0.985604 O\n0.419213 0.362586 0.387199 O\n0.851907 0.161989 0.149799 O\n0.757274 0.551554 0.616151 O\n0.219155 0.370673 0.606691 O\n0.799112 0.408379 0.762685 O\n0.484166 0.811525 0.082952 O\n0.654619 0.566077 0.803926 O\n0.282956 0.764095 0.610609 O\n0.469351 0.151874 0.617719 O\n0.335657 0.560876 0.485605 O\n0.834292 0.729563 0.756374 O\n0.307787 0.276503 0.201050 O\n0.017388 0.248403 0.258051 O\n0.065491 0.100402 0.095637 O\n0.118975 0.600163 0.591342 O\n0.448525 0.984857 0.457740 O\n0.093072 0.738785 0.264493 O\n0.939717 0.451214 0.578656 O\n0.001738 0.315832 0.059515 O\n0.669565 0.534977 0.264555 O\n0.844581 0.400968 0.202202 O\n0.694391 0.934037 0.121053 O\n0.479468 0.135717 0.824695 O\n0.734326 0.328077 0.557631 O\n0.840614 0.901746 0.631912 O\n0.044367 0.794337 0.658835 O\n0.970676 0.929597 0.813715 O\n0.944776 0.824960 0.400216 O\n0.404214 0.738421 0.875160 O\n0.835006 0.990719 0.973883 O\n0.417979 0.969553 0.956277 O\n0.452147 0.212706 0.023568 O\n0.635252 0.751833 0.228151 O\n0.701070 0.715543 0.423636 O\n0.479184 0.751341 0.490917 O\n0.212854 0.248810 0.999194 O\n0.630029 0.398487 0.942111 O\n0.629271 0.713419 0.638264 O\n0.001762 0.146557 0.898934 O\n0.852086 0.676550 0.254910 O\n0.977773 0.602040 0.413539 O\n0.326343 0.531449 0.763635 O\n0.261699 0.736909 0.401066 O\n0.538508 0.958686 0.263747 O\n0.417618 0.408362 0.054740 O\n0.969729 0.001214 0.265647 O\n0.562219 0.544114 0.471006 O\n0.355464 0.298867 0.755029 O\n0.188036 0.699338 0.793108 O\n0.842177 0.194502 0.413587 O\n0.620248 0.341763 0.143144 O\n0.981087 0.034698 0.478857 O\n0.319799 0.892253 0.268395 O\n0.613362 0.871591 0.919560 O\n0.614101 0.150497 0.451358 O\n0.688896 0.331135 0.345190 O\n",
"nsites": 102,
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"elements": [
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"volume": 1626.379569439319,
"volume_molar": 9.602241859168405,
"formula_full": "Si34 O68",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 1
},
{
"id": "mp-1185323",
"created_at": "2022-09-04T14:43:00.669808Z",
"structure_string": "Li1 Hf1 Au2\n1.0\n0.000000 3.292303 3.292303\n3.292303 0.000000 3.292303\n3.292303 3.292303 0.000000\nLi Hf Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Hf\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"density": 13.479423488970342,
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"volume": 71.372250135419,
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"formula_full": "Li1 Hf1 Au2",
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{
"id": "mp-766600",
"created_at": "2022-09-04T14:43:00.738842Z",
"structure_string": "Li32 Ti8 S32\n1.0\n11.027140 0.000000 0.000000\n0.000000 11.027140 0.000000\n0.000000 0.000000 11.027140\nLi Ti S\n32 8 32\ndirect\n0.081577 0.150414 0.659525 Li\n0.081577 0.849586 0.340475 Li\n0.150414 0.340475 0.918423 Li\n0.150414 0.659525 0.081577 Li\n0.159525 0.349586 0.418423 Li\n0.161995 0.838005 0.838005 Li\n0.161995 0.161995 0.161995 Li\n0.159525 0.650414 0.581577 Li\n0.340475 0.081577 0.849586 Li\n0.338005 0.338005 0.661995 Li\n0.338005 0.661995 0.338005 Li\n0.340475 0.918423 0.150414 Li\n0.349586 0.418423 0.159525 Li\n0.349586 0.581577 0.840475 Li\n0.418423 0.159525 0.349586 Li\n0.418423 0.840475 0.650414 Li\n0.581577 0.159525 0.650414 Li\n0.581577 0.840475 0.349586 Li\n0.650414 0.418423 0.840475 Li\n0.650414 0.581577 0.159525 Li\n0.659525 0.081577 0.150414 Li\n0.661995 0.338005 0.338005 Li\n0.661995 0.661995 0.661995 Li\n0.659525 0.918423 0.849586 Li\n0.838005 0.161995 0.838005 Li\n0.840475 0.349586 0.581577 Li\n0.840475 0.650414 0.418423 Li\n0.838005 0.838005 0.161995 Li\n0.849586 0.340475 0.081577 Li\n0.849586 0.659525 0.918423 Li\n0.918423 0.150414 0.340475 Li\n0.918423 0.849586 0.659525 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n0.115526 0.376810 0.635456 S\n0.115526 0.623190 0.364544 S\n0.118013 0.118013 0.881987 S\n0.118013 0.881987 0.118013 S\n0.123190 0.384474 0.135456 S\n0.123190 0.615526 0.864544 S\n0.135456 0.123190 0.384474 S\n0.135456 0.876810 0.615526 S\n0.364544 0.115526 0.623190 S\n0.364544 0.884474 0.376810 S\n0.376810 0.364544 0.884474 S\n0.376810 0.635456 0.115526 S\n0.381987 0.381987 0.381987 S\n0.381987 0.618013 0.618013 S\n0.384474 0.135456 0.123190 S\n0.384474 0.864544 0.876810 S\n0.615526 0.135456 0.876810 S\n0.615526 0.864544 0.123190 S\n0.618013 0.381987 0.618013 S\n0.618013 0.618013 0.381987 S\n0.623190 0.364544 0.115526 S\n0.623190 0.635456 0.884474 S\n0.635456 0.115526 0.376810 S\n0.635456 0.884474 0.623190 S\n0.864544 0.123190 0.615526 S\n0.864544 0.876810 0.384474 S\n0.876810 0.384474 0.864544 S\n0.876810 0.615526 0.135456 S\n0.881987 0.118013 0.118013 S\n0.881987 0.881987 0.881987 S\n0.884474 0.376810 0.364544 S\n0.884474 0.623190 0.635456 S\n",
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"formula_full": "Li32 Ti8 S32",
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"spacegroup": 218
},
{
"id": "mp-1369997",
"created_at": "2022-09-04T14:43:00.778288Z",
"structure_string": "Zn2 W4 O10\n1.0\n4.000920 0.000000 0.000000\n0.000000 6.668236 0.000000\n0.000000 0.000000 11.722855\nZn W O\n2 4 10\ndirect\n0.500000 0.610614 0.000000 Zn\n0.000000 0.389386 0.500000 Zn\n0.000000 0.116553 0.840010 W\n0.500000 0.883447 0.659990 W\n0.500000 0.883447 0.340010 W\n0.000000 0.116553 0.159990 W\n0.500000 0.961851 0.500000 O\n0.000000 0.038149 0.000000 O\n0.500000 0.036654 0.816229 O\n0.000000 0.963346 0.683771 O\n0.500000 0.036654 0.183771 O\n0.000000 0.963346 0.316229 O\n0.000000 0.376047 0.176077 O\n0.500000 0.623953 0.323923 O\n0.500000 0.623953 0.676077 O\n0.000000 0.376047 0.823923 O\n",
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],
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"volume": 312.75497203775507,
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"formula_full": "Zn2 W4 O10",
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"energy": -127.81642562,
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{
"id": "mp-770679",
"created_at": "2022-09-04T14:43:00.781873Z",
"structure_string": "Li15 Cr3 P6 O24 F6\n1.0\n5.028595 -8.709782 0.000000\n5.028595 8.709782 0.000000\n0.000000 0.000000 6.505130\nLi Cr P O F\n15 3 6 24 6\ndirect\n0.834229 0.167682 0.503499 Li\n0.000000 0.000000 0.546971 Li\n0.000000 0.000000 0.966282 Li\n0.666667 0.333333 0.463038 Li\n0.666667 0.333333 0.044528 Li\n0.832318 0.666547 0.503499 Li\n0.333453 0.165771 0.503499 Li\n0.134287 0.816181 0.741428 Li\n0.990271 0.473264 0.267812 Li\n0.482993 0.009729 0.267812 Li\n0.333333 0.666667 0.967047 Li\n0.333333 0.666667 0.486588 Li\n0.183819 0.318106 0.741428 Li\n0.681894 0.865713 0.741428 Li\n0.526736 0.517007 0.267812 Li\n0.834386 0.167248 0.005068 Cr\n0.832752 0.667138 0.005068 Cr\n0.332862 0.165614 0.005068 Cr\n0.703425 0.857759 0.265355 P\n0.154334 0.296575 0.265355 P\n0.964135 0.477711 0.745368 P\n0.142241 0.845666 0.265355 P\n0.513575 0.035865 0.745368 P\n0.522289 0.486425 0.745368 P\n0.682523 0.067431 0.769680 O\n0.787665 0.959908 0.073678 O\n0.785149 0.945906 0.462504 O\n0.987175 0.268607 0.239502 O\n0.731393 0.718567 0.239502 O\n0.160757 0.214851 0.462504 O\n0.172243 0.212335 0.073678 O\n0.932569 0.615092 0.769680 O\n0.040092 0.827757 0.073678 O\n0.054094 0.839243 0.462504 O\n0.885216 0.389905 0.547153 O\n0.880213 0.374571 0.935944 O\n0.281433 0.012825 0.239502 O\n0.384908 0.317477 0.769680 O\n0.196209 0.727179 0.265384 O\n0.137507 0.535003 0.748560 O\n0.494358 0.119787 0.935944 O\n0.504689 0.114784 0.547153 O\n0.397496 0.862493 0.748560 O\n0.272821 0.469030 0.265384 O\n0.530970 0.803791 0.265384 O\n0.464997 0.602504 0.748560 O\n0.610095 0.495311 0.547153 O\n0.625429 0.505642 0.935944 O\n0.698745 0.175634 0.220929 F\n0.969453 0.158113 0.788889 F\n0.841887 0.811340 0.788889 F\n0.824366 0.523111 0.220929 F\n0.188660 0.030547 0.788889 F\n0.476889 0.301255 0.220929 F\n",
"nsites": 54,
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"volume": 569.8229279451492,
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"formula_full": "Li15 Cr3 P6 O24 F6",
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},
{
"id": "mp-675769",
"created_at": "2022-09-04T14:43:00.784877Z",
"structure_string": "Ce1 Mo6 Se8\n1.0\n4.852751 -4.761982 0.000000\n4.852751 4.761982 0.000000\n0.179840 0.000000 6.796567\nCe Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ce\n0.764439 0.576951 0.439754 Mo\n0.576951 0.439754 0.764439 Mo\n0.439754 0.764439 0.576951 Mo\n0.560246 0.235561 0.423049 Mo\n0.423049 0.560246 0.235561 Mo\n0.235561 0.423049 0.560246 Mo\n0.755641 0.374013 0.121205 Se\n0.374013 0.121205 0.755641 Se\n0.239546 0.239546 0.239546 Se\n0.121205 0.755641 0.374013 Se\n0.878795 0.244359 0.625987 Se\n0.760454 0.760454 0.760454 Se\n0.625987 0.878795 0.244359 Se\n0.244359 0.625987 0.878795 Se\n",
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"volume": 314.11983118689807,
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"formula_full": "Ce1 Mo6 Se8",
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{
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}