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{
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{
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{
"id": "mp-1047894",
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{
"id": "mp-1518145",
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"structure_string": "Sr1 Eu1 Zr1 Sb1 O6\n1.0\n-0.000000 -4.211937 -4.211937\n4.211937 -0.000000 -4.211937\n4.211937 -4.211937 -0.000000\nSr Eu Zr Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 -0.000000 Sb\n0.748754 0.251246 0.251246 O\n0.251246 0.748754 0.748754 O\n0.748754 0.251246 0.748754 O\n0.251246 0.748754 0.251246 O\n0.748754 0.748754 0.251246 O\n0.251246 0.251246 0.748754 O\n",
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{
"id": "mp-1028948",
"created_at": "2022-09-04T14:40:12.957794Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n1.670881 -2.894051 0.000000\n1.670881 2.894051 0.000000\n0.000000 0.000000 38.022034\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333333 0.666667 0.707401 Te\n0.333333 0.666667 0.607686 Te\n0.333333 0.666667 0.093887 Mo\n0.666667 0.333333 0.657566 Mo\n0.333333 0.666667 0.469663 W\n0.666667 0.333333 0.281811 W\n0.333333 0.666667 0.325836 Se\n0.666667 0.333333 0.050093 Se\n0.666667 0.333333 0.137727 Se\n0.333333 0.666667 0.237772 Se\n0.666667 0.333333 0.429622 S\n0.666667 0.333333 0.509683 S\n",
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{
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"structure_string": "Y1 Al6 Si30 N45 O3\n1.0\n-7.867781 0.000000 0.000000\n3.887835 6.857634 0.000000\n-0.029319 -0.080399 -17.126248\nY Al Si N O\n1 6 30 45 3\ndirect\n0.675955 0.346157 0.271620 Y\n0.096397 0.514794 0.282443 Al\n0.916040 0.432586 0.449393 Al\n0.925103 0.432202 0.107250 Al\n0.913509 0.747716 0.680288 Al\n0.922984 0.753910 0.349692 Al\n0.914069 0.748055 0.013047 Al\n0.169311 0.241074 0.848411 Si\n0.168729 0.241586 0.519489 Si\n0.170494 0.241828 0.181464 Si\n0.083189 0.517221 0.945167 Si\n0.087863 0.519290 0.616098 Si\n0.089007 0.828591 0.846799 Si\n0.088655 0.828133 0.514756 Si\n0.078837 0.822601 0.180300 Si\n0.486412 0.568521 0.944253 Si\n0.488764 0.568305 0.613065 Si\n0.486478 0.579826 0.279960 Si\n0.428865 0.918110 0.943389 Si\n0.431153 0.919404 0.612287 Si\n0.426383 0.914995 0.278672 Si\n0.252987 0.167707 0.682801 Si\n0.246806 0.172984 0.351426 Si\n0.248674 0.168157 0.014276 Si\n0.514550 0.084183 0.778584 Si\n0.513184 0.083541 0.448652 Si\n0.507816 0.079928 0.110347 Si\n0.744591 0.909515 0.847649 Si\n0.745529 0.910602 0.516644 Si\n0.747962 0.917508 0.179936 Si\n0.836514 0.088634 0.681999 Si\n0.831199 0.085431 0.350627 Si\n0.835618 0.089570 0.011548 Si\n0.568657 0.488117 0.777818 Si\n0.565359 0.489355 0.109368 Si\n0.563119 0.483942 0.447706 Si\n0.913603 0.433958 0.775815 Si\n0.006386 0.014041 0.681418 N\n0.003509 0.015482 0.347283 N\n0.309680 0.319879 0.932346 N\n0.316570 0.319238 0.600931 N\n0.324593 0.323624 0.266063 N\n0.007279 0.680588 0.926770 N\n0.006641 0.677340 0.594822 N\n0.983868 0.664799 0.259071 N\n0.331818 0.666421 0.958304 N\n0.335844 0.668001 0.627538 N\n0.347905 0.680497 0.302755 N\n0.998050 0.997701 0.183175 N\n0.608404 0.655128 0.521429 N\n0.609070 0.653819 0.853970 N\n0.609205 0.656833 0.188899 N\n0.347598 0.961296 0.853836 N\n0.346638 0.959075 0.522489 N\n0.344047 0.959199 0.189839 N\n0.391375 0.046520 0.688357 N\n0.401375 0.062835 0.352546 N\n0.391988 0.049825 0.019971 N\n0.318471 0.312627 0.768222 N\n0.308891 0.318520 0.435212 N\n0.316424 0.312962 0.100361 N\n0.677419 0.989382 0.932266 N\n0.681782 0.995860 0.600549 N\n0.681170 0.010307 0.264249 N\n0.690503 0.009443 0.766956 N\n0.689138 0.011578 0.099028 N\n0.683095 0.000573 0.434335 N\n0.667509 0.333867 0.796807 N\n0.652526 0.328815 0.466122 N\n0.656968 0.330451 0.136719 N\n0.997866 0.995511 0.847827 N\n0.003412 0.012955 0.014142 N\n0.643724 0.586840 0.352910 N\n0.643251 0.602788 0.688958 N\n0.640699 0.600163 0.020938 N\n0.954899 0.346860 0.687822 N\n0.925901 0.332844 0.350485 N\n0.951220 0.341100 0.011881 N\n0.006842 0.678322 0.767337 N\n0.009693 0.688616 0.098916 N\n0.015962 0.690811 0.433724 N\n0.998093 0.996584 0.516334 N\n0.044130 0.382873 0.851633 O\n0.048100 0.377519 0.528501 O\n0.052772 0.374985 0.187585 O\n",
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{
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{
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"structure_string": "Sm2 Si4 Ir4\n1.0\n4.170460 0.000000 0.000000\n0.000000 4.170460 0.000000\n0.000000 0.000000 9.894712\nSm Si Ir\n2 4 4\ndirect\n0.000000 0.500000 0.255657 Sm\n0.500000 0.000000 0.744343 Sm\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.869773 Si\n0.500000 0.000000 0.130227 Si\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.627289 Ir\n0.500000 0.000000 0.372711 Ir\n",
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{
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"spacegroup": 88
},
{
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"created_at": "2022-09-04T14:40:13.634142Z",
"structure_string": "Mn4 Cu2 O8\n1.0\n1.597566 4.970214 3.114564\n-5.227468 0.140223 3.139437\n3.508129 -4.967544 -0.189116\nMn Cu O\n4 2 8\ndirect\n0.500028 0.500047 0.000006 Mn\n0.999969 0.500078 0.000103 Mn\n0.999912 0.499993 0.499895 Mn\n0.999939 0.999852 0.499839 Mn\n0.374249 0.123062 0.251168 Cu\n0.625572 0.876825 0.748732 Cu\n0.221853 0.738113 0.484557 O\n0.239257 0.714093 0.975062 O\n0.239340 0.265557 0.525283 O\n0.217604 0.250051 0.968157 O\n0.760659 0.734624 0.475011 O\n0.782410 0.750063 0.031755 O\n0.778488 0.262005 0.515666 O\n0.760720 0.285637 0.024770 O\n",
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"elements": [
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"density": 5.118592372256978,
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"volume": 154.0441753330024,
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"formula_full": "Mn4 Cu2 O8",
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"spacegroup": 12
},
{
"id": "mp-768173",
"created_at": "2022-09-04T14:40:14.102755Z",
"structure_string": "Li8 Al8 Fe4 O24\n1.0\n-3.270844 -2.802539 4.907074\n4.059213 1.440422 4.906971\n-5.050956 8.725333 0.009763\nLi Al Fe O\n8 8 4 24\ndirect\n0.750221 0.749785 0.624986 Li\n0.250267 0.249718 0.874998 Li\n0.750207 0.749775 0.124988 Li\n0.250289 0.249698 0.374987 Li\n0.395788 0.104189 0.625003 Li\n0.895782 0.604200 0.874995 Li\n0.395797 0.104216 0.124998 Li\n0.895808 0.604197 0.375009 Li\n0.168167 0.831867 0.750023 Al\n0.668048 0.331788 0.999971 Al\n0.168224 0.831963 0.250035 Al\n0.668098 0.331726 0.499927 Al\n0.340164 0.659969 0.500003 Al\n0.840074 0.159740 0.750019 Al\n0.340275 0.659871 0.999971 Al\n0.840015 0.159773 0.249996 Al\n0.500226 0.499492 0.749811 Fe\n0.000463 0.999783 0.000084 Fe\n0.500257 0.499742 0.250023 Fe\n0.000436 0.999805 0.500093 Fe\n0.769691 0.437682 0.688378 O\n0.269847 0.938044 0.938416 O\n0.769628 0.437720 0.188425 O\n0.269914 0.938132 0.438458 O\n0.062096 0.730299 0.561557 O\n0.562018 0.230199 0.811576 O\n0.062286 0.730363 0.061620 O\n0.561820 0.230178 0.311583 O\n0.898742 0.884442 0.805062 O\n0.398672 0.384620 0.055179 O\n0.898867 0.884599 0.305196 O\n0.398713 0.384578 0.555162 O\n0.615470 0.601275 0.444914 O\n0.115390 0.101311 0.694832 O\n0.615532 0.601257 0.944930 O\n0.115390 0.101301 0.194819 O\n0.432364 0.765235 0.678981 O\n0.932308 0.265224 0.928981 O\n0.432502 0.765319 0.179029 O\n0.932215 0.265275 0.428973 O\n0.734764 0.067597 0.570986 O\n0.234797 0.567688 0.821001 O\n0.734752 0.067435 0.070986 O\n0.234735 0.567811 0.321042 O\n",
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"formula_full": "Li8 Al8 Fe4 O24",
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{
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"created_at": "2022-09-04T14:40:14.115931Z",
"structure_string": "Eu4 Mo6 O24\n1.0\n5.877148 3.922328 0.000000\n-5.877148 3.922328 0.000000\n0.000000 3.776477 11.024662\nEu Mo O\n4 6 24\ndirect\n0.452109 0.195359 0.091844 Eu\n0.804641 0.547891 0.408156 Eu\n0.547891 0.804641 0.908156 Eu\n0.195359 0.452109 0.591844 Eu\n0.621432 0.378568 0.750000 Mo\n0.378568 0.621432 0.250000 Mo\n0.984788 0.697984 0.052525 Mo\n0.302016 0.015212 0.447475 Mo\n0.015212 0.302016 0.947475 Mo\n0.697984 0.984788 0.552525 Mo\n0.552264 0.471303 0.613977 O\n0.528697 0.447736 0.886023 O\n0.447736 0.528697 0.386023 O\n0.471303 0.552264 0.113977 O\n0.891637 0.822166 0.945860 O\n0.177834 0.108363 0.554140 O\n0.108363 0.177834 0.054140 O\n0.822166 0.891637 0.445860 O\n0.288074 0.140771 0.303022 O\n0.859229 0.711926 0.196978 O\n0.711926 0.859229 0.696978 O\n0.140771 0.288074 0.803022 O\n0.172788 0.599373 0.921823 O\n0.400627 0.827212 0.578177 O\n0.827212 0.400627 0.078177 O\n0.599373 0.172788 0.421823 O\n0.487955 0.904067 0.219315 O\n0.095933 0.512045 0.280685 O\n0.512045 0.095933 0.780685 O\n0.904067 0.487955 0.719315 O\n0.866033 0.271832 0.541389 O\n0.728168 0.133967 0.958611 O\n0.133967 0.728168 0.458611 O\n0.271832 0.866033 0.041389 O\n",
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"density": 5.120893386776725,
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"formula_full": "Eu4 Mo6 O24",
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]
}