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{
"id": "mp-752504",
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"structure_string": "V4 Sn4 O16\n1.0\n-3.119716 3.367790 4.718873\n-4.856672 -4.499255 0.000106\n7.059038 -2.749509 2.036414\nV Sn O\n4 4 16\ndirect\n0.124771 0.623816 0.249536 V\n0.874760 0.373804 0.749519 V\n0.624746 0.123797 0.249496 V\n0.374763 0.873788 0.749507 V\n0.249779 0.248799 0.499588 Sn\n0.749840 0.748854 0.499679 Sn\n0.499816 0.498817 0.999590 Sn\n0.999769 0.998780 0.999522 Sn\n0.831866 0.622765 0.249565 O\n0.331856 0.122773 0.249578 O\n0.081764 0.872734 0.749508 O\n0.581858 0.372756 0.749553 O\n0.417698 0.622769 0.249552 O\n0.917695 0.122783 0.249578 O\n0.667809 0.872800 0.749616 O\n0.167708 0.372777 0.749572 O\n0.999731 0.312887 0.999461 O\n0.499676 0.812799 0.999362 O\n0.249763 0.562887 0.499531 O\n0.749708 0.062876 0.499428 O\n0.249759 0.934460 0.499522 O\n0.749704 0.434369 0.499419 O\n0.499679 0.184381 0.999360 O\n0.999735 0.684393 0.999462 O\n",
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{
"id": "mp-1080495",
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"structure_string": "Zr3 Ga3 Pt3\n1.0\n3.599522 -6.234556 0.000000\n3.599522 6.234556 0.000000\n0.000000 0.000000 3.613654\nZr Ga Pt\n3 3 3\ndirect\n0.397293 0.397293 0.500000 Zr\n0.602707 0.000000 0.500000 Zr\n0.000000 0.602707 0.500000 Zr\n0.736282 0.736282 0.000000 Ga\n0.263718 0.000000 0.000000 Ga\n0.000000 0.263718 0.000000 Ga\n0.666667 0.333333 0.000000 Pt\n0.333333 0.666667 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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},
{
"id": "mp-777834",
"created_at": "2022-09-04T14:46:13.943619Z",
"structure_string": "Li6 Mn2 V2 P6 O24\n1.0\n4.458769 7.208772 0.000000\n-4.458769 7.208772 0.000000\n0.000000 4.830839 7.206136\nLi Mn V P O\n6 2 2 6 24\ndirect\n0.746560 0.872156 0.907141 Li\n0.004460 0.498718 0.751005 Li\n0.872329 0.744153 0.406786 Li\n0.127844 0.253440 0.092859 Li\n0.501282 0.995540 0.248995 Li\n0.255847 0.127671 0.593214 Li\n0.143028 0.638037 0.900388 Mn\n0.361963 0.856972 0.099612 Mn\n0.637865 0.144455 0.394148 V\n0.855545 0.362135 0.605852 V\n0.449980 0.247047 0.784989 P\n0.048266 0.951734 0.500000 P\n0.752953 0.550020 0.215011 P\n0.251665 0.450080 0.286228 P\n0.943386 0.056614 0.000000 P\n0.549920 0.748335 0.713772 P\n0.541712 0.809526 0.859992 O\n0.967950 0.892843 0.950441 O\n0.383344 0.678962 0.777795 O\n0.233693 0.944434 0.331001 O\n0.253579 0.387152 0.825017 O\n0.612848 0.746421 0.174983 O\n0.919131 0.541633 0.024573 O\n0.882973 0.980115 0.448922 O\n0.931801 0.242847 0.832214 O\n0.321038 0.616656 0.222205 O\n0.546072 0.910969 0.524576 O\n0.190474 0.458288 0.140008 O\n0.819359 0.529530 0.362600 O\n0.458367 0.080869 0.975427 O\n0.682013 0.387880 0.273899 O\n0.055566 0.766307 0.668999 O\n0.107157 0.032050 0.049559 O\n0.089031 0.453928 0.475424 O\n0.397503 0.256134 0.328916 O\n0.743866 0.602497 0.671084 O\n0.757153 0.068199 0.167786 O\n0.612119 0.317987 0.726101 O\n0.019885 0.117027 0.551078 O\n0.470470 0.180641 0.637400 O\n",
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"elements": [
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"volume": 463.24283703324033,
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"formula_full": "Li6 Mn2 V2 P6 O24",
"formula_reduced": "Li3MnV(PO4)3",
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"spacegroup": 5
},
{
"id": "mp-1517339",
"created_at": "2022-09-04T14:46:14.233472Z",
"structure_string": "Eu2 Ni1 Bi1 O6\n1.0\n-0.000000 -4.075596 -4.075596\n4.075596 0.000000 -4.075596\n4.075596 -4.075596 0.000000\nEu Ni Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.000000 0.000000 Bi\n0.744922 0.255078 0.255078 O\n0.255078 0.744922 0.744922 O\n0.744922 0.255078 0.744922 O\n0.255078 0.744922 0.255078 O\n0.744922 0.744922 0.255078 O\n0.255078 0.255078 0.744922 O\n",
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"elements": [
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"density": 8.187680303872186,
"density_atomic": 0.07385784339268357,
"volume": 135.39523415045463,
"volume_molar": 8.153691582871968,
"formula_full": "Eu2 Ni1 Bi1 O6",
"formula_reduced": "Eu2NiBiO6",
"formula_anonymous": "ABC2D6",
"energy": -80.41423329,
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"spacegroup": 225
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{
"id": "mp-627867",
"created_at": "2022-09-04T14:46:14.237642Z",
"structure_string": "Si16 H8 O36\n1.0\n0.000000 5.328434 14.981791\n5.296265 0.000000 14.981791\n5.296265 5.328434 0.000000\nSi H O\n16 8 36\ndirect\n0.458413 0.045978 0.041021 Si\n0.041021 0.454588 0.458413 Si\n0.204022 0.791587 0.795412 Si\n0.795412 0.208979 0.204022 Si\n0.033064 0.466936 0.033064 Si\n0.457376 0.042624 0.457376 Si\n0.783064 0.216936 0.783064 Si\n0.207376 0.792624 0.207376 Si\n0.875752 0.470362 0.825145 Si\n0.460650 0.881124 0.810007 Si\n0.779638 0.374248 0.421259 Si\n0.368876 0.789350 0.401782 Si\n0.810007 0.848218 0.460650 Si\n0.825145 0.828741 0.875752 Si\n0.401782 0.439993 0.368876 Si\n0.421259 0.424855 0.779638 Si\n0.101061 0.163925 0.869505 H\n0.086075 0.148939 0.384491 H\n0.869505 0.865509 0.101061 H\n0.384491 0.380495 0.086075 H\n0.676581 0.232280 0.473234 H\n0.017720 0.573419 0.632095 H\n0.473234 0.617905 0.676581 H\n0.632095 0.776766 0.017720 H\n0.956990 0.304609 0.875271 O\n0.283907 0.983834 0.874648 O\n0.945391 0.293010 0.386870 O\n0.266166 0.966093 0.392389 O\n0.874648 0.857611 0.283907 O\n0.875271 0.863130 0.956990 O\n0.392389 0.375352 0.266166 O\n0.386870 0.374729 0.945391 O\n0.276275 0.634091 0.782595 O\n0.637507 0.278950 0.345403 O\n0.615909 0.973725 0.942961 O\n0.971050 0.612493 0.511861 O\n0.635091 0.278052 0.749416 O\n0.281271 0.633799 0.307497 O\n0.971948 0.614909 0.912559 O\n0.616201 0.968729 0.472567 O\n0.345403 0.738139 0.637507 O\n0.782595 0.307039 0.276275 O\n0.511861 0.904597 0.971050 O\n0.942961 0.467405 0.615909 O\n0.749416 0.337441 0.635091 O\n0.307497 0.777433 0.281271 O\n0.912559 0.500584 0.971948 O\n0.472567 0.942503 0.616201 O\n0.832914 0.854296 0.653113 O\n0.395704 0.417086 0.590323 O\n0.653113 0.659677 0.832914 O\n0.590323 0.596887 0.395704 O\n0.746556 0.262111 0.993232 O\n0.249313 0.773755 0.986083 O\n0.987889 0.503444 0.251899 O\n0.476245 0.000687 0.259151 O\n0.986083 0.990849 0.249313 O\n0.993232 0.998101 0.746556 O\n0.259151 0.263917 0.476245 O\n0.251899 0.256768 0.987889 O\n",
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"formula_full": "Si16 H8 O36",
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"spacegroup": 43
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{
"id": "mp-849257",
"created_at": "2022-09-04T14:47:12.372972Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.376270 0.000000 0.000000\n0.000000 5.929548 0.000000\n0.000000 0.000000 11.296547\nLi Fe Si O\n4 4 4 16\ndirect\n0.174378 0.528615 0.169300 Li\n0.325622 0.528615 0.669300 Li\n0.674378 0.028615 0.330700 Li\n0.825622 0.028615 0.830700 Li\n0.826502 0.753391 0.576940 Fe\n0.673498 0.753391 0.076940 Fe\n0.173498 0.253391 0.423060 Fe\n0.326502 0.253391 0.923060 Fe\n0.324014 0.745452 0.417141 Si\n0.175986 0.745452 0.917141 Si\n0.675986 0.245452 0.582859 Si\n0.824014 0.245452 0.082859 Si\n0.233921 0.982635 0.845594 O\n0.266079 0.982635 0.345594 O\n0.872954 0.757941 0.939305 O\n0.173343 0.726329 0.544324 O\n0.627046 0.757941 0.439305 O\n0.326657 0.726329 0.044324 O\n0.251902 0.523909 0.836295 O\n0.248098 0.523909 0.336295 O\n0.766079 0.482635 0.154406 O\n0.733921 0.482635 0.654406 O\n0.826657 0.226329 0.455676 O\n0.372954 0.257941 0.560695 O\n0.673343 0.226329 0.955676 O\n0.127046 0.257941 0.060695 O\n0.751902 0.023909 0.663705 O\n0.748098 0.023909 0.163705 O\n",
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{
"id": "mp-760898",
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"structure_string": "Mn12 O7 F17\n1.0\n4.768302 0.000000 0.000000\n0.140435 5.762617 0.000000\n0.146254 0.051816 15.887797\nMn O F\n12 7 17\ndirect\n0.992004 0.155856 0.415116 Mn\n0.028466 0.838769 0.238042 Mn\n0.009667 0.159966 0.075561 Mn\n0.052223 0.171366 0.749245 Mn\n0.022436 0.853514 0.580641 Mn\n0.000938 0.857587 0.918457 Mn\n0.473429 0.321119 0.585055 Mn\n0.490587 0.330689 0.923596 Mn\n0.529905 0.340836 0.259361 Mn\n0.486762 0.649492 0.082407 Mn\n0.503195 0.665542 0.420410 Mn\n0.510123 0.630837 0.755062 Mn\n0.211243 0.096995 0.639900 O\n0.206364 0.121730 0.968929 O\n0.230278 0.888580 0.127259 O\n0.216110 0.899278 0.468599 O\n0.305691 0.387974 0.809842 O\n0.700823 0.382608 0.029486 O\n0.727379 0.387064 0.368857 O\n0.224976 0.118402 0.305914 F\n0.250023 0.876427 0.807117 F\n0.267139 0.396088 0.150930 F\n0.277788 0.618599 0.309685 F\n0.245157 0.400608 0.473594 F\n0.264664 0.602591 0.645218 F\n0.249486 0.614579 0.976449 F\n0.723752 0.618800 0.192671 F\n0.726002 0.625768 0.533196 F\n0.738718 0.614226 0.867235 F\n0.740784 0.380014 0.692886 F\n0.788270 0.125692 0.186345 F\n0.753630 0.114345 0.520657 F\n0.763926 0.891954 0.350721 F\n0.737567 0.882309 0.023804 F\n0.783906 0.120280 0.851028 F\n0.766585 0.859519 0.696724 F\n",
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{
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{
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