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{
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{
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{
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"structure_string": "Na4 Ru8 O16\n1.0\n2.813427 0.000000 0.000000\n0.000000 9.530685 0.000000\n0.000000 0.000000 11.278845\nNa Ru O\n4 8 16\ndirect\n0.250000 0.240846 0.655817 Na\n0.250000 0.740846 0.844183 Na\n0.750000 0.759154 0.344183 Na\n0.750000 0.259154 0.155817 Na\n0.250000 0.060462 0.883317 Ru\n0.250000 0.560462 0.616683 Ru\n0.750000 0.939538 0.116683 Ru\n0.750000 0.439538 0.383317 Ru\n0.250000 0.085377 0.394782 Ru\n0.250000 0.585377 0.105218 Ru\n0.750000 0.914623 0.605218 Ru\n0.750000 0.414623 0.894782 Ru\n0.250000 0.290862 0.339998 O\n0.250000 0.790862 0.160002 O\n0.750000 0.709138 0.660002 O\n0.750000 0.209138 0.839998 O\n0.250000 0.390272 0.027836 O\n0.250000 0.890272 0.472164 O\n0.750000 0.609728 0.972164 O\n0.750000 0.109728 0.527836 O\n0.250000 0.472189 0.777622 O\n0.250000 0.972189 0.722378 O\n0.750000 0.527811 0.222378 O\n0.750000 0.027811 0.277622 O\n0.250000 0.085723 0.063091 O\n0.250000 0.585723 0.436909 O\n0.750000 0.914277 0.936909 O\n0.750000 0.414277 0.563091 O\n",
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{
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{
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"structure_string": "Ca2 Zr8 O18\n1.0\n1.753525 15.683948 0.000000\n-1.753525 15.683948 0.000000\n0.000000 0.393074 6.490645\nCa Zr O\n2 8 18\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.093143 0.093143 0.820903 Zr\n0.605376 0.605376 0.296840 Zr\n0.906857 0.906857 0.179097 Zr\n0.702659 0.702659 0.600949 Zr\n0.394624 0.394624 0.703160 Zr\n0.297341 0.297341 0.399051 Zr\n0.199616 0.199616 0.100415 Zr\n0.800384 0.800384 0.899585 Zr\n0.572508 0.572508 0.028623 O\n0.971615 0.971615 0.204071 O\n0.071461 0.071461 0.393482 O\n0.387834 0.387834 0.349816 O\n0.928539 0.928539 0.606518 O\n0.028385 0.028385 0.795929 O\n0.866880 0.866880 0.912158 O\n0.768804 0.768804 0.617543 O\n0.328465 0.328465 0.681331 O\n0.180926 0.180926 0.733920 O\n0.427492 0.427492 0.971377 O\n0.280095 0.280095 0.039345 O\n0.719905 0.719905 0.960655 O\n0.819074 0.819074 0.266080 O\n0.671535 0.671535 0.318669 O\n0.133120 0.133120 0.087842 O\n0.231196 0.231196 0.382457 O\n0.612166 0.612166 0.650184 O\n",
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{
"id": "mp-1036619",
"created_at": "2022-09-04T14:39:23.176834Z",
"structure_string": "Mg14 Al1 Co1 O16\n1.0\n4.241922 0.000000 0.000000\n0.000000 8.498299 0.000000\n0.000000 0.000000 8.524496\nMg Al Co O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.256480 Mg\n0.500000 0.000000 0.743520 Mg\n0.500000 0.500000 0.252271 Mg\n0.500000 0.500000 0.747729 Mg\n0.500000 0.249412 0.000000 Mg\n0.500000 0.245919 0.500000 Mg\n0.500000 0.750588 0.000000 Mg\n0.500000 0.754081 0.500000 Mg\n0.000000 0.247407 0.255429 Mg\n0.000000 0.247407 0.744571 Mg\n0.000000 0.752593 0.255429 Mg\n0.000000 0.752593 0.744571 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.235454 0.000000 O\n0.000000 0.260714 0.500000 O\n0.000000 0.764546 0.000000 O\n0.000000 0.739286 0.500000 O\n0.500000 0.248888 0.249156 O\n0.500000 0.248888 0.750844 O\n0.500000 0.751112 0.249156 O\n0.500000 0.751112 0.750844 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.218227 O\n0.000000 0.000000 0.781773 O\n0.000000 0.500000 0.244321 O\n0.000000 0.500000 0.755679 O\n",
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{
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{
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{
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"formula_full": "Mg1 Fe4 O8",
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},
{
"id": "mp-1154753",
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"structure_string": "Mg4 Co4 Si8 O24\n1.0\n5.170545 0.083821 1.156035\n1.380054 6.529658 0.546751\n-4.945020 -0.246060 12.233366\nMg Co Si O\n4 4 8 24\ndirect\n0.127693 0.244709 0.377608 Mg\n0.627564 0.244729 0.877663 Mg\n0.372411 0.755271 0.122336 Mg\n0.872189 0.755286 0.622387 Mg\n0.199472 0.100776 0.949528 Co\n0.800519 0.899209 0.050463 Co\n0.699604 0.100985 0.449595 Co\n0.300340 0.898946 0.550380 Co\n0.439600 0.210243 0.193168 Si\n0.939653 0.210233 0.693209 Si\n0.648412 0.613595 0.394845 Si\n0.148462 0.613588 0.894881 Si\n0.851549 0.386416 0.105117 Si\n0.351607 0.386400 0.605156 Si\n0.060363 0.789760 0.306789 Si\n0.560415 0.789764 0.806832 Si\n0.689970 0.318872 0.192108 O\n0.189961 0.318946 0.692094 O\n0.342656 0.615760 0.340535 O\n0.842647 0.615732 0.840557 O\n0.810035 0.681075 0.307905 O\n0.310041 0.681137 0.807891 O\n0.157360 0.384264 0.159451 O\n0.657357 0.384241 0.659470 O\n0.438786 0.137879 0.309350 O\n0.938911 0.137965 0.809345 O\n0.801514 0.381282 0.431014 O\n0.301625 0.381337 0.931036 O\n0.061109 0.862040 0.190657 O\n0.561259 0.862148 0.690664 O\n0.698394 0.618671 0.068968 O\n0.198531 0.618746 0.568999 O\n0.864810 0.212198 0.015278 O\n0.364688 0.212291 0.515247 O\n0.044309 0.969514 0.393900 O\n0.544370 0.969553 0.893864 O\n0.455631 0.030454 0.106138 O\n0.955663 0.030514 0.606078 O\n0.635313 0.787681 0.484766 O\n0.135198 0.787793 0.984725 O\n",
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"density_atomic": 0.08908479415513253,
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"formula_full": "Mg4 Co4 Si8 O24",
"formula_reduced": "MgCo(SiO3)2",
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"updated_at": "2021-11-28T01:34:35.537000Z",
"spacegroup": 15
},
{
"id": "mp-603912",
"created_at": "2022-09-04T14:39:23.199726Z",
"structure_string": "Nd8 Mo4 C8\n1.0\n5.841313 0.000000 0.000000\n0.000000 5.841313 0.000000\n0.000000 0.000000 10.385413\nNd Mo C\n8 4 8\ndirect\n0.198145 0.801855 0.155954 Nd\n0.801855 0.198145 0.844046 Nd\n0.198145 0.801855 0.844046 Nd\n0.301855 0.301855 0.344046 Nd\n0.698145 0.698145 0.344046 Nd\n0.301855 0.301855 0.655954 Nd\n0.801855 0.198145 0.155954 Nd\n0.698145 0.698145 0.655954 Nd\n0.324059 0.324059 0.000000 Mo\n0.175941 0.824059 0.500000 Mo\n0.675941 0.675941 0.000000 Mo\n0.824059 0.175941 0.500000 Mo\n0.000000 0.500000 0.500000 C\n0.000000 0.000000 0.355955 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.644045 C\n0.500000 0.500000 0.855955 C\n0.500000 0.500000 0.144045 C\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
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"elements": [
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],
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"density": 7.655937336388569,
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"volume": 354.36002854903205,
"volume_molar": 10.67002985819945,
"formula_full": "Nd8 Mo4 C8",
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"updated_at": "2021-11-28T01:34:28.998000Z",
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}
]
}