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{
"id": "mp-757481",
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"structure_string": "Li8 Fe4 P8 O28\n1.0\n5.163419 0.000000 0.000000\n0.000000 8.059752 0.000000\n0.000000 5.387978 13.261393\nLi Fe P O\n8 4 8 28\ndirect\n0.211854 0.969977 0.676825 Li\n0.288146 0.969977 0.176825 Li\n0.748516 0.425494 0.838345 Li\n0.248516 0.574506 0.661655 Li\n0.751484 0.425494 0.338345 Li\n0.251484 0.574506 0.161655 Li\n0.711854 0.030023 0.823175 Li\n0.788146 0.030023 0.323175 Li\n0.283478 0.720701 0.878564 Fe\n0.216522 0.720701 0.378564 Fe\n0.783478 0.279299 0.621436 Fe\n0.716522 0.279299 0.121436 Fe\n0.716461 0.814865 0.693279 P\n0.719516 0.705779 0.522454 P\n0.783539 0.814865 0.193279 P\n0.219516 0.294221 0.977546 P\n0.780484 0.705779 0.022454 P\n0.216461 0.185135 0.806721 P\n0.280484 0.294221 0.477546 P\n0.283539 0.185135 0.306721 P\n0.251615 0.996271 0.804961 O\n0.248385 0.996271 0.304961 O\n0.655702 0.793725 0.919034 O\n0.766564 0.851809 0.574940 O\n0.433449 0.751764 0.716341 O\n0.915940 0.680870 0.757464 O\n0.425630 0.679308 0.517542 O\n0.844298 0.793725 0.419034 O\n0.733436 0.851809 0.074940 O\n0.364782 0.462133 0.908382 O\n0.066551 0.751764 0.216341 O\n0.584060 0.680870 0.257464 O\n0.864782 0.537867 0.591618 O\n0.074370 0.679308 0.017542 O\n0.925630 0.320692 0.982458 O\n0.135218 0.462133 0.408382 O\n0.415940 0.319130 0.742536 O\n0.933449 0.248236 0.783659 O\n0.635218 0.537867 0.091618 O\n0.266564 0.148191 0.925060 O\n0.155702 0.206275 0.580966 O\n0.574370 0.320692 0.482458 O\n0.084060 0.319130 0.242536 O\n0.566551 0.248236 0.283659 O\n0.233436 0.148191 0.425060 O\n0.344298 0.206275 0.080966 O\n0.751615 0.003729 0.695039 O\n0.748385 0.003729 0.195039 O\n",
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"formula_full": "Li8 Fe4 P8 O28",
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{
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"created_at": "2022-09-04T14:39:48.174604Z",
"structure_string": "La8 Si4 C4 N8 O16\n1.0\n12.916216 0.000000 0.000000\n0.000000 6.575295 0.000000\n0.000000 1.759922 6.444158\nLa Si C N O\n8 4 4 8 16\ndirect\n0.099143 0.588314 0.218872 La\n0.599143 0.411686 0.281128 La\n0.900857 0.411686 0.781128 La\n0.400857 0.588314 0.718872 La\n0.854805 0.969560 0.330214 La\n0.354805 0.030440 0.169786 La\n0.145195 0.030440 0.669786 La\n0.645195 0.969560 0.830214 La\n0.900729 0.907711 0.812800 Si\n0.400729 0.092289 0.687200 Si\n0.099271 0.092289 0.187200 Si\n0.599271 0.907711 0.312800 Si\n0.848173 0.474001 0.268629 C\n0.348173 0.525999 0.231371 C\n0.151827 0.525999 0.731371 C\n0.651827 0.474001 0.768629 C\n0.902273 0.574733 0.361638 N\n0.402273 0.425267 0.138362 N\n0.097727 0.425267 0.638362 N\n0.597727 0.574733 0.861638 N\n0.795746 0.370436 0.175900 N\n0.295746 0.629564 0.324100 N\n0.204254 0.629564 0.824100 N\n0.704254 0.370436 0.675900 N\n0.052046 0.894041 0.370680 O\n0.552046 0.105959 0.129320 O\n0.947954 0.105959 0.629320 O\n0.447954 0.894041 0.870680 O\n0.993026 0.746745 0.915692 O\n0.493026 0.253255 0.584308 O\n0.006974 0.253255 0.084308 O\n0.506974 0.746745 0.415692 O\n0.833713 0.025449 0.959430 O\n0.333713 0.974551 0.540570 O\n0.166287 0.974551 0.040570 O\n0.666287 0.025449 0.459430 O\n0.819997 0.776986 0.702871 O\n0.319997 0.223014 0.797129 O\n0.180003 0.223014 0.297129 O\n0.680003 0.776986 0.202871 O\n",
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"N",
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},
{
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"created_at": "2022-09-04T14:41:27.911640Z",
"structure_string": "Ca4 V4 P8 O28\n1.0\n6.313761 0.010624 0.167517\n-1.404718 12.382038 1.419349\n-0.016933 -0.008172 7.149255\nCa V P O\n4 4 8 28\ndirect\n0.659636 0.355319 0.635414 Ca\n0.159636 0.855283 0.635487 Ca\n0.840359 0.144716 0.364513 Ca\n0.340363 0.644679 0.364579 Ca\n0.822242 0.565885 0.187131 V\n0.177765 0.434112 0.812870 V\n0.322285 0.065868 0.187202 V\n0.677715 0.934134 0.812817 V\n0.500612 0.329108 0.121923 P\n0.000593 0.829095 0.121931 P\n0.999411 0.170905 0.878074 P\n0.499389 0.670892 0.878073 P\n0.345613 0.110276 0.620830 P\n0.845612 0.610242 0.620830 P\n0.154389 0.389759 0.379165 P\n0.654384 0.889722 0.379174 P\n0.456451 0.366152 0.915393 O\n0.956399 0.866151 0.915434 O\n0.043603 0.133849 0.084570 O\n0.543553 0.633847 0.084603 O\n0.655317 0.407083 0.212404 O\n0.155301 0.907065 0.212448 O\n0.844700 0.092935 0.787560 O\n0.344685 0.592918 0.787589 O\n0.550987 0.211523 0.149548 O\n0.050991 0.711512 0.149523 O\n0.949013 0.288487 0.850476 O\n0.449011 0.788477 0.850453 O\n0.955540 0.315098 0.447705 O\n0.455519 0.815071 0.447699 O\n0.544474 0.184926 0.552297 O\n0.044459 0.684905 0.552288 O\n0.191443 0.085898 0.462618 O\n0.691456 0.585841 0.462630 O\n0.308543 0.414160 0.537365 O\n0.808544 0.914099 0.537394 O\n0.232158 0.174781 0.768448 O\n0.732150 0.674727 0.768474 O\n0.267850 0.325274 0.231521 O\n0.767847 0.825219 0.231558 O\n0.107510 0.497877 0.271059 O\n0.607553 0.997845 0.271079 O\n0.392449 0.002153 0.728919 O\n0.892495 0.502124 0.728934 O\n",
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"elements": [
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"V",
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],
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"density_atomic": 0.07869429579354062,
"volume": 559.1256590622113,
"volume_molar": 7.652575957728195,
"formula_full": "Ca4 V4 P8 O28",
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"spacegroup": 2
},
{
"id": "mp-1198374",
"created_at": "2022-09-04T14:44:27.531340Z",
"structure_string": "Ba4 H28 Cl8 O30\n1.0\n6.879370 9.383804 0.000000\n-6.879370 9.383804 0.000000\n0.000000 2.102678 6.460041\nBa H Cl O\n4 28 8 30\ndirect\n0.868737 0.617433 0.757003 Ba\n0.382567 0.131263 0.742997 Ba\n0.131263 0.382567 0.242997 Ba\n0.617433 0.868737 0.257003 Ba\n0.908034 0.322919 0.051789 H\n0.677081 0.091966 0.448211 H\n0.091966 0.677081 0.948211 H\n0.322919 0.908034 0.551789 H\n0.024736 0.319084 0.870696 H\n0.680916 0.975264 0.629304 H\n0.975264 0.680916 0.129304 H\n0.319084 0.024736 0.370696 H\n0.726169 0.383179 0.848808 H\n0.616821 0.273831 0.651192 H\n0.273831 0.616821 0.151192 H\n0.383179 0.726169 0.348808 H\n0.620737 0.501783 0.819692 H\n0.498217 0.379263 0.680308 H\n0.379263 0.498217 0.180308 H\n0.501783 0.620737 0.319692 H\n0.762203 0.169471 0.854631 H\n0.830529 0.237797 0.645369 H\n0.237797 0.830529 0.145369 H\n0.169471 0.762203 0.354631 H\n0.595658 0.460358 0.132093 H\n0.539642 0.404342 0.367907 H\n0.404342 0.539642 0.867907 H\n0.460358 0.595658 0.632093 H\n0.863437 0.177107 0.335818 H\n0.822893 0.136563 0.164182 H\n0.136563 0.822893 0.664182 H\n0.177107 0.863437 0.835818 H\n0.772279 0.514288 0.342260 Cl\n0.485712 0.227721 0.157740 Cl\n0.227721 0.485712 0.657740 Cl\n0.514288 0.772279 0.842260 Cl\n0.941553 0.871137 0.356740 Cl\n0.128863 0.058447 0.143260 Cl\n0.058447 0.128863 0.643260 Cl\n0.871137 0.941553 0.856740 Cl\n0.890516 0.497005 0.432666 O\n0.502995 0.109484 0.067334 O\n0.109484 0.502995 0.567334 O\n0.497005 0.890516 0.932666 O\n0.751375 0.633891 0.167464 O\n0.366109 0.248625 0.332536 O\n0.248625 0.366109 0.832536 O\n0.633891 0.751375 0.667464 O\n0.878593 0.775589 0.324576 O\n0.224411 0.121407 0.175424 O\n0.121407 0.224411 0.675424 O\n0.775589 0.878593 0.824576 O\n0.030455 0.801409 0.517570 O\n0.198591 0.969545 0.982430 O\n0.969545 0.198591 0.482430 O\n0.801409 0.030455 0.017570 O\n0.971004 0.367003 0.977496 O\n0.632997 0.028996 0.522504 O\n0.028996 0.632997 0.022504 O\n0.367003 0.971004 0.477496 O\n0.694674 0.466322 0.885089 O\n0.533678 0.305326 0.614911 O\n0.305326 0.533678 0.114911 O\n0.466322 0.694674 0.385089 O\n0.752115 0.247885 0.750000 O\n0.247885 0.752115 0.250000 O\n0.525471 0.474529 0.250000 O\n0.474529 0.525471 0.750000 O\n0.800414 0.199586 0.250000 O\n0.199586 0.800414 0.750000 O\n",
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"formula_full": "Ba4 H28 Cl8 O30",
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{
"id": "mp-1202328",
"created_at": "2022-09-04T14:46:26.866883Z",
"structure_string": "Cs8 Ca4 V8 O28\n1.0\n6.185912 0.000000 0.000000\n0.000000 10.747375 0.000000\n0.000000 7.172588 14.029633\nCs Ca V O\n8 4 8 28\ndirect\n0.227897 0.033428 0.828084 Cs\n0.272103 0.033428 0.328084 Cs\n0.772103 0.966572 0.171916 Cs\n0.727897 0.966572 0.671916 Cs\n0.767085 0.514774 0.350332 Cs\n0.732915 0.514774 0.850332 Cs\n0.232915 0.485226 0.649668 Cs\n0.267085 0.485226 0.149668 Cs\n0.255959 0.236292 0.514589 Ca\n0.244041 0.236292 0.014589 Ca\n0.744041 0.763708 0.485411 Ca\n0.755959 0.763708 0.985411 Ca\n0.228871 0.828668 0.621938 V\n0.271129 0.828668 0.121938 V\n0.771129 0.171332 0.378062 V\n0.728871 0.171332 0.878062 V\n0.238294 0.665413 0.867763 V\n0.261706 0.665413 0.367763 V\n0.761706 0.334587 0.132237 V\n0.738294 0.334587 0.632237 V\n0.429335 0.811702 0.553133 O\n0.070665 0.811702 0.053133 O\n0.570665 0.188298 0.446867 O\n0.929335 0.188298 0.946867 O\n0.980910 0.778310 0.598136 O\n0.519090 0.778310 0.098136 O\n0.019090 0.221690 0.401864 O\n0.480910 0.221690 0.901864 O\n0.219883 0.994276 0.613959 O\n0.280117 0.994276 0.113959 O\n0.780117 0.005724 0.386041 O\n0.719883 0.005724 0.886041 O\n0.303063 0.703789 0.744440 O\n0.196937 0.703789 0.244440 O\n0.696937 0.296211 0.255560 O\n0.803063 0.296211 0.755560 O\n0.999976 0.746726 0.871120 O\n0.500024 0.746726 0.371120 O\n0.000024 0.253274 0.128880 O\n0.499976 0.253274 0.628880 O\n0.214952 0.486751 0.927860 O\n0.285048 0.486751 0.427860 O\n0.785048 0.513249 0.072140 O\n0.714952 0.513249 0.572140 O\n0.454151 0.725272 0.907543 O\n0.045849 0.725272 0.407543 O\n0.545849 0.274728 0.092457 O\n0.954151 0.274728 0.592457 O\n",
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"formula_full": "Cs8 Ca4 V8 O28",
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{
"id": "mp-752770",
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"structure_string": "Li8 Fe4 P8 O28\n1.0\n-4.469643 2.531118 0.144850\n-4.468928 -7.596313 0.148247\n3.166098 -0.004793 12.842989\nLi Fe P O\n8 4 8 28\ndirect\n0.676113 0.603120 0.410207 Li\n0.178298 0.102788 0.408924 Li\n0.506494 0.212359 0.089410 Li\n0.008456 0.712249 0.091255 Li\n0.493004 0.787678 0.908685 Li\n0.992825 0.287859 0.910805 Li\n0.321673 0.397256 0.591488 Li\n0.823265 0.896644 0.589349 Li\n0.250038 0.750154 0.499792 Fe\n0.500723 0.499999 0.999479 Fe\n0.749804 0.249845 0.500358 Fe\n0.999461 0.999863 0.000174 Fe\n0.834084 0.579189 0.631808 P\n0.335578 0.078864 0.630919 P\n0.963754 0.622659 0.868837 P\n0.463297 0.122542 0.868234 P\n0.036179 0.377310 0.131981 P\n0.537233 0.877649 0.130898 P\n0.163874 0.420824 0.369276 P\n0.665912 0.921041 0.368026 P\n0.848803 0.648777 0.750325 O\n0.354048 0.148782 0.749405 O\n0.144447 0.350364 0.250801 O\n0.652394 0.852080 0.249502 O\n0.265697 0.602877 0.881119 O\n0.765795 0.103748 0.882120 O\n0.712481 0.418337 0.619082 O\n0.213979 0.918061 0.618412 O\n0.285417 0.581582 0.381240 O\n0.787525 0.081910 0.381437 O\n0.733678 0.396413 0.117856 O\n0.235326 0.897177 0.118629 O\n0.888059 0.771508 0.927460 O\n0.385321 0.271218 0.926577 O\n0.649410 0.691519 0.572547 O\n0.149966 0.191402 0.572446 O\n0.349859 0.308575 0.427874 O\n0.850139 0.808377 0.427224 O\n0.113998 0.228754 0.073442 O\n0.613256 0.728678 0.072417 O\n0.888050 0.420453 0.397971 O\n0.388441 0.919578 0.395035 O\n0.176681 0.515356 0.104859 O\n0.675975 0.015384 0.102302 O\n0.824781 0.484979 0.897379 O\n0.323487 0.984449 0.895638 O\n0.111276 0.580375 0.604564 O\n0.611646 0.079394 0.602432 O\n",
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"elements": [
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"formula_full": "Li8 Fe4 P8 O28",
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{
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