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{
"id": "mp-1218270",
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"structure_string": "Sr1 Eu1 Se1 S1\n1.0\n7.196303 -2.162855 0.000000\n7.196303 2.162855 0.000000\n6.546255 0.000000 3.689344\nSr Eu Se S\n1 1 1 1\ndirect\n0.496826 0.496826 0.496826 Sr\n0.003349 0.003349 0.003349 Eu\n0.251991 0.251991 0.251991 Se\n0.747835 0.747835 0.747835 S\n",
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{
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"structure_string": "V11 Fe1 B8\n1.0\n3.029399 0.000000 0.000000\n0.000000 5.697449 0.000000\n0.000000 0.009807 11.373431\nV Fe B\n11 1 8\ndirect\n0.500000 0.823113 0.411852 V\n0.500000 0.821780 0.910467 V\n0.500000 0.176887 0.588148 V\n0.500000 0.178220 0.089533 V\n0.500000 0.677557 0.659255 V\n0.500000 0.677826 0.162279 V\n0.500000 0.322443 0.340745 V\n0.500000 0.322174 0.837721 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000138 0.748546 V\n0.000000 0.999862 0.251454 V\n0.000000 0.500000 0.500000 Fe\n0.000000 0.390171 0.690896 B\n0.000000 0.388697 0.196449 B\n0.000000 0.609829 0.309104 B\n0.000000 0.611303 0.803551 B\n0.000000 0.113767 0.445124 B\n0.000000 0.111040 0.944382 B\n0.000000 0.886233 0.554876 B\n0.000000 0.888960 0.055618 B\n",
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{
"id": "mp-560886",
"created_at": "2022-09-04T14:40:24.466863Z",
"structure_string": "Sr4 Si8 O20\n1.0\n2.646978 -4.691486 0.000000\n2.646978 4.691486 0.000000\n0.000000 0.000000 13.669367\nSr Si O\n4 8 20\ndirect\n0.660740 0.339260 0.916087 Sr\n0.160740 0.839260 0.583913 Sr\n0.339260 0.660740 0.083913 Sr\n0.839260 0.160740 0.416087 Sr\n0.494250 0.505750 0.638549 Si\n0.005750 0.994250 0.138549 Si\n0.173844 0.826156 0.316397 Si\n0.994250 0.005750 0.861451 Si\n0.826156 0.173844 0.683603 Si\n0.505750 0.494250 0.361451 Si\n0.326156 0.673844 0.816397 Si\n0.673844 0.326156 0.183603 Si\n0.834987 0.165013 0.102625 O\n0.844401 0.664695 0.406174 O\n0.164695 0.344401 0.906174 O\n0.165013 0.834987 0.897375 O\n0.334987 0.665013 0.397375 O\n0.665013 0.334987 0.602625 O\n0.488235 0.511765 0.756927 O\n0.664695 0.844401 0.593826 O\n0.011765 0.988235 0.256927 O\n0.335305 0.155599 0.406174 O\n0.344401 0.164695 0.093826 O\n0.003462 0.496538 0.750000 O\n0.155599 0.335305 0.593826 O\n0.655599 0.835305 0.906174 O\n0.835305 0.655599 0.093826 O\n0.988235 0.011765 0.743073 O\n0.996538 0.503462 0.250000 O\n0.496538 0.003462 0.250000 O\n0.511765 0.488235 0.243073 O\n0.503462 0.996538 0.750000 O\n",
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],
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"density": 4.378312218316385,
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"volume": 339.4995131518304,
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"formula_full": "Sr4 Si8 O20",
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"spacegroup": 64
},
{
"id": "mp-1179600",
"created_at": "2022-09-04T14:40:24.466844Z",
"structure_string": "Zn4 H64 C16 S16 N40 O24\n1.0\n24.717328 0.000000 0.000000\n0.000000 10.454229 -0.000000\n0.000000 -0.000000 9.113946\nZn H C S N O\n4 64 16 16 40 24\ndirect\n0.469575 0.750000 0.750000 Zn\n0.030425 0.250000 0.250000 Zn\n0.530425 0.250000 0.250000 Zn\n0.969575 0.750000 0.750000 Zn\n0.689597 0.114181 0.759736 H\n0.689597 0.385819 0.740264 H\n0.810403 0.885819 0.259736 H\n0.810403 0.614181 0.240264 H\n0.310403 0.885819 0.240264 H\n0.310403 0.614181 0.259736 H\n0.189597 0.114181 0.740264 H\n0.189597 0.385819 0.759736 H\n0.634120 0.152833 0.873541 H\n0.634120 0.347167 0.626459 H\n0.865880 0.847167 0.373541 H\n0.865880 0.652833 0.126459 H\n0.365880 0.847167 0.126459 H\n0.365880 0.652833 0.373541 H\n0.134120 0.152833 0.626459 H\n0.134120 0.347167 0.873541 H\n0.634819 0.826972 0.627321 H\n0.634819 0.673028 0.872679 H\n0.865181 0.173028 0.127321 H\n0.865181 0.326972 0.372679 H\n0.365181 0.173028 0.372679 H\n0.365181 0.326972 0.127321 H\n0.134819 0.826972 0.872679 H\n0.134819 0.673028 0.627321 H\n0.692233 0.920314 0.641671 H\n0.692233 0.579686 0.858329 H\n0.807767 0.079686 0.141671 H\n0.807767 0.420314 0.358329 H\n0.307767 0.079686 0.358329 H\n0.307767 0.420314 0.141671 H\n0.192233 0.920314 0.858329 H\n0.192233 0.579686 0.641671 H\n0.424632 0.364031 0.708606 H\n0.424632 0.135969 0.791394 H\n0.075368 0.635969 0.208606 H\n0.075368 0.864031 0.291394 H\n0.575368 0.635969 0.291394 H\n0.575368 0.864031 0.208606 H\n0.924632 0.364031 0.791394 H\n0.924632 0.135969 0.708606 H\n0.449029 0.395208 0.742251 H\n0.449029 0.104792 0.757749 H\n0.050971 0.604792 0.242252 H\n0.050971 0.895208 0.257748 H\n0.550971 0.604792 0.257748 H\n0.550971 0.895208 0.242252 H\n0.949029 0.395208 0.757749 H\n0.949029 0.104792 0.742251 H\n0.296571 0.629832 0.902359 H\n0.296571 0.870168 0.597641 H\n0.203429 0.370168 0.402359 H\n0.203429 0.129832 0.097641 H\n0.703429 0.370168 0.097641 H\n0.703429 0.129832 0.402359 H\n0.796571 0.629832 0.597641 H\n0.796571 0.870168 0.902359 H\n0.306761 0.513368 0.759429 H\n0.306761 0.986632 0.740571 H\n0.193239 0.486632 0.259429 H\n0.193239 0.013368 0.240571 H\n0.693239 0.486632 0.240571 H\n0.693239 0.013368 0.259429 H\n0.806761 0.513368 0.740571 H\n0.806761 0.986632 0.759429 H\n0.374818 0.598022 0.839312 C\n0.374818 0.901978 0.660688 C\n0.125182 0.401978 0.339312 C\n0.125182 0.098022 0.160688 C\n0.625182 0.401978 0.160688 C\n0.625182 0.098022 0.339312 C\n0.874818 0.598022 0.660688 C\n0.874818 0.901978 0.839312 C\n0.626552 0.985663 0.759506 C\n0.626552 0.514337 0.740494 C\n0.873448 0.014337 0.259506 C\n0.873448 0.485663 0.240494 C\n0.373448 0.014337 0.240494 C\n0.373448 0.485663 0.259506 C\n0.126552 0.985663 0.740494 C\n0.126552 0.514337 0.759506 C\n0.417449 0.677156 0.945127 S\n0.417449 0.822844 0.554873 S\n0.082551 0.322844 0.445127 S\n0.082551 0.177156 0.054873 S\n0.582551 0.322844 0.054873 S\n0.582551 0.177156 0.445127 S\n0.917449 0.677156 0.554873 S\n0.917449 0.822844 0.945127 S\n0.552541 0.828163 0.847395 S\n0.552541 0.671837 0.652605 S\n0.947459 0.171837 0.347395 S\n0.947459 0.328163 0.152605 S\n0.447459 0.171837 0.152605 S\n0.447459 0.328163 0.347395 S\n0.052541 0.828163 0.652605 S\n0.052541 0.671837 0.847395 S\n0.651451 0.095533 0.797141 N\n0.651451 0.404467 0.702859 N\n0.848549 0.904467 0.297141 N\n0.848549 0.595533 0.202859 N\n0.348549 0.904467 0.202859 N\n0.348549 0.595533 0.297141 N\n0.151451 0.095533 0.702859 N\n0.151451 0.404467 0.797141 N\n0.654087 0.901074 0.676927 N\n0.654087 0.598926 0.823073 N\n0.845913 0.098926 0.176927 N\n0.845913 0.401074 0.323073 N\n0.345913 0.098926 0.323073 N\n0.345913 0.401074 0.176927 N\n0.154087 0.901074 0.823073 N\n0.154087 0.598926 0.676927 N\n0.574886 0.531024 0.698824 N\n0.574886 0.968976 0.801176 N\n0.925114 0.468976 0.198824 N\n0.925114 0.031024 0.301176 N\n0.425114 0.468976 0.301176 N\n0.425114 0.031024 0.198824 N\n0.074886 0.531024 0.801176 N\n0.074886 0.968976 0.698824 N\n0.323682 0.578090 0.834348 N\n0.323682 0.921910 0.665652 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{
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"structure_string": "Cu4 S8\n1.0\n5.563211 0.000000 0.000000\n0.000000 5.664288 0.000000\n0.000000 0.000000 7.031274\nCu S\n4 8\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.610506 0.112397 0.073469 S\n0.110506 0.387603 0.926531 S\n0.389494 0.612397 0.426531 S\n0.889494 0.887603 0.573469 S\n0.110506 0.112397 0.426531 S\n0.610506 0.387603 0.573469 S\n0.889494 0.612397 0.073469 S\n0.389494 0.887603 0.926531 S\n",
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{
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"structure_string": "Gd1 Er3 Mn8\n1.0\n-2.445581 -4.237301 0.017047\n-2.445581 4.237301 -0.017047\n0.000000 0.032155 -7.913811\nGd Er Mn\n1 3 8\ndirect\n0.666675 0.333325 0.562661 Gd\n0.333383 0.666617 0.436861 Er\n0.333371 0.666629 0.063102 Er\n0.666648 0.333352 0.937045 Er\n0.000046 0.999954 0.499701 Mn\n0.999985 0.000015 0.000547 Mn\n0.168457 0.336768 0.750878 Mn\n0.168445 0.831555 0.750813 Mn\n0.663232 0.831543 0.750878 Mn\n0.831295 0.662987 0.249182 Mn\n0.831449 0.168551 0.249150 Mn\n0.337013 0.168705 0.249182 Mn\n",
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{
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{
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{
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{
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{
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{
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}