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{
"id": "mp-1195968",
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"structure_string": "Cs4 Al4 V4 P8 H8 O40\n1.0\n8.133348 0.000000 0.000000\n0.000000 8.246654 0.000000\n-4.046246 0.000000 13.815282\nCs Al V P H O\n4 4 4 8 8 40\ndirect\n0.828547 0.965086 0.709719 Cs\n0.171453 0.465086 0.790281 Cs\n0.171453 0.034914 0.290281 Cs\n0.828547 0.534914 0.209719 Cs\n0.784072 0.966107 0.031472 Al\n0.215928 0.466107 0.468528 Al\n0.215928 0.033893 0.968528 Al\n0.784072 0.533893 0.531472 Al\n0.285789 0.946347 0.641221 V\n0.714211 0.446347 0.858779 V\n0.714211 0.053653 0.358779 V\n0.285789 0.553653 0.141221 V\n0.005483 0.225084 0.540682 P\n0.994517 0.725084 0.959318 P\n0.994517 0.774916 0.459318 P\n0.005483 0.274916 0.040682 P\n0.497614 0.107279 0.855081 P\n0.502386 0.607279 0.644919 P\n0.502386 0.892721 0.144919 P\n0.497614 0.392721 0.355081 P\n0.474826 0.212276 0.607948 H\n0.525174 0.712276 0.892052 H\n0.525174 0.787724 0.392052 H\n0.474826 0.287724 0.107948 H\n0.473741 0.150797 0.503327 H\n0.526259 0.650797 0.996673 H\n0.526259 0.849203 0.496673 H\n0.473741 0.349203 0.003327 H\n0.102741 0.282505 0.467069 O\n0.897259 0.782505 0.032931 O\n0.897259 0.717495 0.532931 O\n0.102741 0.217495 0.967069 O\n0.936193 0.381671 0.578790 O\n0.063807 0.881671 0.921210 O\n0.063807 0.618329 0.421210 O\n0.936193 0.118329 0.078790 O\n0.854060 0.114748 0.492849 O\n0.145940 0.614748 0.007151 O\n0.145940 0.885252 0.507151 O\n0.854060 0.385252 0.992849 O\n0.130252 0.145300 0.629676 O\n0.869748 0.645300 0.870324 O\n0.869748 0.854700 0.370324 O\n0.130252 0.354700 0.129676 O\n0.456461 0.117809 0.565707 O\n0.543539 0.617809 0.934293 O\n0.543539 0.882191 0.434293 O\n0.456461 0.382191 0.065707 O\n0.473232 0.789947 0.622229 O\n0.526768 0.289947 0.877771 O\n0.526768 0.210053 0.377771 O\n0.473232 0.710053 0.122229 O\n0.203835 0.828179 0.707534 O\n0.796165 0.328179 0.792466 O\n0.796165 0.171821 0.292466 O\n0.203835 0.671821 0.207534 O\n0.656134 0.006358 0.913144 O\n0.343866 0.506358 0.586856 O\n0.343866 0.993642 0.086856 O\n0.656134 0.493642 0.413144 O\n0.341388 0.055686 0.889676 O\n0.658612 0.555686 0.610324 O\n0.658612 0.944314 0.110324 O\n0.341388 0.444314 0.389676 O\n0.465253 0.066984 0.747940 O\n0.534747 0.566984 0.752060 O\n0.534747 0.933016 0.252060 O\n0.465253 0.433016 0.247940 O\n",
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"formula_full": "Cs4 Al4 V4 P8 H8 O40",
"formula_reduced": "CsAlVP2(HO5)2",
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},
{
"id": "mp-680115",
"created_at": "2022-09-04T14:40:26.723551Z",
"structure_string": "Cd14 I28\n1.0\n2.171151 -3.760544 0.000000\n2.171151 3.760544 0.000000\n0.000000 0.000000 103.171522\nCd I\n14 28\ndirect\n0.000000 0.000000 0.803569 Cd\n0.000000 0.000000 0.517848 Cd\n0.666667 0.333333 0.303580 Cd\n0.666667 0.333333 0.160712 Cd\n0.666667 0.333333 0.589282 Cd\n0.666667 0.333333 0.374991 Cd\n0.000000 0.000000 0.232146 Cd\n0.000000 0.000000 0.946431 Cd\n0.000000 0.000000 0.660713 Cd\n0.000000 0.000000 0.732149 Cd\n0.666667 0.333333 0.017857 Cd\n0.666667 0.333333 0.446440 Cd\n0.000000 0.000000 0.089284 Cd\n0.000000 0.000000 0.874999 Cd\n0.666667 0.333333 0.072533 I\n0.333333 0.666667 0.534601 I\n0.333333 0.666667 0.177467 I\n0.333333 0.666667 0.106048 I\n0.333333 0.666667 0.463180 I\n0.666667 0.333333 0.786822 I\n0.333333 0.666667 0.820331 I\n0.000000 0.000000 0.286811 I\n0.666667 0.333333 0.643946 I\n0.333333 0.666667 0.320338 I\n0.333333 0.666667 0.606048 I\n0.000000 0.000000 0.143951 I\n0.333333 0.666667 0.963174 I\n0.000000 0.000000 0.358233 I\n0.000000 0.000000 0.001120 I\n0.666667 0.333333 0.858255 I\n0.666667 0.333333 0.929672 I\n0.333333 0.666667 0.677464 I\n0.666667 0.333333 0.715396 I\n0.666667 0.333333 0.215394 I\n0.333333 0.666667 0.034613 I\n0.333333 0.666667 0.891743 I\n0.333333 0.666667 0.248907 I\n0.333333 0.666667 0.391736 I\n0.666667 0.333333 0.501088 I\n0.000000 0.000000 0.572540 I\n0.000000 0.000000 0.429677 I\n0.333333 0.666667 0.748909 I\n",
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"elements": [
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"formula_full": "Cd14 I28",
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{
"id": "mp-1234921",
"created_at": "2022-09-04T14:40:26.731698Z",
"structure_string": "Mg1 Fe10 O16 F4\n1.0\n-4.914509 -0.115774 0.002098\n0.228668 9.663918 -8.839709\n-0.113587 -4.866834 -2.980587\nMg Fe O F\n1 10 16 4\ndirect\n0.010568 0.603730 0.701178 Mg\n0.492088 0.999468 0.479310 Fe\n0.482051 0.401403 0.320885 Fe\n0.483021 0.197339 0.893815 Fe\n0.515990 0.606641 0.674748 Fe\n0.525344 0.804742 0.068233 Fe\n0.014928 0.373349 0.840258 Fe\n0.964226 0.822638 0.564844 Fe\n0.022115 0.192081 0.415158 Fe\n0.937979 0.595247 0.195671 Fe\n0.038185 0.994904 0.011501 Fe\n0.800754 0.247718 0.709438 O\n0.821735 0.867720 0.902023 O\n0.799906 0.675190 0.505607 O\n0.820194 0.060211 0.307622 O\n0.789593 0.455024 0.113980 O\n0.705068 0.482529 0.606932 O\n0.724903 0.658636 0.976129 O\n0.683212 0.867341 0.394286 O\n0.304042 0.332708 0.010293 O\n0.302275 0.722769 0.785778 O\n0.315607 0.131922 0.579734 O\n0.311379 0.934742 0.175904 O\n0.276019 0.541026 0.423555 O\n0.191608 0.136591 0.089749 O\n0.202671 0.944401 0.684998 O\n0.194780 0.331351 0.507164 O\n0.684935 0.059561 0.809342 F\n0.689024 0.259881 0.218027 F\n0.200365 0.531632 0.905966 F\n0.195439 0.735213 0.270730 F\n",
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"formula_full": "Mg1 Fe10 O16 F4",
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{
"id": "mp-1278738",
"created_at": "2022-09-04T14:40:26.801974Z",
"structure_string": "La2 Mn2 O6\n1.0\n3.947522 -0.000023 -0.000002\n-0.000025 3.937908 3.936926\n0.000021 -3.937905 3.936923\nLa Mn O\n2 2 6\ndirect\n0.000002 0.999998 0.999996 La\n0.000002 0.500004 0.500003 La\n0.500000 0.000001 0.499997 Mn\n0.500001 0.499999 0.000002 Mn\n0.000000 0.499998 0.000000 O\n0.000002 0.999996 0.500003 O\n0.500001 0.241058 0.741062 O\n0.499998 0.758942 0.258942 O\n0.499999 0.241062 0.258938 O\n0.499994 0.758943 0.741057 O\n",
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"formula_full": "La2 Mn2 O6",
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{
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"structure_string": "V2 Cu3 H6 O11\n1.0\n5.447451 2.954451 -0.551182\n-5.447451 2.954451 0.551182\n-0.133939 0.000000 7.195502\nV Cu H O\n2 3 6 11\ndirect\n0.505398 0.494602 0.749597 V\n0.494602 0.505398 0.250403 V\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.150430 0.849570 0.739487 H\n0.849570 0.150430 0.260513 H\n0.016973 0.724297 0.439285 H\n0.275703 0.983027 0.439285 H\n0.983027 0.275703 0.560715 H\n0.724297 0.016973 0.560715 H\n0.500000 0.500000 0.500000 O\n0.153247 0.846753 0.882461 O\n0.846753 0.153247 0.117539 O\n0.193544 0.334499 0.810607 O\n0.665501 0.806456 0.810607 O\n0.806456 0.665501 0.189393 O\n0.334499 0.193544 0.189393 O\n0.337524 0.662476 0.145801 O\n0.662476 0.337524 0.854199 O\n0.169955 0.830045 0.521415 O\n0.830045 0.169955 0.478585 O\n",
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{
"id": "mp-763790",
"created_at": "2022-09-04T14:40:26.702433Z",
"structure_string": "Mn4 P12 O36\n1.0\n0.699302 7.264372 -0.175236\n-7.451360 -0.992407 6.088144\n6.997290 -1.077875 7.367366\nMn P O\n4 12 36\ndirect\n0.158914 0.865241 0.047470 Mn\n0.840941 0.634724 0.452523 Mn\n0.159299 0.365490 0.547446 Mn\n0.840713 0.134642 0.952602 Mn\n0.569387 0.330473 0.476905 P\n0.569072 0.830358 0.976967 P\n0.430904 0.669643 0.522999 P\n0.430611 0.169514 0.023078 P\n0.808585 0.892194 0.225805 P\n0.808839 0.392260 0.725820 P\n0.191156 0.107717 0.774202 P\n0.191363 0.607792 0.274166 P\n0.814156 0.118717 0.444346 P\n0.813921 0.618660 0.944369 P\n0.186088 0.881357 0.555632 P\n0.185900 0.381284 0.055639 P\n0.319696 0.050677 0.092612 O\n0.320002 0.550784 0.592495 O\n0.680030 0.949231 0.907495 O\n0.680321 0.449319 0.407420 O\n0.358951 0.309189 0.452453 O\n0.358661 0.809143 0.952442 O\n0.641285 0.690879 0.547561 O\n0.641040 0.190790 0.047607 O\n0.962451 0.938731 0.133696 O\n0.962781 0.438809 0.633807 O\n0.037244 0.061187 0.866267 O\n0.037477 0.561286 0.366255 O\n0.977460 0.240018 0.428124 O\n0.977187 0.740043 0.928132 O\n0.022841 0.759974 0.571851 O\n0.022578 0.259993 0.071908 O\n0.614754 0.852167 0.133468 O\n0.615090 0.352271 0.633401 O\n0.384978 0.147676 0.866602 O\n0.385220 0.647840 0.366516 O\n0.623093 0.185821 0.430953 O\n0.622833 0.685738 0.930995 O\n0.377148 0.814252 0.568996 O\n0.376928 0.314153 0.069027 O\n0.188895 0.968155 0.442765 O\n0.188758 0.468088 0.942761 O\n0.811261 0.031878 0.557207 O\n0.811121 0.531877 0.057232 O\n0.776156 0.031998 0.301520 O\n0.776205 0.532012 0.801522 O\n0.223780 0.967949 0.698479 O\n0.223897 0.468021 0.198460 O\n0.182326 0.225993 0.690410 O\n0.182428 0.726047 0.190402 O\n0.817584 0.773959 0.309563 O\n0.817690 0.273987 0.809629 O\n",
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{
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"structure_string": "U11 Se20\n1.0\n10.722515 0.000000 0.000000\n0.000000 10.722515 0.000000\n0.000000 0.000000 6.693604\nU Se\n11 20\ndirect\n0.839132 0.649891 0.250515 U\n0.841661 0.348340 0.750496 U\n0.158339 0.651660 0.750496 U\n0.160868 0.350109 0.250515 U\n0.651660 0.841661 0.750496 U\n0.649891 0.160868 0.250515 U\n0.350109 0.839132 0.250515 U\n0.348340 0.158339 0.750496 U\n0.500000 0.500000 0.636524 U\n0.000000 0.000000 0.860616 U\n0.000000 0.000000 0.361043 U\n0.290398 0.588800 0.384707 Se\n0.290426 0.411885 0.877376 Se\n0.709574 0.588115 0.877376 Se\n0.709602 0.411200 0.384707 Se\n0.588115 0.290426 0.877376 Se\n0.588800 0.709602 0.384707 Se\n0.411200 0.290398 0.384707 Se\n0.411885 0.709574 0.877376 Se\n0.209086 0.912655 0.618116 Se\n0.209403 0.087553 0.119410 Se\n0.790597 0.912447 0.119410 Se\n0.790914 0.087345 0.618116 Se\n0.912447 0.209403 0.119410 Se\n0.912655 0.790914 0.618116 Se\n0.087345 0.209086 0.618116 Se\n0.087553 0.790597 0.119410 Se\n0.000000 0.500000 0.500039 Se\n0.000000 0.500000 0.001631 Se\n0.500000 0.000000 0.001631 Se\n0.500000 0.000000 0.500039 Se\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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}