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{
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"structure_string": "La4 B4 O12\n1.0\n5.144524 0.000000 0.000000\n0.000000 5.919331 0.000000\n0.000000 0.000000 8.291427\nLa B O\n4 4 12\ndirect\n0.250000 0.256477 0.415325 La\n0.750000 0.743523 0.584675 La\n0.250000 0.756477 0.084675 La\n0.750000 0.243523 0.915325 La\n0.250000 0.420632 0.760681 B\n0.750000 0.579368 0.239319 B\n0.250000 0.920632 0.739319 B\n0.750000 0.079368 0.260681 B\n0.750000 0.091728 0.426701 O\n0.250000 0.908272 0.573299 O\n0.750000 0.591728 0.073299 O\n0.250000 0.408272 0.926701 O\n0.982284 0.084152 0.176322 O\n0.482284 0.915848 0.823678 O\n0.517716 0.584152 0.323678 O\n0.017716 0.415848 0.676322 O\n0.017716 0.915848 0.823678 O\n0.517716 0.084152 0.176322 O\n0.482284 0.415848 0.676322 O\n0.982284 0.584152 0.323678 O\n",
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{
"id": "mp-821676",
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"structure_string": "Sr7 Sm1 Fe4 Mo4 O24\n1.0\n5.632516 0.000000 0.000000\n-2.799017 4.940149 0.000000\n-0.142949 -2.920206 18.519713\nSr Sm Fe Mo O\n7 1 4 4 24\ndirect\n0.317255 0.255210 0.808742 Sr\n0.059964 0.250192 0.563554 Sr\n0.831576 0.261608 0.303831 Sr\n0.544593 0.233761 0.074991 Sr\n0.182201 0.751905 0.686654 Sr\n0.436137 0.745074 0.936297 Sr\n0.941475 0.750720 0.438720 Sr\n0.671018 0.751969 0.186735 Sm\n0.751700 0.998078 0.750803 Fe\n0.498754 0.003809 0.500193 Fe\n0.253346 0.999867 0.249243 Fe\n0.119152 0.488180 0.129360 Fe\n0.995430 0.992133 0.002659 Mo\n0.874867 0.500325 0.873381 Mo\n0.622905 0.503345 0.624181 Mo\n0.377901 0.502202 0.374805 Mo\n0.924762 0.738173 0.940272 O\n0.684458 0.758226 0.684621 O\n0.435630 0.747632 0.435136 O\n0.253104 0.739549 0.188418 O\n0.320981 0.709254 0.823509 O\n0.076087 0.712854 0.569658 O\n0.800157 0.682781 0.329684 O\n0.582477 0.695352 0.077757 O\n0.859678 0.188994 0.952376 O\n0.620982 0.225762 0.692089 O\n0.355052 0.210206 0.447494 O\n0.070652 0.150449 0.195365 O\n0.803653 0.251497 0.812016 O\n0.563760 0.253906 0.559765 O\n0.306049 0.266359 0.315061 O\n0.038540 0.235255 0.065768 O\n0.898496 0.806205 0.798215 O\n0.636391 0.785533 0.550493 O\n0.401025 0.790230 0.303639 O\n0.152704 0.810689 0.048044 O\n0.421668 0.293187 0.924959 O\n0.177856 0.302192 0.675139 O\n0.937295 0.297972 0.426076 O\n0.700269 0.359365 0.180298 O\n",
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"formula_full": "Sr7 Sm1 Fe4 Mo4 O24",
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{
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"created_at": "2022-09-04T14:46:26.404309Z",
"structure_string": "Cs2 Ge1 F6\n1.0\n0.000000 4.586239 4.586239\n4.586239 0.000000 4.586239\n4.586239 4.586239 0.000000\nCs Ge F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.000000 0.000000 0.000000 Ge\n0.799451 0.200549 0.799451 F\n0.200549 0.200549 0.799451 F\n0.799451 0.799451 0.200549 F\n0.200549 0.799451 0.200549 F\n0.200549 0.799451 0.799451 F\n0.799451 0.200549 0.200549 F\n",
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"density": 3.894137804202406,
"density_atomic": 0.04664901354172628,
"volume": 192.93012470563272,
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"formula_full": "Cs2 Ge1 F6",
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"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:37:38.414000Z",
"spacegroup": 225
},
{
"id": "mp-821716",
"created_at": "2022-09-04T14:41:55.128564Z",
"structure_string": "Li6 Mo4 P10 O36\n1.0\n9.530382 0.000000 0.000000\n-1.222799 10.596550 0.000000\n-0.293857 -0.328938 6.618728\nLi Mo P O\n6 4 10 36\ndirect\n0.133721 0.011696 0.936489 Li\n0.595818 0.559982 0.255409 Li\n0.670601 0.130356 0.195329 Li\n0.329399 0.869644 0.804671 Li\n0.404182 0.440018 0.744591 Li\n0.866279 0.988304 0.063511 Li\n0.952860 0.330449 0.768221 Mo\n0.592506 0.771217 0.645750 Mo\n0.047140 0.669551 0.231779 Mo\n0.407494 0.228783 0.354250 Mo\n0.601179 0.780940 0.986094 P\n0.398821 0.219060 0.013906 P\n0.097431 0.167272 0.276101 P\n0.206966 0.512877 0.960880 P\n0.644320 0.276827 0.593447 P\n0.822879 0.830047 0.417927 P\n0.177121 0.169953 0.582073 P\n0.902569 0.832728 0.723899 P\n0.793034 0.487123 0.039120 P\n0.355680 0.723173 0.406553 P\n0.235773 0.211435 0.252260 O\n0.743818 0.397872 0.165364 O\n0.529862 0.721988 0.105507 O\n0.314534 0.411831 0.055131 O\n0.764227 0.788565 0.747740 O\n0.099319 0.084666 0.430475 O\n0.976415 0.645805 0.749241 O\n0.788645 0.309840 0.627076 O\n0.483950 0.213008 0.161167 O\n0.041343 0.986203 0.178362 O\n0.685466 0.588169 0.944869 O\n0.081381 0.325625 0.627597 O\n0.256182 0.602128 0.834636 O\n0.309853 0.034076 0.982992 O\n0.896119 0.664726 0.081263 O\n0.516050 0.786992 0.838833 O\n0.958657 0.013797 0.821638 O\n0.421653 0.541071 0.342993 O\n0.697857 0.726477 0.455252 O\n0.578347 0.458929 0.657007 O\n0.211355 0.690160 0.372924 O\n0.596096 0.078102 0.652447 O\n0.403904 0.921898 0.347553 O\n0.848556 0.334436 0.937114 O\n0.918619 0.674375 0.372403 O\n0.302143 0.273523 0.544748 O\n0.598283 0.261655 0.430861 O\n0.194878 0.001391 0.680012 O\n0.690147 0.965924 0.017008 O\n0.900681 0.915334 0.569525 O\n0.805122 0.998609 0.319988 O\n0.151444 0.665564 0.062886 O\n0.470138 0.278012 0.894493 O\n0.401717 0.738345 0.569139 O\n0.103881 0.335274 0.918737 O\n0.023585 0.354195 0.250759 O\n",
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"elements": [
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"density": 3.257188364183904,
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"volume": 668.419843086048,
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"formula_full": "Li6 Mo4 P10 O36",
"formula_reduced": "Li3Mo2P5O18",
"formula_anonymous": "A2B3C5D18",
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"spacegroup": 2
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{
"id": "mp-821758",
"created_at": "2022-09-04T14:45:13.442328Z",
"structure_string": "Li6 V4 P10 O36\n1.0\n9.331553 0.000000 0.000000\n-1.061126 10.523677 0.000000\n-0.213804 -0.367134 6.425465\nLi V P O\n6 4 10 36\ndirect\n0.667066 0.126120 0.208594 Li\n0.401328 0.446938 0.731074 Li\n0.868542 0.994199 0.060880 Li\n0.332934 0.873880 0.791406 Li\n0.598672 0.553062 0.268926 Li\n0.131458 0.005801 0.939120 Li\n0.409375 0.227375 0.345647 V\n0.047670 0.669517 0.228081 V\n0.952330 0.330483 0.771919 V\n0.590625 0.772625 0.654353 V\n0.896909 0.829667 0.727495 P\n0.351460 0.721872 0.414745 P\n0.202374 0.515094 0.955487 P\n0.602443 0.779994 0.990922 P\n0.825845 0.830186 0.416519 P\n0.397557 0.220006 0.009078 P\n0.103091 0.170333 0.272505 P\n0.174155 0.169814 0.583481 P\n0.797626 0.484906 0.044513 P\n0.648540 0.278128 0.585255 P\n0.683909 0.581420 0.953208 O\n0.519767 0.781934 0.836618 O\n0.903618 0.909886 0.569607 O\n0.100385 0.331605 0.918580 O\n0.249638 0.609726 0.825400 O\n0.899615 0.668395 0.081420 O\n0.526384 0.724604 0.112360 O\n0.190353 0.994381 0.682439 O\n0.597858 0.063139 0.640444 O\n0.955212 0.016429 0.823618 O\n0.068975 0.313443 0.635455 O\n0.599043 0.262478 0.421899 O\n0.931025 0.686557 0.364545 O\n0.044788 0.983571 0.176382 O\n0.473616 0.275396 0.887640 O\n0.480233 0.218066 0.163382 O\n0.701136 0.718815 0.453035 O\n0.310462 0.026923 0.982198 O\n0.792536 0.306881 0.624782 O\n0.207464 0.693119 0.375218 O\n0.096382 0.090114 0.430393 O\n0.242508 0.214611 0.251424 O\n0.030468 0.364414 0.240252 O\n0.757492 0.785389 0.748576 O\n0.298864 0.281185 0.546965 O\n0.850238 0.334585 0.932970 O\n0.149762 0.665415 0.067030 O\n0.750362 0.390274 0.174600 O\n0.689538 0.973077 0.017802 O\n0.580881 0.465099 0.649810 O\n0.809647 0.005619 0.317561 O\n0.969532 0.635586 0.759748 O\n0.400957 0.737522 0.578101 O\n0.316091 0.418580 0.046792 O\n0.419119 0.534901 0.350190 O\n0.402142 0.936861 0.359556 O\n",
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"formula_full": "Li6 V4 P10 O36",
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{
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"created_at": "2022-09-04T14:45:16.966228Z",
"structure_string": "Pr1 Al1 O3\n1.0\n3.790218 0.000000 0.000000\n0.000000 3.790218 0.000000\n0.000000 0.000000 3.790218\nPr Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"density": 6.583908721151819,
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"volume": 54.44933366175823,
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"formula_full": "Pr1 Al1 O3",
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{
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"structure_string": "Zr1 Cu2 P2\n1.0\n1.910577 -3.309217 0.000000\n1.910577 3.309217 0.000000\n0.000000 0.000000 6.166242\nZr Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.359393 Cu\n0.333333 0.666667 0.640607 Cu\n0.666667 0.333333 0.748453 P\n0.333333 0.666667 0.251547 P\n",
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{
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"structure_string": "Sr7 Pr1 Fe4 Mo4 O24\n1.0\n5.618647 0.000000 0.000000\n-2.806680 -4.940254 0.000000\n0.012807 2.972184 -18.558422\nSr Pr Fe Mo O\n7 1 4 4 24\ndirect\n0.063524 0.744748 0.191633 Sr\n0.813808 0.749123 0.436796 Sr\n0.565933 0.751299 0.691035 Sr\n0.309323 0.756988 0.929933 Sr\n0.432349 0.250274 0.311859 Sr\n0.693618 0.248593 0.066501 Sr\n0.187577 0.250220 0.561355 Sr\n0.939851 0.254713 0.809693 Pr\n0.754789 0.001105 0.250543 Fe\n0.496219 0.999505 0.500455 Fe\n0.249799 0.995689 0.752153 Fe\n0.625655 0.507757 0.870729 Fe\n0.002386 0.007075 0.996330 Mo\n0.376463 0.501136 0.125550 Mo\n0.123990 0.497461 0.376231 Mo\n0.875453 0.499371 0.625120 Mo\n0.186652 0.261523 0.058792 O\n0.927635 0.246098 0.313901 O\n0.693201 0.244941 0.563982 O\n0.445331 0.249641 0.812319 O\n0.607404 0.285182 0.177214 O\n0.365921 0.288466 0.428497 O\n0.109276 0.301060 0.676542 O\n0.872077 0.296145 0.919347 O\n0.671809 0.809138 0.046935 O\n0.397818 0.773651 0.306730 O\n0.157616 0.788741 0.552461 O\n0.906352 0.825494 0.801614 O\n0.556764 0.749505 0.187264 O\n0.320714 0.746464 0.439586 O\n0.053381 0.740061 0.690748 O\n0.813030 0.758987 0.934220 O\n0.088359 0.197968 0.200196 O\n0.853698 0.215489 0.447676 O\n0.603926 0.206451 0.702336 O\n0.339806 0.202818 0.949631 O\n0.133873 0.712990 0.072325 O\n0.882660 0.704022 0.323970 O\n0.647791 0.701920 0.575339 O\n0.354170 0.678187 0.822458 O\n",
"nsites": 40,
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"formula_full": "Sr7 Pr1 Fe4 Mo4 O24",
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{
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{
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{
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"formula_full": "Zr3 As3 Ru3",
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{
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}