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{
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"results": [
{
"id": "mp-676330",
"created_at": "2022-09-04T14:47:41.850723Z",
"structure_string": "Nb12 Br17 F13\n1.0\n9.845053 0.000000 0.000000\n-4.903943 8.558267 0.000000\n-4.865223 -2.858855 12.041758\nNb Br F\n12 17 13\ndirect\n0.883094 0.882240 0.101249 Nb\n0.214856 0.996971 0.101133 Nb\n0.097631 0.211592 0.099045 Nb\n0.899596 0.615924 0.399036 Nb\n0.783681 0.283957 0.398984 Nb\n0.115618 0.498983 0.398336 Nb\n0.884593 0.501004 0.601214 Nb\n0.216543 0.716049 0.600892 Nb\n0.100658 0.384390 0.601176 Nb\n0.899528 0.782664 0.899242 Nb\n0.779629 0.995674 0.899487 Nb\n0.112465 0.114919 0.902186 Nb\n0.252586 0.255667 0.755267 Br\n0.747803 0.497756 0.749862 Br\n0.499459 0.001580 0.750123 Br\n0.729473 0.585114 0.999736 Br\n0.412922 0.148923 0.001747 Br\n0.858590 0.270604 0.999546 Br\n0.730234 0.644758 0.500800 Br\n0.143621 0.913343 0.499878 Br\n0.586329 0.231240 0.499974 Br\n0.413647 0.768587 0.499603 Br\n0.856821 0.086871 0.500384 Br\n0.269907 0.355226 0.499264 Br\n0.144548 0.728636 0.998716 Br\n0.583242 0.852807 0.000256 Br\n0.500289 0.997927 0.249834 Br\n0.252371 0.500571 0.245933 Br\n0.746904 0.749165 0.250302 Br\n0.316151 0.215299 0.205594 F\n0.104802 0.889278 0.208753 F\n0.683048 0.398351 0.292426 F\n0.007936 0.609031 0.291934 F\n0.894686 0.284563 0.291680 F\n0.992141 0.102481 0.207888 F\n0.010091 0.901518 0.793427 F\n0.105332 0.715603 0.708093 F\n0.991978 0.391001 0.707967 F\n0.317211 0.601940 0.707491 F\n0.895133 0.111843 0.795306 F\n0.682632 0.783064 0.791530 F\n0.219353 0.341384 0.999807 F\n",
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},
{
"id": "mp-1265516",
"created_at": "2022-09-04T14:44:54.295350Z",
"structure_string": "La13 Al12 Si18 N39 O15\n1.0\n11.093430 0.000000 -3.922120\n-5.543410 9.590017 -3.912771\n-0.006610 0.000000 11.747661\nLa Al Si N O\n13 12 18 39 15\ndirect\n0.989817 0.313750 0.573974 La\n0.989817 0.573974 0.313750 La\n0.324907 0.000000 0.573566 La\n0.254830 0.668848 0.668848 La\n0.891876 0.000000 0.000000 La\n0.415843 0.739777 0.426027 La\n0.415843 0.426027 0.739777 La\n0.324907 0.573566 0.000000 La\n0.676067 0.686250 0.260223 La\n0.676067 0.260223 0.686250 La\n0.751341 0.426434 0.426434 La\n0.585982 0.000000 0.331152 La\n0.585982 0.331152 0.000000 La\n0.001649 0.841681 0.245897 Al\n0.001649 0.245897 0.841681 Al\n0.247092 0.000000 0.837339 Al\n0.159968 0.158319 0.404216 Al\n0.159968 0.404216 0.158319 Al\n0.247092 0.837339 0.000000 Al\n0.585152 0.747182 0.747182 Al\n0.755752 0.595784 0.754103 Al\n0.755752 0.754103 0.595784 Al\n0.409754 0.162661 0.162661 Al\n0.837970 0.000000 0.252818 Al\n0.837970 0.252818 0.000000 Al\n0.003320 0.698108 0.698108 Si\n0.999731 0.538369 0.839074 Si\n0.999731 0.839074 0.538369 Si\n0.160657 0.160926 0.699295 Si\n0.160657 0.699295 0.160926 Si\n0.539918 0.000000 0.840977 Si\n0.301121 0.457785 0.457785 Si\n0.305212 0.000000 0.301892 Si\n0.305212 0.301892 0.000000 Si\n0.461360 0.300705 0.461631 Si\n0.461360 0.461631 0.300705 Si\n0.539918 0.840977 0.000000 Si\n0.843335 0.000000 0.542215 Si\n0.704500 0.000000 0.705166 Si\n0.704500 0.705166 0.000000 Si\n0.698941 0.159023 0.159023 Si\n0.843335 0.542215 0.000000 Si\n0.999334 0.294834 0.294834 Si\n0.003784 0.696515 0.548947 N\n0.003784 0.548947 0.696515 N\n0.151427 0.000000 0.669582 N\n0.156885 0.840146 0.840146 N\n0.167833 0.000000 0.327161 N\n0.003179 0.681027 0.149176 N\n0.003179 0.149176 0.681027 N\n0.142160 0.441366 0.441366 N\n0.996948 0.144670 0.288180 N\n0.996948 0.288180 0.144670 N\n0.307269 0.852432 0.303485 N\n0.307269 0.303485 0.852432 N\n0.151427 0.669582 0.000000 N\n0.316739 0.000000 0.159854 N\n0.530645 0.854219 0.854219 N\n0.418463 0.607712 0.607712 N\n0.167833 0.327161 0.000000 N\n0.322151 0.318973 0.468148 N\n0.322151 0.468148 0.318973 N\n0.700794 0.000000 0.558634 N\n0.708768 0.856491 0.711820 N\n0.708768 0.711820 0.856491 N\n0.454837 0.451053 0.147568 N\n0.454837 0.147568 0.451053 N\n0.481846 0.330418 0.330418 N\n0.316739 0.159854 0.000000 N\n0.555057 0.000000 0.699526 N\n0.555057 0.699526 0.000000 N\n0.810751 0.000000 0.392288 N\n0.840671 0.672839 0.672839 N\n0.854003 0.850824 0.531852 N\n0.854003 0.531852 0.850824 N\n0.700794 0.558634 0.000000 N\n0.852278 0.143509 0.855330 N\n0.852278 0.855330 0.143509 N\n0.676426 0.000000 0.145781 N\n0.676426 0.145781 0.000000 N\n0.855532 0.300474 0.300474 N\n0.810751 0.392288 0.000000 N\n0.249245 0.752821 0.496802 O\n0.249245 0.496802 0.752821 O\n0.177721 0.574280 0.191569 O\n0.177721 0.191569 0.574280 O\n0.392069 0.000000 0.812931 O\n0.392069 0.812931 0.000000 O\n0.496424 0.247179 0.743982 O\n0.496424 0.743982 0.247179 O\n0.603440 0.617290 0.425720 O\n0.603440 0.425720 0.617290 O\n0.579138 0.187069 0.187069 O\n0.752443 0.503198 0.256018 O\n0.752443 0.256018 0.503198 O\n0.986151 0.808431 0.382710 O\n0.986151 0.382710 0.808431 O\n",
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"elements": [
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"volume": 1249.5401813719534,
"volume_molar": 7.7576359355647755,
"formula_full": "La13 Al12 Si18 N39 O15",
"formula_reduced": "La13Al12Si18(N13O5)3",
"formula_anonymous": "A12B13C15D18E39",
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"updated_at": "2021-11-28T01:36:46.319000Z",
"spacegroup": 160
},
{
"id": "mp-695367",
"created_at": "2022-09-04T14:45:29.169028Z",
"structure_string": "La13 Al12 Si18 N39 O15\n1.0\n6.788480 -9.612125 0.000000\n6.788480 9.612125 0.000000\n-6.821774 0.000000 9.588525\nLa Al Si N O\n13 12 18 39 15\ndirect\n0.992634 0.420026 0.677090 La\n0.992634 0.677090 0.420026 La\n0.324574 0.747560 0.324574 La\n0.259514 0.589760 0.589760 La\n0.992204 0.992204 0.992204 La\n0.420026 0.992634 0.677090 La\n0.420026 0.677090 0.992634 La\n0.324574 0.324574 0.747560 La\n0.677090 0.420026 0.992634 La\n0.677090 0.992634 0.420026 La\n0.747560 0.324574 0.324574 La\n0.589760 0.259514 0.589760 La\n0.589760 0.589760 0.259514 La\n0.000321 0.753731 0.160850 Al\n0.000321 0.160850 0.753731 Al\n0.245610 0.407189 0.245610 Al\n0.160850 0.753731 0.000321 Al\n0.160850 0.000321 0.753731 Al\n0.245610 0.245610 0.407189 Al\n0.590384 0.838088 0.838088 Al\n0.753731 0.000321 0.160850 Al\n0.753731 0.160850 0.000321 Al\n0.407189 0.245610 0.245610 Al\n0.838088 0.590384 0.838088 Al\n0.838088 0.838088 0.590384 Al\n0.001036 0.300980 0.300980 Si\n0.999460 0.159557 0.459368 Si\n0.999460 0.459368 0.159557 Si\n0.159557 0.459368 0.999460 Si\n0.159557 0.999460 0.459368 Si\n0.540102 0.697829 0.540102 Si\n0.301852 0.840781 0.840781 Si\n0.300980 0.001036 0.300980 Si\n0.300980 0.300980 0.001036 Si\n0.459368 0.999460 0.159557 Si\n0.459368 0.159557 0.999460 Si\n0.540102 0.540102 0.697829 Si\n0.840781 0.301852 0.840781 Si\n0.702402 0.998766 0.702402 Si\n0.702402 0.702402 0.998766 Si\n0.697829 0.540102 0.540102 Si\n0.840781 0.840781 0.301852 Si\n0.998766 0.702402 0.702402 Si\n0.000251 0.449143 0.303366 N\n0.000251 0.303366 0.449143 N\n0.149926 0.476244 0.149926 N\n0.148821 0.302640 0.302640 N\n0.156671 0.848363 0.156671 N\n0.001135 0.851541 0.323075 N\n0.001135 0.323075 0.851541 N\n0.141770 0.697275 0.697275 N\n0.000153 0.700421 0.848228 N\n0.000153 0.848228 0.700421 N\n0.303366 0.000251 0.449143 N\n0.303366 0.449143 0.000251 N\n0.149926 0.149926 0.476244 N\n0.302640 0.148821 0.302640 N\n0.527134 0.673801 0.673801 N\n0.421176 0.810643 0.810643 N\n0.156671 0.156671 0.848363 N\n0.323075 0.851541 0.001135 N\n0.323075 0.001135 0.851541 N\n0.697275 0.141770 0.697275 N\n0.700421 0.000153 0.848228 N\n0.700421 0.848228 0.000153 N\n0.449143 0.303366 0.000251 N\n0.449143 0.000251 0.303366 N\n0.476244 0.149926 0.149926 N\n0.302640 0.302640 0.148821 N\n0.552395 0.852805 0.552395 N\n0.552395 0.552395 0.852805 N\n0.810643 0.421176 0.810643 N\n0.848363 0.156671 0.156671 N\n0.851541 0.323075 0.001135 N\n0.851541 0.001135 0.323075 N\n0.697275 0.697275 0.141770 N\n0.848228 0.000153 0.700421 N\n0.848228 0.700421 0.000153 N\n0.673801 0.527134 0.673801 N\n0.673801 0.673801 0.527134 N\n0.852805 0.552395 0.552395 N\n0.810643 0.810643 0.421176 N\n0.249194 0.753798 0.496921 O\n0.249194 0.496921 0.753798 O\n0.183742 0.997961 0.607526 O\n0.183742 0.607526 0.997961 O\n0.390593 0.575885 0.390593 O\n0.390593 0.390593 0.575885 O\n0.496921 0.753798 0.249194 O\n0.496921 0.249194 0.753798 O\n0.607526 0.183742 0.997961 O\n0.607526 0.997961 0.183742 O\n0.575885 0.390593 0.390593 O\n0.753798 0.496921 0.249194 O\n0.753798 0.249194 0.496921 O\n0.997961 0.607526 0.183742 O\n0.997961 0.183742 0.607526 O\n",
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"formula_full": "La13 Al12 Si18 N39 O15",
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{
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"structure_string": "C26 Cl24\n1.0\n8.525338 0.007006 -1.099146\n-4.243346 7.666268 -0.141423\n-0.000398 -0.166337 16.225209\nC Cl\n26 24\ndirect\n0.019183 0.878714 0.159575 C\n0.980817 0.121286 0.840425 C\n0.150058 0.179598 0.881663 C\n0.849942 0.820402 0.118337 C\n0.524369 0.400420 0.320424 C\n0.475631 0.599580 0.679576 C\n0.128937 0.061616 0.197343 C\n0.871063 0.938384 0.802657 C\n0.387395 0.429212 0.639511 C\n0.612605 0.570788 0.360489 C\n0.245221 0.113603 0.271379 C\n0.754779 0.886397 0.728621 C\n0.081736 0.183293 0.153238 C\n0.918264 0.816707 0.846762 C\n0.227535 0.059567 0.898349 C\n0.772465 0.940433 0.101651 C\n0.485020 0.367167 0.599039 C\n0.514980 0.632833 0.400961 C\n0.338681 0.291205 0.317950 C\n0.661319 0.708795 0.682050 C\n0.245433 0.351948 0.362866 C\n0.754567 0.648052 0.637134 C\n0.913435 0.129554 0.112471 C\n0.086565 0.870446 0.887529 C\n0.331840 0.521968 0.403631 C\n0.668160 0.478032 0.596369 C\n0.642690 0.326901 0.269731 Cl\n0.357310 0.673099 0.730269 Cl\n0.242211 0.397374 0.152651 Cl\n0.757789 0.602626 0.847349 Cl\n0.163850 0.296034 0.641058 Cl\n0.836150 0.703966 0.358942 Cl\n0.710246 0.604934 0.085222 Cl\n0.289754 0.395066 0.914778 Cl\n0.380336 0.157806 0.552492 Cl\n0.619664 0.842194 0.447508 Cl\n0.214702 0.595155 0.455622 Cl\n0.785298 0.404845 0.544378 Cl\n0.390275 0.097305 0.827431 Cl\n0.609725 0.902695 0.172569 Cl\n0.346316 0.110072 0.003585 Cl\n0.653684 0.889928 0.996415 Cl\n0.022254 0.217687 0.366874 Cl\n0.977746 0.782313 0.633126 Cl\n0.103423 0.736151 0.164876 Cl\n0.896577 0.263849 0.835124 Cl\n0.850510 0.273969 0.072832 Cl\n0.149490 0.726031 0.927168 Cl\n0.711029 0.030211 0.672093 Cl\n0.288971 0.969789 0.327907 Cl\n",
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"formula_full": "C26 Cl24",
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{
"id": "mp-764326",
"created_at": "2022-09-04T14:40:22.159752Z",
"structure_string": "Fe12 O13\n1.0\n4.070460 -5.540626 0.000000\n4.070460 5.540626 0.000000\n-3.471324 0.000000 5.934399\nFe O\n12 13\ndirect\n0.073268 0.231136 0.709365 Fe\n0.231136 0.709365 0.073268 Fe\n0.623477 0.847953 0.541755 Fe\n0.541755 0.623477 0.847953 Fe\n0.152047 0.458245 0.376523 Fe\n0.290635 0.926732 0.768864 Fe\n0.709365 0.073268 0.231136 Fe\n0.458245 0.376523 0.152047 Fe\n0.847953 0.541755 0.623477 Fe\n0.768864 0.290635 0.926732 Fe\n0.376523 0.152047 0.458245 Fe\n0.926732 0.768864 0.290635 Fe\n0.129297 0.374490 0.047023 O\n0.047023 0.129297 0.374490 O\n0.575211 0.719690 0.190014 O\n0.190014 0.575211 0.719690 O\n0.374490 0.047023 0.129297 O\n0.625510 0.952977 0.870703 O\n0.719690 0.190014 0.575211 O\n0.280310 0.809986 0.424789 O\n0.424789 0.280310 0.809986 O\n0.809986 0.424789 0.280310 O\n0.952977 0.870703 0.625510 O\n0.870703 0.625510 0.952977 O\n0.500000 0.500000 0.500000 O\n",
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{
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