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{
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{
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"volume": 583.2638961168292,
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"formula_full": "Al2 Fe6 F30",
"formula_reduced": "AlFe3F15",
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},
{
"id": "mp-30068",
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"structure_string": "C1 I1 N1\n1.0\n2.898907 -3.703680 0.000000\n2.898907 3.703680 0.000000\n-1.832961 0.000000 4.331416\nC I N\n1 1 1\ndirect\n0.658302 0.658302 0.658302 C\n0.002741 0.002741 0.002741 I\n0.458957 0.458957 0.458957 N\n",
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"density": 2.7301786501659238,
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"formula_full": "C1 I1 N1",
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"updated_at": "2021-11-28T01:38:11.358000Z",
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},
{
"id": "mp-863658",
"created_at": "2022-09-04T14:48:06.577654Z",
"structure_string": "Pm2 Cl6\n1.0\n4.853574 -8.406637 0.000000\n4.853574 8.406637 0.000000\n0.000000 0.000000 3.746991\nPm Cl\n2 6\ndirect\n0.666667 0.333333 0.250000 Pm\n0.333333 0.666667 0.750000 Pm\n0.786392 0.213608 0.750000 Cl\n0.427215 0.213608 0.750000 Cl\n0.786392 0.572785 0.750000 Cl\n0.213608 0.786392 0.250000 Cl\n0.572785 0.786392 0.250000 Cl\n0.213608 0.427215 0.250000 Cl\n",
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"formula_full": "Pm2 Cl6",
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{
"id": "mp-723483",
"created_at": "2022-09-04T14:40:06.769161Z",
"structure_string": "Sr4 Zn2 H12 O12\n1.0\n6.822614 0.000000 0.000000\n0.000000 6.341773 0.000000\n0.000000 5.664055 9.634924\nSr Zn H O\n4 2 12 12\ndirect\n0.575426 0.171552 0.650741 Sr\n0.924574 0.171552 0.150741 Sr\n0.424574 0.828448 0.349259 Sr\n0.075426 0.828448 0.849259 Sr\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.677292 0.821265 0.581124 H\n0.822708 0.821265 0.081124 H\n0.322708 0.178735 0.418876 H\n0.177292 0.178735 0.918876 H\n0.739119 0.912536 0.520642 H\n0.760881 0.912536 0.020642 H\n0.260881 0.087464 0.479358 H\n0.239119 0.087464 0.979358 H\n0.221978 0.518872 0.153858 H\n0.278022 0.518872 0.653858 H\n0.778022 0.481128 0.846142 H\n0.721978 0.481128 0.346142 H\n0.614445 0.216562 0.251269 O\n0.885555 0.216562 0.751269 O\n0.385555 0.783438 0.748731 O\n0.114445 0.783438 0.248731 O\n0.702131 0.528742 0.416050 O\n0.797869 0.528742 0.916050 O\n0.297869 0.471258 0.583950 O\n0.202131 0.471258 0.083950 O\n0.063752 0.840521 0.363663 O\n0.436248 0.840521 0.863663 O\n0.936248 0.159479 0.636337 O\n0.563752 0.159479 0.136337 O\n",
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"formula_full": "Sr4 Zn2 H12 O12",
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{
"id": "mp-555608",
"created_at": "2022-09-04T14:45:07.576375Z",
"structure_string": "Na6 Sc4 P6 O24\n1.0\n7.907045 -4.572752 0.000000\n7.907045 4.572752 0.000000\n5.262560 0.000000 7.465714\nNa Sc P O\n6 4 6 24\ndirect\n0.377207 0.750000 0.122793 Na\n0.750000 0.122793 0.377207 Na\n0.250000 0.877207 0.622793 Na\n0.122793 0.377207 0.750000 Na\n0.877207 0.622793 0.250000 Na\n0.622793 0.250000 0.877207 Na\n0.647099 0.647099 0.647099 Sc\n0.852901 0.852901 0.852901 Sc\n0.352901 0.352901 0.352901 Sc\n0.147099 0.147099 0.147099 Sc\n0.541832 0.958168 0.250000 P\n0.958168 0.250000 0.541832 P\n0.250000 0.541832 0.958168 P\n0.458168 0.041832 0.750000 P\n0.750000 0.458167 0.041833 P\n0.041832 0.750000 0.458168 P\n0.014763 0.776288 0.626028 O\n0.916162 0.289144 0.068148 O\n0.276288 0.514763 0.126028 O\n0.710856 0.931852 0.083838 O\n0.431852 0.210856 0.583838 O\n0.210856 0.583838 0.431852 O\n0.568148 0.789144 0.416162 O\n0.985237 0.223712 0.373972 O\n0.723712 0.485237 0.873972 O\n0.083838 0.710856 0.931852 O\n0.485237 0.873972 0.723712 O\n0.223712 0.373972 0.985237 O\n0.583838 0.431852 0.210856 O\n0.373972 0.985237 0.223712 O\n0.068148 0.916162 0.289144 O\n0.626028 0.014763 0.776288 O\n0.416162 0.568148 0.789144 O\n0.789144 0.416162 0.568148 O\n0.776288 0.626028 0.014763 O\n0.873972 0.723712 0.485237 O\n0.289144 0.068148 0.916162 O\n0.931852 0.083838 0.710856 O\n0.514763 0.126028 0.276288 O\n0.126028 0.276288 0.514763 O\n",
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{
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"structure_string": "Cs4 Ca4 P12 O36\n1.0\n7.693213 0.000000 0.000000\n0.000000 10.019838 0.000000\n0.000000 0.000000 12.937539\nCs Ca P O\n4 4 12 36\ndirect\n0.250000 0.890279 0.414761 Cs\n0.250000 0.390279 0.085239 Cs\n0.750000 0.109721 0.585239 Cs\n0.750000 0.609721 0.914761 Cs\n0.750000 0.987089 0.275360 Ca\n0.750000 0.487089 0.224640 Ca\n0.250000 0.012911 0.724640 Ca\n0.250000 0.512911 0.775360 Ca\n0.554033 0.748636 0.647826 P\n0.945967 0.248636 0.852174 P\n0.054033 0.251364 0.352174 P\n0.445967 0.751364 0.147826 P\n0.445967 0.251364 0.352174 P\n0.054033 0.751364 0.147826 P\n0.945967 0.748636 0.647826 P\n0.554033 0.248636 0.852174 P\n0.750000 0.710041 0.457856 P\n0.750000 0.210041 0.042144 P\n0.250000 0.289959 0.542144 P\n0.250000 0.789959 0.957856 P\n0.586391 0.681185 0.535252 O\n0.913609 0.181185 0.964748 O\n0.086391 0.318815 0.464748 O\n0.413609 0.818815 0.035252 O\n0.413609 0.318815 0.464748 O\n0.086391 0.818815 0.035252 O\n0.913609 0.681185 0.535252 O\n0.586391 0.181185 0.964748 O\n0.484439 0.643636 0.718680 O\n0.015561 0.143636 0.781320 O\n0.984439 0.356364 0.281320 O\n0.515561 0.856364 0.218680 O\n0.515561 0.356364 0.281320 O\n0.984439 0.856364 0.218680 O\n0.015561 0.643636 0.718680 O\n0.484439 0.143636 0.781320 O\n0.457398 0.877810 0.634693 O\n0.042602 0.377810 0.865307 O\n0.957398 0.122190 0.365307 O\n0.542602 0.622190 0.134693 O\n0.542602 0.122190 0.365307 O\n0.957398 0.622190 0.134693 O\n0.042602 0.877810 0.634693 O\n0.457398 0.377810 0.865307 O\n0.750000 0.855137 0.428425 O\n0.750000 0.355137 0.071575 O\n0.250000 0.144863 0.571575 O\n0.250000 0.644863 0.928425 O\n0.750000 0.788525 0.684812 O\n0.750000 0.288525 0.815188 O\n0.250000 0.211475 0.315188 O\n0.250000 0.711475 0.184812 O\n0.750000 0.604135 0.377452 O\n0.750000 0.104135 0.122548 O\n0.250000 0.395865 0.622548 O\n0.250000 0.895865 0.877452 O\n",
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{
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{
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