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{
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{
"id": "mp-754499",
"created_at": "2022-09-04T14:42:14.357600Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.804861 0.000000 0.000000\n0.000000 5.089238 0.000000\n0.000000 0.719214 8.677696\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477004 0.788841 0.816206 Li\n0.977004 0.211159 0.183794 Li\n0.253127 0.226822 0.654003 Mn\n0.753127 0.773178 0.345997 Mn\n0.249003 0.280641 0.927225 C\n0.749003 0.719359 0.072775 C\n0.756963 0.252460 0.582958 S\n0.256963 0.747540 0.417042 S\n0.708589 0.690707 0.937261 O\n0.259492 0.049599 0.866644 O\n0.278184 0.476208 0.818608 O\n0.934394 0.200942 0.675034 O\n0.581948 0.158896 0.671647 O\n0.267684 0.872100 0.567157 O\n0.735765 0.545371 0.541130 O\n0.235765 0.454629 0.458870 O\n0.767684 0.127900 0.432843 O\n0.081948 0.841104 0.328353 O\n0.434394 0.799058 0.324966 O\n0.778184 0.523792 0.181392 O\n0.759492 0.950401 0.133356 O\n0.208589 0.309293 0.062739 O\n",
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"formula_full": "Li2 Mn2 C2 S2 O14",
"formula_reduced": "LiMnCSO7",
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"spacegroup": 4
},
{
"id": "mp-756529",
"created_at": "2022-09-04T14:40:27.710241Z",
"structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n5.185178 0.000000 0.000000\n-0.100726 6.228844 0.000000\n-0.558575 -0.140895 8.586495\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.772612 0.958024 0.211331 Li\n0.227388 0.041976 0.788669 Li\n0.209032 0.744648 0.337752 Mn\n0.790968 0.255352 0.662248 Mn\n0.277193 0.244669 0.431218 P\n0.722807 0.755331 0.568782 P\n0.264161 0.771263 0.062274 C\n0.735839 0.228737 0.937726 C\n0.705964 0.196057 0.074602 O\n0.038861 0.747878 0.124651 O\n0.455465 0.756433 0.172265 O\n0.193316 0.054533 0.319261 O\n0.202743 0.441321 0.334293 O\n0.572786 0.235061 0.472259 O\n0.861347 0.765862 0.413518 O\n0.138653 0.234138 0.586482 O\n0.427214 0.764939 0.527741 O\n0.797257 0.558679 0.665707 O\n0.806684 0.945467 0.680739 O\n0.544535 0.243567 0.827735 O\n0.961139 0.252122 0.875349 O\n0.294036 0.803943 0.925398 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.596989020021681,
"density_atomic": 0.07932966778209175,
"volume": 277.32373795426867,
"volume_molar": 7.591284482045275,
"formula_full": "Li2 Mn2 P2 C2 O14",
"formula_reduced": "LiMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -168.88683416,
"energy_per_atom": -7.67667428,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:58.139000Z",
"spacegroup": 2
},
{
"id": "mp-772778",
"created_at": "2022-09-04T14:45:16.307370Z",
"structure_string": "K2 Hf2 P2 C2 O14\n1.0\n6.647344 0.000000 0.000000\n0.000000 5.783183 0.000000\n0.000000 0.160988 9.974894\nK Hf P C O\n2 2 2 2 14\ndirect\n0.550488 0.747503 0.782133 K\n0.050488 0.252497 0.217867 K\n0.225014 0.222427 0.653420 Hf\n0.725014 0.777573 0.346580 Hf\n0.730810 0.270528 0.551236 P\n0.230810 0.729472 0.448764 P\n0.268216 0.278654 0.905024 C\n0.768216 0.721346 0.094976 C\n0.794825 0.693735 0.974057 O\n0.257241 0.072429 0.844321 O\n0.247860 0.451045 0.813483 O\n0.917486 0.230423 0.640915 O\n0.542188 0.229056 0.637921 O\n0.237056 0.900838 0.566597 O\n0.730966 0.520965 0.493694 O\n0.230966 0.479035 0.506306 O\n0.737056 0.099162 0.433403 O\n0.042188 0.770944 0.362079 O\n0.417486 0.769577 0.359085 O\n0.747860 0.548955 0.186517 O\n0.757241 0.927571 0.155679 O\n0.294825 0.306265 0.025943 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.226724749629767,
"density_atomic": 0.057371909192481904,
"volume": 383.46292305159875,
"volume_molar": 10.496671358444438,
"formula_full": "K2 Hf2 P2 C2 O14",
"formula_reduced": "KHfPCO7",
"formula_anonymous": "ABCDE7",
"energy": -182.75566684,
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"updated_at": "2021-11-28T01:36:57.754000Z",
"spacegroup": 4
},
{
"id": "mp-768164",
"created_at": "2022-09-04T14:43:52.464355Z",
"structure_string": "Li2 Ge2 P2 C2 O14\n1.0\n6.232561 0.000000 0.000000\n0.000000 5.065508 0.000000\n0.000000 0.683766 8.595755\nLi Ge P C O\n2 2 2 2 14\ndirect\n0.474901 0.771860 0.816669 Li\n0.974901 0.228140 0.183331 Li\n0.248515 0.211202 0.662667 Ge\n0.748515 0.788798 0.337333 Ge\n0.754219 0.265251 0.568933 P\n0.254219 0.734749 0.431067 P\n0.253290 0.274738 0.934310 C\n0.753290 0.725262 0.065690 C\n0.730764 0.686145 0.927842 O\n0.255191 0.038993 0.873833 O\n0.271001 0.467701 0.817245 O\n0.948469 0.196077 0.673525 O\n0.558634 0.179595 0.669695 O\n0.259800 0.873494 0.584887 O\n0.747366 0.570676 0.522824 O\n0.247366 0.429324 0.477176 O\n0.759800 0.126506 0.415113 O\n0.058634 0.820405 0.330305 O\n0.448469 0.803923 0.326475 O\n0.771001 0.532299 0.182755 O\n0.755191 0.961007 0.126167 O\n0.230764 0.313855 0.072158 O\n",
"nsites": 22,
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"elements": [
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"Ge",
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],
"chemical_system": "C-Ge-Li-O-P",
"density": 2.870528154384812,
"density_atomic": 0.08106793468712024,
"volume": 271.3773341446094,
"volume_molar": 7.428511387692691,
"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
"formula_anonymous": "ABCDE7",
"energy": -160.88333192,
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"total_magnetization": 1.9e-05,
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"updated_at": "2021-11-28T01:36:23.275000Z",
"spacegroup": 4
},
{
"id": "mp-771890",
"created_at": "2022-09-04T14:42:25.568311Z",
"structure_string": "Li2 Sn2 As2 C2 O14\n1.0\n6.745297 0.000000 0.000000\n0.000000 5.255799 0.000000\n0.000000 0.595826 9.187255\nLi Sn As C O\n2 2 2 2 14\ndirect\n0.496686 0.767580 0.819539 Li\n0.996686 0.232420 0.180461 Li\n0.246079 0.211189 0.666831 Sn\n0.746079 0.788811 0.333169 Sn\n0.750385 0.274428 0.574081 As\n0.250385 0.725572 0.425919 As\n0.256293 0.277423 0.937650 C\n0.756293 0.722577 0.062350 C\n0.725989 0.684440 0.932873 O\n0.258309 0.047303 0.882900 O\n0.282627 0.467760 0.833104 O\n0.943798 0.198304 0.687467 O\n0.553224 0.160821 0.674788 O\n0.258884 0.844511 0.595486 O\n0.729878 0.601817 0.537059 O\n0.229878 0.398183 0.462941 O\n0.758884 0.155489 0.404514 O\n0.053224 0.839179 0.325212 O\n0.443798 0.801696 0.312533 O\n0.782627 0.532240 0.166896 O\n0.758309 0.952697 0.117100 O\n0.225989 0.315560 0.067127 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"Sn",
"As",
"C",
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],
"chemical_system": "As-C-Li-O-Sn",
"density": 3.309588885610047,
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"volume": 325.70587730416565,
"volume_molar": 8.915666543113522,
"formula_full": "Li2 Sn2 As2 C2 O14",
"formula_reduced": "LiSnAsCO7",
"formula_anonymous": "ABCDE7",
"energy": -150.63563619,
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"updated_at": "2021-11-28T01:35:49.054000Z",
"spacegroup": 4
},
{
"id": "mp-1176704",
"created_at": "2022-09-04T14:45:16.376863Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.233086 0.000000 0.000000\n-1.842889 8.027776 0.000000\n-2.780122 -3.428728 8.344689\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.309779 0.552478 0.105420 Li\n0.542621 0.008084 0.283057 Li\n0.180073 0.938009 0.889473 Li\n0.686704 0.435183 0.892069 Li\n0.188078 0.946472 0.335447 Fe\n0.696783 0.447858 0.332194 Fe\n0.807773 0.057709 0.668737 Fe\n0.304082 0.554853 0.664500 Fe\n0.449009 0.699092 0.421567 P\n0.946604 0.201006 0.421887 P\n0.555288 0.303031 0.577593 P\n0.054119 0.803264 0.579340 P\n0.502197 0.244577 0.041812 C\n0.001779 0.752373 0.042274 C\n0.000252 0.249906 0.959498 C\n0.493924 0.749348 0.960580 C\n0.141869 0.887237 0.074028 O\n0.632487 0.387873 0.072907 O\n0.104579 0.354956 0.099388 O\n0.486290 0.217384 0.168418 O\n0.585542 0.860162 0.102300 O\n0.977755 0.731151 0.167436 O\n0.029112 0.089359 0.321159 O\n0.835628 0.278461 0.313490 O\n0.345442 0.780882 0.307867 O\n0.517338 0.579693 0.308380 O\n0.416379 0.143351 0.421389 O\n0.810145 0.077390 0.465793 O\n0.321275 0.581847 0.472581 O\n0.903944 0.657676 0.424816 O\n0.092791 0.347383 0.579315 O\n0.674245 0.426553 0.524461 O\n0.180550 0.922522 0.527512 O\n0.600578 0.846688 0.573899 O\n0.472111 0.410462 0.682002 O\n0.671819 0.235009 0.693266 O\n0.166354 0.729285 0.691900 O\n0.982472 0.921383 0.688696 O\n0.027896 0.276828 0.837378 O\n0.389964 0.136615 0.905175 O\n0.526591 0.772215 0.840286 O\n0.892421 0.642227 0.905290 O\n0.359897 0.605667 0.923174 O\n0.860786 0.109842 0.916435 O\n",
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"formula_full": "Li4 Fe4 P4 C4 O28",
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{
"id": "mp-767535",
"created_at": "2022-09-04T14:44:21.951073Z",
"structure_string": "Na2 Hf2 P2 C2 O14\n1.0\n6.655543 0.000000 0.000000\n0.000000 5.555237 0.000000\n0.000000 0.380584 9.300247\nNa Hf P C O\n2 2 2 2 14\ndirect\n0.506383 0.759194 0.796399 Na\n0.006383 0.240806 0.203601 Na\n0.233312 0.209097 0.657432 Hf\n0.733312 0.790903 0.342568 Hf\n0.740037 0.275578 0.561235 P\n0.240037 0.724422 0.438765 P\n0.265737 0.276660 0.926307 C\n0.765737 0.723340 0.073693 C\n0.753207 0.687151 0.944321 O\n0.263364 0.059481 0.867932 O\n0.275975 0.452085 0.822151 O\n0.926296 0.220698 0.655741 O\n0.550080 0.199709 0.644871 O\n0.256048 0.867913 0.578626 O\n0.731710 0.548548 0.517671 O\n0.231710 0.451452 0.482329 O\n0.756048 0.132087 0.421374 O\n0.050080 0.800291 0.355129 O\n0.426296 0.779302 0.344259 O\n0.775975 0.547915 0.177849 O\n0.763364 0.940519 0.132068 O\n0.253207 0.312849 0.055679 O\n",
"nsites": 22,
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{
"id": "mp-39684",
"created_at": "2022-09-04T14:42:15.057788Z",
"structure_string": "Gd4 Ti4 Cd4 Sb4 O28\n1.0\n7.323776 0.000000 0.000000\n0.000000 7.323776 0.000000\n0.000000 0.000000 10.392180\nGd Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.735613 0.000000 Gd\n0.000000 0.264387 0.500000 Gd\n0.264387 0.000000 0.250000 Gd\n0.735613 0.000000 0.750000 Gd\n0.762437 0.000000 0.250000 Ti\n0.000000 0.762437 0.500000 Ti\n0.237563 0.000000 0.750000 Ti\n0.000000 0.237563 0.000000 Ti\n0.500000 0.742079 0.000000 Cd\n0.257921 0.500000 0.250000 Cd\n0.500000 0.257921 0.500000 Cd\n0.742079 0.500000 0.750000 Cd\n0.244400 0.500000 0.750000 Sb\n0.500000 0.755600 0.500000 Sb\n0.500000 0.244400 0.000000 Sb\n0.755600 0.500000 0.250000 Sb\n0.252869 0.747131 0.125000 O\n0.551416 0.946395 0.368183 O\n0.765131 0.750739 0.176523 O\n0.747131 0.252869 0.625000 O\n0.951872 0.951872 0.375000 O\n0.048128 0.048128 0.875000 O\n0.053605 0.448584 0.881817 O\n0.048128 0.951872 0.625000 O\n0.249261 0.234869 0.073477 O\n0.234869 0.249261 0.676523 O\n0.249261 0.765131 0.426523 O\n0.448584 0.946395 0.631817 O\n0.448584 0.053605 0.868183 O\n0.450484 0.450484 0.875000 O\n0.549516 0.549516 0.375000 O\n0.551416 0.053605 0.131817 O\n0.549516 0.450484 0.125000 O\n0.750739 0.765131 0.573477 O\n0.765131 0.249261 0.323477 O\n0.747131 0.747131 0.875000 O\n0.750739 0.234869 0.926523 O\n0.946395 0.551416 0.381817 O\n0.951872 0.048128 0.125000 O\n0.946395 0.448584 0.118183 O\n0.053605 0.551416 0.618183 O\n0.234869 0.750739 0.823477 O\n0.252869 0.252869 0.375000 O\n0.450484 0.549516 0.625000 O\n",
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"formula_full": "Gd4 Ti4 Cd4 Sb4 O28",
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},
{
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