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{
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{
"id": "mp-582080",
"created_at": "2022-09-04T14:48:04.514947Z",
"structure_string": "Cs12 La4 Cl24\n1.0\n4.200891 13.860541 0.000000\n-4.200891 13.860541 0.000000\n0.000000 2.367552 13.545522\nCs La Cl\n12 4 24\ndirect\n0.649443 0.024381 0.803119 Cs\n0.533250 0.162214 0.144830 Cs\n0.466750 0.837786 0.855170 Cs\n0.975619 0.350557 0.696881 Cs\n0.309220 0.787092 0.570531 Cs\n0.350557 0.975619 0.196881 Cs\n0.837786 0.466750 0.355170 Cs\n0.024381 0.649443 0.303119 Cs\n0.690780 0.212908 0.429469 Cs\n0.212908 0.690780 0.929469 Cs\n0.787092 0.309220 0.070531 Cs\n0.162214 0.533250 0.644830 Cs\n0.207773 0.792227 0.250000 La\n0.500000 0.000000 0.500000 La\n0.792227 0.207773 0.750000 La\n0.000000 0.500000 0.000000 La\n0.273232 0.387463 0.920671 Cl\n0.387463 0.273232 0.420671 Cl\n0.020866 0.099508 0.297391 Cl\n0.861426 0.635354 0.813701 Cl\n0.612537 0.726768 0.579329 Cl\n0.099508 0.020866 0.797391 Cl\n0.154372 0.206391 0.969787 Cl\n0.845628 0.793609 0.030213 Cl\n0.732846 0.151607 0.935278 Cl\n0.635354 0.861426 0.313701 Cl\n0.848393 0.267154 0.564722 Cl\n0.615411 0.496600 0.825078 Cl\n0.384589 0.503400 0.174922 Cl\n0.979134 0.900492 0.702609 Cl\n0.793609 0.845628 0.530213 Cl\n0.900492 0.979134 0.202609 Cl\n0.496600 0.615411 0.325078 Cl\n0.267154 0.848393 0.064722 Cl\n0.726768 0.612537 0.079329 Cl\n0.151607 0.732846 0.435278 Cl\n0.503400 0.384589 0.674922 Cl\n0.138574 0.364646 0.186299 Cl\n0.364646 0.138574 0.686299 Cl\n0.206391 0.154372 0.469787 Cl\n",
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{
"id": "mp-1080749",
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"structure_string": "Cs2 Fe2 O4\n1.0\n-4.329147 0.000001 -4.329147\n4.329146 -4.329146 0.000001\n-4.329147 -4.329147 0.000001\nCs Fe O\n2 2 4\ndirect\n0.750000 0.375000 0.375000 Cs\n0.250000 0.625000 0.625000 Cs\n0.749999 0.875001 0.875001 Fe\n0.250001 0.125000 0.124998 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Cs2 Fe2 O4",
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{
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"structure_string": "Pr6 Si4 Cl2 O16\n1.0\n3.249753 7.205759 0.000000\n-3.249753 7.205759 0.000000\n0.000000 1.254793 8.785310\nPr Si Cl O\n6 4 2 16\ndirect\n0.710057 0.919704 0.171100 Pr\n0.919704 0.710057 0.671100 Pr\n0.573701 0.426299 0.750000 Pr\n0.289943 0.080296 0.828900 Pr\n0.080296 0.289943 0.328900 Pr\n0.426299 0.573701 0.250000 Pr\n0.396525 0.287601 0.525260 Si\n0.603475 0.712399 0.474740 Si\n0.712399 0.603475 0.974740 Si\n0.287601 0.396525 0.025260 Si\n0.024402 0.975598 0.750000 Cl\n0.975598 0.024402 0.250000 Cl\n0.767958 0.541076 0.154634 O\n0.232042 0.458924 0.845366 O\n0.704179 0.817411 0.918719 O\n0.548680 0.295732 0.031843 O\n0.182589 0.295821 0.581281 O\n0.541076 0.767958 0.654634 O\n0.595681 0.118559 0.644411 O\n0.295821 0.182589 0.081281 O\n0.817411 0.704179 0.418719 O\n0.404319 0.881441 0.355589 O\n0.458924 0.232042 0.345366 O\n0.704268 0.451320 0.468157 O\n0.118559 0.595681 0.144411 O\n0.881441 0.404319 0.855589 O\n0.295732 0.548680 0.531843 O\n0.451320 0.704268 0.968157 O\n",
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"formula_full": "Pr6 Si4 Cl2 O16",
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{
"id": "mp-849219",
"created_at": "2022-09-04T14:48:06.898681Z",
"structure_string": "V6 O8 F4\n1.0\n3.282386 -9.938420 0.000000\n3.282386 9.938420 0.000000\n0.000000 0.000000 3.065376\nV O F\n6 8 4\ndirect\n0.006670 0.993330 0.000000 V\n0.165918 0.834082 0.500000 V\n0.507040 0.492960 0.500000 V\n0.667066 0.332934 0.000000 V\n0.326346 0.673654 0.000000 V\n0.827725 0.172275 0.500000 V\n0.069738 0.930262 0.500000 O\n0.694754 0.693922 0.000000 O\n0.306078 0.305246 0.000000 O\n0.619976 0.954755 0.000000 O\n0.601427 0.398573 0.500000 O\n0.265313 0.734687 0.500000 O\n0.729895 0.270105 0.500000 O\n0.045245 0.380024 0.000000 O\n0.972013 0.638054 0.000000 F\n0.398563 0.601437 0.500000 F\n0.361946 0.027987 0.000000 F\n0.933991 0.066009 0.500000 F\n",
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"elements": [
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"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
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"spacegroup": 38
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{
"id": "mp-629015",
"created_at": "2022-09-04T14:47:58.181599Z",
"structure_string": "B2 N2\n1.0\n1.257972 -2.178872 0.000000\n1.257972 2.178872 0.000000\n0.000000 0.000000 7.258253\nB N\n2 2\ndirect\n0.000000 0.000000 0.750000 B\n0.000000 0.000000 0.250000 B\n0.666667 0.333333 0.250000 N\n0.333333 0.666667 0.750000 N\n",
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{
"id": "mp-777553",
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"structure_string": "Li6 Fe6 F24\n1.0\n3.884485 -6.728125 0.000000\n3.884485 6.728125 0.000000\n0.000000 0.000000 7.917478\nLi Fe F\n6 6 24\ndirect\n0.954753 0.800949 0.055369 Li\n0.996308 0.347227 0.999587 Li\n0.350919 0.003692 0.666254 Li\n0.199051 0.153804 0.388702 Li\n0.652773 0.649081 0.332920 Li\n0.846196 0.045247 0.722036 Li\n0.129511 0.662162 0.381390 Fe\n0.337838 0.467350 0.714723 Fe\n0.532650 0.870489 0.048057 Fe\n0.407398 0.241536 0.064380 Fe\n0.834138 0.592602 0.731047 Fe\n0.758464 0.165862 0.397713 Fe\n0.274309 0.707359 0.157926 F\n0.377444 0.016526 0.925459 F\n0.100454 0.732430 0.631665 F\n0.983474 0.360918 0.258792 F\n0.267570 0.368024 0.964999 F\n0.311212 0.231495 0.616090 F\n0.433051 0.725691 0.824592 F\n0.292641 0.566949 0.491259 F\n0.631976 0.899546 0.298332 F\n0.145498 0.059425 0.149742 F\n0.447597 0.382271 0.271810 F\n0.292805 0.945174 0.405219 F\n0.639082 0.622556 0.592126 F\n0.574107 0.406121 0.850596 F\n0.652369 0.707195 0.071885 F\n0.913926 0.854502 0.816409 F\n0.920283 0.688788 0.282757 F\n0.832014 0.425893 0.517263 F\n0.617729 0.065326 0.605144 F\n0.934674 0.552403 0.938477 F\n0.593879 0.167986 0.183929 F\n0.054826 0.347631 0.738552 F\n0.940575 0.086074 0.483075 F\n0.768505 0.079717 0.949424 F\n",
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{
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"structure_string": "Zn8 Si4 O16\n1.0\n5.142864 0.000000 0.000000\n0.000000 6.743913 0.000000\n0.000000 0.000000 10.435498\nZn Si O\n8 4 16\ndirect\n0.674034 0.999367 0.655626 Zn\n0.825966 0.500633 0.155626 Zn\n0.325966 0.499367 0.344374 Zn\n0.174034 0.000633 0.844374 Zn\n0.325966 0.000633 0.344374 Zn\n0.174034 0.499367 0.844374 Zn\n0.674034 0.500633 0.655626 Zn\n0.825966 0.999367 0.155626 Zn\n0.176534 0.250000 0.593018 Si\n0.323466 0.250000 0.093018 Si\n0.823466 0.750000 0.406982 Si\n0.676534 0.750000 0.906982 Si\n0.857779 0.250000 0.612045 O\n0.642221 0.250000 0.112045 O\n0.142221 0.750000 0.387955 O\n0.357779 0.750000 0.887955 O\n0.235940 0.250000 0.941418 O\n0.264060 0.250000 0.441418 O\n0.764060 0.750000 0.058582 O\n0.735940 0.750000 0.558582 O\n0.294214 0.050631 0.663964 O\n0.205786 0.449369 0.163964 O\n0.705786 0.550631 0.336036 O\n0.794214 0.949369 0.836036 O\n0.705786 0.949369 0.336036 O\n0.794214 0.550631 0.836036 O\n0.294214 0.449369 0.663964 O\n0.205786 0.050631 0.163964 O\n",
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}