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{
"id": "mp-1187723",
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{
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{
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"structure_string": "Mn8 Be6 Si6 S2 O24\n1.0\n8.386658 0.000000 0.000000\n0.000000 8.386658 0.000000\n0.000000 0.000000 8.386658\nMn Be Si S O\n8 6 6 2 24\ndirect\n0.671270 0.671270 0.671270 Mn\n0.828730 0.171270 0.828730 Mn\n0.171270 0.828730 0.828730 Mn\n0.828730 0.828730 0.171270 Mn\n0.671270 0.328730 0.328730 Mn\n0.328730 0.328730 0.671270 Mn\n0.328730 0.671270 0.328730 Mn\n0.171270 0.171270 0.171270 Mn\n0.500000 0.750000 0.000000 Be\n0.500000 0.250000 0.000000 Be\n0.000000 0.500000 0.250000 Be\n0.000000 0.500000 0.750000 Be\n0.250000 0.000000 0.500000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.000000 0.250000 Si\n0.500000 0.000000 0.750000 Si\n0.000000 0.250000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.000000 0.750000 0.500000 Si\n0.750000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.358394 0.641670 0.081764 O\n0.141670 0.858394 0.581764 O\n0.141670 0.141606 0.418236 O\n0.358330 0.918236 0.358394 O\n0.358330 0.081764 0.641606 O\n0.081764 0.358394 0.641670 O\n0.918236 0.358394 0.358330 O\n0.641606 0.358330 0.081764 O\n0.418236 0.858330 0.858394 O\n0.418236 0.141670 0.141606 O\n0.141606 0.418236 0.141670 O\n0.858394 0.581764 0.141670 O\n0.641670 0.918236 0.641606 O\n0.858394 0.418236 0.858330 O\n0.581764 0.858330 0.141606 O\n0.581764 0.141670 0.858394 O\n0.918236 0.641606 0.641670 O\n0.141606 0.581764 0.858330 O\n0.858330 0.141606 0.581764 O\n0.858330 0.858394 0.418236 O\n0.358394 0.358330 0.918236 O\n0.641606 0.641670 0.918236 O\n0.081764 0.641606 0.358330 O\n0.641670 0.081764 0.358394 O\n",
"nsites": 46,
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"elements": [
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"formula_full": "Mn8 Be6 Si6 S2 O24",
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"spacegroup": 218
},
{
"id": "mp-1188496",
"created_at": "2022-09-04T14:47:19.049545Z",
"structure_string": "Dy4 Co14\n1.0\n-2.473927 -4.284968 0.000000\n-4.947854 0.000000 0.000000\n-2.473927 -1.428323 -12.063698\nDy Co\n4 14\ndirect\n0.948216 0.948216 0.155351 Dy\n0.051784 0.051784 0.844649 Dy\n0.851539 0.851539 0.445383 Dy\n0.148461 0.148461 0.554617 Dy\n0.500000 0.500000 0.500000 Co\n0.721319 0.721319 0.836042 Co\n0.278681 0.278681 0.163958 Co\n0.611590 0.611590 0.165231 Co\n0.388410 0.388410 0.834769 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.390967 0.390967 0.326926 Co\n0.891141 0.390967 0.326926 Co\n0.390967 0.891141 0.326926 Co\n0.609033 0.609033 0.673074 Co\n0.108859 0.609033 0.673074 Co\n0.609033 0.108859 0.673074 Co\n",
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"formula_full": "Dy4 Co14",
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},
{
"id": "mp-1227036",
"created_at": "2022-09-04T14:47:19.104453Z",
"structure_string": "Cs4 Na4 Sn2 Ge2 F24\n1.0\n-6.679984 0.000000 0.000000\n0.000000 0.000000 -8.619011\n0.000000 -11.320648 0.000000\nCs Na Sn Ge F\n4 4 2 2 24\ndirect\n0.821934 0.495504 0.750285 Cs\n0.178066 0.004496 0.250285 Cs\n0.178066 0.495504 0.250285 Cs\n0.821934 0.004496 0.750285 Cs\n0.297062 0.250000 0.928149 Na\n0.703695 0.750000 0.071973 Na\n0.296305 0.750000 0.571973 Na\n0.702938 0.250000 0.428149 Na\n0.270235 0.750000 0.921066 Sn\n0.729765 0.750000 0.421066 Sn\n0.731662 0.250000 0.078353 Ge\n0.268338 0.250000 0.578353 Ge\n0.994866 0.250000 0.030078 F\n0.985225 0.750000 0.972519 F\n0.014775 0.750000 0.472519 F\n0.005134 0.250000 0.530078 F\n0.183611 0.250000 0.733580 F\n0.828693 0.750000 0.253870 F\n0.171307 0.750000 0.753870 F\n0.816389 0.250000 0.233580 F\n0.648002 0.250000 0.921555 F\n0.362389 0.750000 0.091263 F\n0.637611 0.750000 0.591263 F\n0.351998 0.250000 0.421555 F\n0.464778 0.250000 0.122377 F\n0.561711 0.750000 0.875675 F\n0.438289 0.750000 0.375675 F\n0.535222 0.250000 0.622377 F\n0.733407 0.461773 0.077905 F\n0.265197 0.981198 0.921630 F\n0.734803 0.518802 0.421630 F\n0.266593 0.038227 0.577905 F\n0.265197 0.518802 0.921630 F\n0.733407 0.038227 0.077905 F\n0.266593 0.461773 0.577905 F\n0.734803 0.981198 0.421630 F\n",
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"spacegroup": 26
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{
"id": "mp-1216484",
"created_at": "2022-09-04T14:47:19.104185Z",
"structure_string": "Y4 Fe29 Si5\n1.0\n4.209842 2.431401 4.145299\n-4.203542 2.383103 4.166621\n-0.077464 -9.669542 8.335001\nY Fe Si\n4 29 5\ndirect\n0.653684 0.654979 0.326220 Y\n0.659477 0.650373 0.826640 Y\n0.340523 0.349627 0.173360 Y\n0.346316 0.345021 0.673780 Y\n0.309518 0.694393 0.998967 Fe\n0.300041 0.700126 0.499767 Fe\n0.690538 0.003179 0.151751 Fe\n0.699727 0.999813 0.651223 Fe\n0.998951 0.296537 0.351446 Fe\n0.000849 0.289999 0.855219 Fe\n0.300273 0.000187 0.348777 Fe\n0.309462 0.996821 0.848249 Fe\n0.999151 0.710001 0.144781 Fe\n0.001049 0.703463 0.648554 Fe\n0.699959 0.299874 0.500233 Fe\n0.690482 0.305607 0.001033 Fe\n0.339247 0.339095 0.421831 Fe\n0.336243 0.335301 0.924960 Fe\n0.335530 0.849501 0.167540 Fe\n0.340293 0.844793 0.669518 Fe\n0.835914 0.344409 0.171090 Fe\n0.844807 0.339345 0.670703 Fe\n0.663757 0.664699 0.075040 Fe\n0.660753 0.660905 0.578169 Fe\n0.659707 0.155207 0.330482 Fe\n0.664470 0.150499 0.832460 Fe\n0.155193 0.660655 0.329297 Fe\n0.164086 0.655591 0.828910 Fe\n0.998200 0.001366 0.249685 Fe\n0.001800 0.998634 0.750315 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Si\n0.898844 0.898517 0.449344 Si\n0.924371 0.889207 0.944717 Si\n0.075629 0.110793 0.055283 Si\n0.101156 0.101483 0.550656 Si\n",
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{
"id": "mp-675532",
"created_at": "2022-09-04T14:47:19.105260Z",
"structure_string": "La2 Ti12 O24\n1.0\n6.707377 0.000000 0.000000\n-3.201348 -6.546433 0.000000\n-1.434131 0.367543 -9.652643\nLa Ti O\n2 12 24\ndirect\n0.254191 0.558840 0.440128 La\n0.745809 0.441160 0.559872 La\n0.854360 0.438599 0.113892 Ti\n0.273814 0.108434 0.329004 Ti\n0.069400 0.906379 0.922263 Ti\n0.726186 0.891566 0.670996 Ti\n0.430150 0.925722 0.151409 Ti\n0.145640 0.561401 0.886108 Ti\n0.209569 0.970931 0.622584 Ti\n0.378952 0.400447 0.757923 Ti\n0.621048 0.599553 0.242077 Ti\n0.790431 0.029069 0.377416 Ti\n0.569850 0.074278 0.848591 Ti\n0.930600 0.093621 0.077737 Ti\n0.430632 0.562206 0.900299 O\n0.304102 0.228840 0.557142 O\n0.816820 0.988470 0.872326 O\n0.929942 0.638272 0.980684 O\n0.037624 0.218110 0.296416 O\n0.441426 0.900773 0.667431 O\n0.660657 0.153689 0.055737 O\n0.070058 0.361728 0.019316 O\n0.536812 0.598232 0.639738 O\n0.268129 0.122146 0.816707 O\n0.183180 0.011530 0.127674 O\n0.695898 0.771160 0.442858 O\n0.842463 0.125668 0.566689 O\n0.666982 0.332980 0.781253 O\n0.569368 0.437794 0.099701 O\n0.114784 0.464101 0.703159 O\n0.885216 0.535899 0.296841 O\n0.333018 0.667020 0.218747 O\n0.157537 0.874332 0.433311 O\n0.731871 0.877854 0.183293 O\n0.463188 0.401768 0.360262 O\n0.339343 0.846311 0.944263 O\n0.558574 0.099227 0.332569 O\n0.962376 0.781890 0.703584 O\n",
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{
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"structure_string": "Mg8 Si4\n1.0\n5.514392 0.000000 0.000000\n0.679679 6.145440 0.000000\n2.404976 0.300569 7.139983\nMg Si\n8 4\ndirect\n0.230253 0.633269 0.517616 Mg\n0.802966 0.919855 0.898247 Mg\n0.763924 0.874747 0.451338 Mg\n0.823918 0.423670 0.866111 Mg\n0.236076 0.125253 0.548662 Mg\n0.197034 0.080145 0.101753 Mg\n0.176082 0.576330 0.133889 Mg\n0.769747 0.366731 0.482384 Mg\n0.616611 0.202600 0.207688 Si\n0.359336 0.394288 0.796528 Si\n0.383389 0.797400 0.792312 Si\n0.640664 0.605712 0.203472 Si\n",
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{
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"created_at": "2022-09-04T14:47:19.022805Z",
"structure_string": "Ba12 Mn1 Ru5 Cl4 O24\n1.0\n2.958600 -5.124446 0.000000\n2.958600 5.124446 0.000000\n0.000000 0.000000 30.102537\nBa Mn Ru Cl O\n12 1 5 4 24\ndirect\n0.333333 0.666667 0.893162 Ba\n0.333333 0.666667 0.395067 Ba\n0.666667 0.333333 0.604933 Ba\n0.666667 0.333333 0.106838 Ba\n0.333333 0.666667 0.682042 Ba\n0.333333 0.666667 0.181682 Ba\n0.666667 0.333333 0.818318 Ba\n0.666667 0.333333 0.317958 Ba\n0.333333 0.666667 0.538356 Ba\n0.333333 0.666667 0.039632 Ba\n0.666667 0.333333 0.960368 Ba\n0.666667 0.333333 0.461644 Ba\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.912372 Ru\n0.000000 0.000000 0.410664 Ru\n0.000000 0.000000 0.589336 Ru\n0.000000 0.000000 0.087628 Ru\n0.000000 0.000000 0.000000 Ru\n0.333333 0.666667 0.789020 Cl\n0.333333 0.666667 0.289393 Cl\n0.666667 0.333333 0.710607 Cl\n0.666667 0.333333 0.210980 Cl\n0.317791 0.158896 0.879592 O\n0.321313 0.160657 0.379508 O\n0.841104 0.682209 0.879592 O\n0.839343 0.678687 0.379508 O\n0.841104 0.158896 0.879592 O\n0.839343 0.160657 0.379508 O\n0.678687 0.839343 0.620492 O\n0.682209 0.841104 0.120408 O\n0.160657 0.321313 0.620492 O\n0.158896 0.317791 0.120408 O\n0.160657 0.839343 0.620492 O\n0.158896 0.841104 0.120408 O\n0.297326 0.148663 0.540485 O\n0.309396 0.154698 0.041356 O\n0.851337 0.702674 0.540485 O\n0.845302 0.690604 0.041356 O\n0.851337 0.148663 0.540485 O\n0.845302 0.154698 0.041356 O\n0.690604 0.845302 0.958644 O\n0.702674 0.851337 0.459515 O\n0.154698 0.309396 0.958644 O\n0.148663 0.297326 0.459515 O\n0.154698 0.845302 0.958644 O\n0.148663 0.851337 0.459515 O\n",
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