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{
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{
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{
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{
"id": "mp-24149",
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"structure_string": "Li1 Ce2 H1 O3\n1.0\n-1.749753 1.875065 6.276986\n1.749753 -1.875065 6.276986\n1.749753 1.875065 -6.276986\nLi Ce H O\n1 2 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.361785 0.361785 0.000000 Ce\n0.638215 0.638215 0.000000 Ce\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 O\n0.823062 0.823062 0.000000 O\n0.176938 0.176938 0.000000 O\n",
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"formula_full": "Li1 Ce2 H1 O3",
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},
{
"id": "mp-1205717",
"created_at": "2022-09-04T14:40:14.167349Z",
"structure_string": "K1 Rb2 Mn1 F6\n1.0\n6.297161 0.000000 0.000000\n0.000000 6.297161 0.000000\n-3.148580 -3.148580 4.670453\nK Rb Mn F\n1 2 1 6\ndirect\n0.500000 0.500000 0.000000 K\n0.250000 0.750000 0.500000 Rb\n0.750000 0.250000 0.500000 Rb\n0.000000 0.000000 0.000000 Mn\n0.214525 0.214525 0.000000 F\n0.785475 0.785475 0.000000 F\n0.785475 0.214525 0.000000 F\n0.214525 0.785475 0.000000 F\n0.226410 0.226410 0.452821 F\n0.773590 0.773590 0.547179 F\n",
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"density": 3.3977903486062497,
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"volume": 185.20324857103802,
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"formula_full": "K1 Rb2 Mn1 F6",
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"spacegroup": 139
},
{
"id": "mp-18160",
"created_at": "2022-09-04T14:40:35.262826Z",
"structure_string": "Cs2 Sr1 V4 O12\n1.0\n8.069728 0.000000 0.000000\n0.000000 8.069728 0.000000\n0.000000 0.000000 5.707984\nCs Sr V O\n2 1 4 12\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.500000 Sr\n0.222402 0.222402 0.000000 V\n0.777598 0.222402 0.000000 V\n0.222402 0.777598 0.000000 V\n0.777598 0.777598 0.000000 V\n0.693930 0.693930 0.758415 O\n0.306070 0.306070 0.758415 O\n0.693930 0.306070 0.758415 O\n0.306070 0.693930 0.758415 O\n0.306070 0.693930 0.241585 O\n0.306070 0.306070 0.241585 O\n0.693930 0.693930 0.241585 O\n0.693930 0.306070 0.241585 O\n0.262012 0.000000 0.000000 O\n0.000000 0.262012 0.000000 O\n0.000000 0.737988 0.000000 O\n0.737988 0.000000 0.000000 O\n",
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"elements": [
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],
"chemical_system": "Cs-O-Sr-V",
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"formula_full": "Cs2 Sr1 V4 O12",
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"spacegroup": 123
},
{
"id": "mp-6105",
"created_at": "2022-09-04T14:40:33.557213Z",
"structure_string": "Pr8 Ta12 Se8 O32\n1.0\n7.682805 0.000000 0.000000\n0.000000 10.002248 0.000000\n0.000000 0.000000 12.017262\nPr Ta Se O\n8 12 8 32\ndirect\n0.000000 0.789837 0.656843 Pr\n0.500000 0.710163 0.156843 Pr\n0.500000 0.289837 0.843157 Pr\n0.000000 0.727327 0.148998 Pr\n0.000000 0.272673 0.851002 Pr\n0.500000 0.227327 0.351002 Pr\n0.000000 0.210163 0.343157 Pr\n0.500000 0.772673 0.648998 Pr\n0.249747 0.135904 0.583426 Ta\n0.249747 0.864096 0.416574 Ta\n0.250253 0.635904 0.916574 Ta\n0.250253 0.364096 0.083426 Ta\n0.749747 0.635904 0.916574 Ta\n0.750253 0.135904 0.583426 Ta\n0.750253 0.864096 0.416574 Ta\n0.285497 0.000000 0.000000 Ta\n0.214503 0.500000 0.500000 Ta\n0.714503 0.000000 0.000000 Ta\n0.785497 0.500000 0.500000 Ta\n0.749747 0.364096 0.083426 Ta\n0.500000 0.980239 0.836723 Se\n0.500000 0.019761 0.163277 Se\n0.000000 0.480239 0.663277 Se\n0.000000 0.519761 0.336723 Se\n0.500000 0.476656 0.638301 Se\n0.500000 0.523344 0.361699 Se\n0.000000 0.976656 0.861699 Se\n0.000000 0.023344 0.138301 Se\n0.500000 0.364590 0.051470 O\n0.500000 0.635410 0.948530 O\n0.000000 0.864590 0.448530 O\n0.000000 0.135410 0.551470 O\n0.500000 0.150274 0.548915 O\n0.500000 0.849726 0.451085 O\n0.000000 0.650274 0.951085 O\n0.000000 0.349726 0.048915 O\n0.751795 0.787578 0.276006 O\n0.751795 0.212422 0.723994 O\n0.748205 0.287578 0.223994 O\n0.748205 0.712422 0.776006 O\n0.248205 0.212422 0.723994 O\n0.248205 0.787578 0.276006 O\n0.264820 0.197151 0.975373 O\n0.251795 0.712422 0.776006 O\n0.754195 0.556138 0.102904 O\n0.754195 0.443862 0.897096 O\n0.745805 0.056138 0.397096 O\n0.745805 0.943862 0.602904 O\n0.245805 0.443862 0.897096 O\n0.245805 0.556138 0.102904 O\n0.254195 0.943862 0.602904 O\n0.254195 0.056138 0.397096 O\n0.735180 0.802849 0.024627 O\n0.735180 0.197151 0.975373 O\n0.764820 0.302849 0.475373 O\n0.764820 0.697151 0.524627 O\n0.235180 0.302849 0.475373 O\n0.235180 0.697151 0.524627 O\n0.264820 0.802849 0.024627 O\n0.251795 0.287578 0.223994 O\n",
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"volume": 923.4703552778436,
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"formula_full": "Pr8 Ta12 Se8 O32",
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},
{
"id": "mp-1173281",
"created_at": "2022-09-04T14:40:29.253612Z",
"structure_string": "Sr20 Fe10 Mo10 O60\n1.0\n4.907838 -0.007592 -2.829826\n-1.637817 4.634044 -2.830619\n0.001015 -0.008113 56.671270\nSr Fe Mo O\n20 10 10 60\ndirect\n0.251189 0.750347 0.950360 Sr\n0.241494 0.741272 0.848273 Sr\n0.756939 0.254373 0.951374 Sr\n0.249104 0.749006 0.749738 Sr\n0.742318 0.243838 0.848667 Sr\n0.250105 0.750002 0.650001 Sr\n0.748144 0.247875 0.749537 Sr\n0.250546 0.750543 0.550099 Sr\n0.749680 0.249595 0.649954 Sr\n0.251514 0.751482 0.450284 Sr\n0.750086 0.250048 0.550038 Sr\n0.253614 0.753716 0.350716 Sr\n0.751064 0.251032 0.450228 Sr\n0.259806 0.760164 0.252028 Sr\n0.753322 0.253341 0.350677 Sr\n0.246796 0.747439 0.149593 Sr\n0.758296 0.258322 0.251696 Sr\n0.244438 0.744757 0.048907 Sr\n0.746667 0.248811 0.149720 Sr\n0.745638 0.244144 0.048942 Sr\n0.005330 0.004912 0.901160 Fe\n0.998183 0.998359 0.799558 Fe\n-0.000173 0.999763 0.699921 Fe\n0.000006 -0.000023 0.600006 Fe\n0.000544 0.000519 0.500108 Fe\n0.001777 0.001777 0.400355 Fe\n0.001939 0.001988 0.300399 Fe\n0.995303 0.995881 0.199211 Fe\n0.505017 0.505604 0.101239 Fe\n0.493961 0.492874 0.998773 Fe\n0.494123 0.493474 0.898820 Mo\n0.499112 0.499220 0.799679 Mo\n0.499230 0.499138 0.699818 Mo\n0.499869 0.499823 0.599978 Mo\n0.500455 0.500453 0.500094 Mo\n0.502205 0.502200 0.400438 Mo\n0.502353 0.502419 0.300477 Mo\n0.993162 0.993961 0.098784 Mo\n0.503476 0.503795 0.200833 Mo\n0.004662 0.003882 0.000879 Mo\n0.245809 0.245549 0.949547 O\n0.207854 0.709563 0.898957 O\n0.296095 0.227381 0.900367 O\n0.249714 0.249102 0.849660 O\n0.757116 0.755250 0.951074 O\n0.705268 0.774171 0.899918 O\n0.209811 0.710479 0.799335 O\n0.781605 0.279081 0.898901 O\n0.284492 0.211530 0.799570 O\n0.257199 0.257792 0.751281 O\n0.745070 0.743783 0.848570 O\n0.713268 0.787134 0.799751 O\n0.211678 0.713570 0.699917 O\n0.784083 0.283289 0.799152 O\n0.285190 0.210928 0.699820 O\n0.257236 0.257514 0.651442 O\n0.741836 0.741292 0.748286 O\n0.713906 0.787985 0.699919 O\n0.211887 0.713863 0.600011 O\n0.787169 0.285175 0.699825 O\n0.285888 0.211272 0.599968 O\n0.257772 0.258025 0.551571 O\n0.742386 0.742135 0.648465 O\n0.713841 0.788375 0.599979 O\n0.212385 0.714254 0.500100 O\n0.787798 0.285773 0.599938 O\n0.286420 0.211771 0.500053 O\n0.257961 0.258288 0.451627 O\n0.742784 0.742512 0.548548 O\n0.714109 0.788731 0.500060 O\n0.213770 0.715806 0.400295 O\n0.788188 0.286320 0.500021 O\n0.286967 0.213215 0.400264 O\n0.258783 0.259085 0.351779 O\n0.743086 0.742819 0.448612 O\n0.715581 0.789324 0.400248 O\n0.214669 0.715419 0.300668 O\n0.788789 0.286758 0.400216 O\n0.292256 0.214765 0.300788 O\n0.256842 0.257188 0.251421 O\n0.744228 0.743859 0.348812 O\n0.715471 0.793088 0.300783 O\n0.218502 0.702616 0.200398 O\n0.791523 0.290811 0.300581 O\n0.297812 0.206802 0.200431 O\n0.248379 0.248205 0.149786 O\n0.751640 0.751062 0.250317 O\n0.705748 0.796652 0.200463 O\n0.210442 0.709255 0.099229 O\n0.784572 0.300461 0.200332 O\n0.272568 0.201505 0.098972 O\n0.246561 0.252173 0.049373 O\n0.749136 0.748407 0.150076 O\n0.721820 0.793132 0.099878 O\n0.211589 0.715632 0.000145 O\n0.779256 0.282031 0.099072 O\n0.288121 0.213751 0.000383 O\n0.750041 0.752072 0.049529 O\n0.713889 0.785355 0.999655 O\n0.790850 0.286738 0.000488 O\n",
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