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{
"id": "mp-6250",
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"structure_string": "Ba4 Tm8 Zn4 O20\n1.0\n5.702348 0.000000 0.000000\n0.000000 7.064706 0.000000\n0.000000 0.000000 12.303519\nBa Tm Zn O\n4 8 4 20\ndirect\n0.750000 0.078181 0.101897 Ba\n0.750000 0.421819 0.601897 Ba\n0.250000 0.578181 0.398103 Ba\n0.250000 0.921819 0.898103 Ba\n0.250000 0.400542 0.074326 Tm\n0.750000 0.619439 0.208187 Tm\n0.750000 0.880561 0.708187 Tm\n0.250000 0.119439 0.291813 Tm\n0.750000 0.599458 0.925674 Tm\n0.750000 0.900542 0.425674 Tm\n0.250000 0.099458 0.574326 Tm\n0.250000 0.380561 0.791813 Tm\n0.250000 0.808521 0.150257 Zn\n0.750000 0.191479 0.849743 Zn\n0.750000 0.308521 0.349743 Zn\n0.250000 0.691479 0.650257 Zn\n0.250000 0.420762 0.601682 O\n0.750000 0.579238 0.398318 O\n0.750000 0.920762 0.898318 O\n0.250000 0.079238 0.101682 O\n0.998781 0.861176 0.275474 O\n0.498781 0.138824 0.724526 O\n0.001219 0.361176 0.224526 O\n0.501219 0.638824 0.775474 O\n0.001219 0.138824 0.724526 O\n0.501219 0.861176 0.275474 O\n0.998781 0.638824 0.775474 O\n0.498781 0.361176 0.224526 O\n0.500444 0.661323 0.066251 O\n0.000444 0.338677 0.933749 O\n0.499556 0.161323 0.433749 O\n0.999556 0.838677 0.566251 O\n0.000444 0.161323 0.433749 O\n0.500444 0.838677 0.566251 O\n0.999556 0.661323 0.066251 O\n0.499556 0.338677 0.933749 O\n",
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{
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"formula_full": "Eu2 Nb1 In1 O6",
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},
{
"id": "mp-1197402",
"created_at": "2022-09-04T14:43:03.017300Z",
"structure_string": "Fe8 Te8 O40\n1.0\n9.739149 0.000000 0.000000\n0.000000 8.009558 0.000000\n0.000000 2.484858 10.105250\nFe Te O\n8 8 40\ndirect\n0.486113 0.818092 0.458479 Fe\n0.986113 0.681908 0.541521 Fe\n0.513887 0.181908 0.541521 Fe\n0.013887 0.318092 0.458479 Fe\n0.391176 0.911041 0.113839 Fe\n0.891176 0.588959 0.886161 Fe\n0.608824 0.088959 0.886161 Fe\n0.108824 0.411041 0.113839 Fe\n0.165879 0.996879 0.294675 Te\n0.665879 0.503121 0.705325 Te\n0.834121 0.003121 0.705325 Te\n0.334121 0.496879 0.294675 Te\n0.282690 0.466266 0.654129 Te\n0.782690 0.033734 0.345871 Te\n0.717310 0.533734 0.345871 Te\n0.217310 0.966266 0.654129 Te\n0.496706 0.131474 0.057760 O\n0.996706 0.368526 0.942240 O\n0.503294 0.868526 0.942240 O\n0.003294 0.631474 0.057760 O\n0.142117 0.425133 0.901114 O\n0.642117 0.074867 0.098886 O\n0.857883 0.574867 0.098886 O\n0.357883 0.925133 0.901114 O\n0.055347 0.181878 0.207198 O\n0.555347 0.318122 0.792802 O\n0.944653 0.818122 0.792802 O\n0.444653 0.681878 0.207198 O\n0.362255 0.959863 0.313086 O\n0.862255 0.540137 0.686914 O\n0.637745 0.040137 0.686914 O\n0.137745 0.459863 0.313086 O\n0.350142 0.599027 0.452852 O\n0.850142 0.900973 0.547148 O\n0.649858 0.400973 0.547148 O\n0.149858 0.099027 0.452852 O\n0.197733 0.934372 0.130345 O\n0.697733 0.565628 0.869655 O\n0.802267 0.065628 0.869655 O\n0.302267 0.434372 0.130345 O\n0.205548 0.305793 0.840471 O\n0.705548 0.194207 0.159529 O\n0.794452 0.694207 0.159529 O\n0.294452 0.805793 0.840471 O\n0.394572 0.958269 0.574311 O\n0.894572 0.541731 0.425689 O\n0.605428 0.041731 0.425689 O\n0.105428 0.458269 0.574311 O\n0.543249 0.679837 0.635596 O\n0.043249 0.820163 0.364404 O\n0.456751 0.320163 0.364404 O\n0.956751 0.179837 0.635596 O\n0.155575 0.751621 0.624303 O\n0.655575 0.748379 0.375697 O\n0.844425 0.248379 0.375697 O\n0.344425 0.251621 0.624303 O\n",
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"volume": 788.2729487036613,
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"formula_full": "Fe8 Te8 O40",
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"updated_at": "2021-11-28T01:35:58.469000Z",
"spacegroup": 14
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{
"id": "mp-1186096",
"created_at": "2022-09-04T14:43:03.046343Z",
"structure_string": "Na6 Yb2\n1.0\n3.847322 -6.663757 0.000000\n3.847322 6.663757 0.000000\n0.000000 0.000000 6.037561\nNa Yb\n6 2\ndirect\n0.161307 0.322615 0.250000 Na\n0.677385 0.838693 0.250000 Na\n0.161307 0.838693 0.250000 Na\n0.838693 0.677385 0.750000 Na\n0.322615 0.161307 0.750000 Na\n0.838693 0.161307 0.750000 Na\n0.333333 0.666667 0.750000 Yb\n0.666667 0.333333 0.250000 Yb\n",
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"volume": 309.5773761127115,
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"formula_full": "Na6 Yb2",
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},
{
"id": "mp-1038436",
"created_at": "2022-09-04T14:43:03.065924Z",
"structure_string": "Mg30 B1 Sb1 O32\n1.0\n8.606933 0.000000 0.000000\n0.000000 8.606933 0.000000\n0.000000 0.000000 8.601158\nMg B Sb O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253746 0.000000 0.240469 Mg\n0.253746 0.000000 0.759531 Mg\n0.746254 0.000000 0.240469 Mg\n0.746254 0.000000 0.759531 Mg\n0.250156 0.500000 0.248188 Mg\n0.250156 0.500000 0.751812 Mg\n0.749844 0.500000 0.248188 Mg\n0.749844 0.500000 0.751812 Mg\n0.000000 0.253746 0.240469 Mg\n0.000000 0.253746 0.759531 Mg\n0.500000 0.250156 0.248188 Mg\n0.500000 0.250156 0.751812 Mg\n0.000000 0.746254 0.240469 Mg\n0.000000 0.746254 0.759531 Mg\n0.500000 0.749844 0.248188 Mg\n0.500000 0.749844 0.751812 Mg\n0.248131 0.248131 0.000000 Mg\n0.255451 0.255451 0.500000 Mg\n0.751869 0.248131 0.000000 Mg\n0.744549 0.255451 0.500000 Mg\n0.248131 0.751869 0.000000 Mg\n0.255451 0.744549 0.500000 Mg\n0.751869 0.751869 0.000000 Mg\n0.744549 0.744549 0.500000 Mg\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 Sb\n0.000000 0.266989 0.000000 O\n0.000000 0.263089 0.500000 O\n0.500000 0.252513 0.000000 O\n0.500000 0.252063 0.500000 O\n0.000000 0.733011 0.000000 O\n0.000000 0.736911 0.500000 O\n0.500000 0.747487 0.000000 O\n0.500000 0.747937 0.500000 O\n0.248886 0.248886 0.250790 O\n0.248886 0.248886 0.749210 O\n0.751114 0.248886 0.250790 O\n0.751114 0.248886 0.749210 O\n0.248886 0.751114 0.250790 O\n0.248886 0.751114 0.749210 O\n0.751114 0.751114 0.250790 O\n0.751114 0.751114 0.749210 O\n0.000000 0.000000 0.240796 O\n0.000000 0.000000 0.759204 O\n0.500000 0.000000 0.251371 O\n0.500000 0.000000 0.748629 O\n0.000000 0.500000 0.251371 O\n0.000000 0.500000 0.748629 O\n0.500000 0.500000 0.250861 O\n0.500000 0.500000 0.749139 O\n0.266989 0.000000 0.000000 O\n0.263089 0.000000 0.500000 O\n0.733011 0.000000 0.000000 O\n0.736911 0.000000 0.500000 O\n0.252513 0.500000 0.000000 O\n0.252063 0.500000 0.500000 O\n0.747487 0.500000 0.000000 O\n0.747937 0.500000 0.500000 O\n",
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"volume": 637.1677265561871,
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"formula_full": "Mg30 B1 Sb1 O32",
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{
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"created_at": "2022-09-04T14:43:03.030045Z",
"structure_string": "Sr6 Ti2 Si8 H4 O26\n1.0\n7.729023 0.000000 0.000000\n0.000000 7.779070 0.000000\n0.000000 2.503880 10.875554\nSr Ti Si H O\n6 2 8 4 26\ndirect\n0.250000 0.655702 0.110967 Sr\n0.750000 0.344298 0.889033 Sr\n0.250000 0.389582 0.733829 Sr\n0.750000 0.610418 0.266171 Sr\n0.250000 0.277624 0.412871 Sr\n0.750000 0.722376 0.587129 Sr\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.454869 0.873309 0.303971 Si\n0.545131 0.126691 0.696029 Si\n0.954869 0.126691 0.696029 Si\n0.045131 0.873309 0.303971 Si\n0.457122 0.741987 0.798258 Si\n0.542878 0.258013 0.201742 Si\n0.957122 0.258013 0.201742 Si\n0.042878 0.741987 0.798258 Si\n0.250000 0.392188 0.980722 H\n0.750000 0.607812 0.019278 H\n0.250000 0.592303 0.500194 H\n0.750000 0.407697 0.499806 H\n0.455204 0.432710 0.230774 O\n0.544796 0.567290 0.769226 O\n0.955204 0.567290 0.769226 O\n0.044796 0.432710 0.230774 O\n0.958344 0.912475 0.694974 O\n0.041656 0.087525 0.305026 O\n0.458344 0.087525 0.305026 O\n0.541656 0.912475 0.694974 O\n0.973806 0.848188 0.169786 O\n0.026194 0.151812 0.830214 O\n0.473806 0.151812 0.830214 O\n0.526194 0.848188 0.169786 O\n0.250000 0.993537 0.023926 O\n0.750000 0.006463 0.976074 O\n0.250000 0.810196 0.311463 O\n0.750000 0.189804 0.688537 O\n0.938142 0.748288 0.410870 O\n0.061858 0.251712 0.589130 O\n0.438142 0.251712 0.589130 O\n0.561858 0.748288 0.410870 O\n0.975066 0.225775 0.063269 O\n0.024934 0.774225 0.936731 O\n0.475066 0.774225 0.936731 O\n0.524934 0.225775 0.063269 O\n0.250000 0.726446 0.762341 O\n0.750000 0.273554 0.237659 O\n",
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"formula_full": "Sr6 Ti2 Si8 H4 O26",
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{
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"created_at": "2022-09-04T14:43:03.149276Z",
"structure_string": "Li3 Fe2 Ni1 O6\n1.0\n1.462226 6.570187 0.000000\n-1.462226 6.570187 0.000000\n0.000000 1.362696 5.742240\nLi Fe Ni O\n3 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.164294 0.164294 0.165704 Li\n0.835706 0.835706 0.834296 Li\n0.166876 0.166876 0.672150 Fe\n0.833124 0.833124 0.327850 Fe\n0.500000 0.500000 0.000000 Ni\n0.664601 0.664601 0.903017 O\n0.330220 0.330220 0.569460 O\n0.335399 0.335399 0.096983 O\n0.995457 0.995457 0.233805 O\n0.004543 0.004543 0.766195 O\n0.669780 0.669780 0.430540 O\n",
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{
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{
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{
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}