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{
"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",
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"formula_full": "Li2 Ge2 P2 C2 O14",
"formula_reduced": "LiGePCO7",
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{
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"structure_string": "Na2 Cr2 C2 S2 O14\n1.0\n6.434282 0.000000 0.000000\n0.000000 5.296498 0.000000\n0.000000 0.370976 9.054003\nNa Cr C S O\n2 2 2 2 14\ndirect\n0.514888 0.761640 0.778949 Na\n0.014888 0.238360 0.221051 Na\n0.240597 0.220547 0.659829 Cr\n0.740597 0.779453 0.340171 Cr\n0.257713 0.275801 0.921757 C\n0.757713 0.724199 0.078243 C\n0.745287 0.276729 0.571830 S\n0.245287 0.723271 0.428170 S\n0.756839 0.693236 0.944658 O\n0.255078 0.053378 0.857857 O\n0.258777 0.463032 0.817235 O\n0.925764 0.217239 0.667193 O\n0.560255 0.197294 0.660626 O\n0.254536 0.861191 0.567356 O\n0.732416 0.554533 0.535582 O\n0.232416 0.445467 0.464418 O\n0.754536 0.138809 0.432644 O\n0.060255 0.802706 0.339374 O\n0.425764 0.782761 0.332807 O\n0.758777 0.536968 0.182765 O\n0.755078 0.946622 0.142143 O\n0.256839 0.306764 0.055342 O\n",
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"elements": [
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],
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"density_atomic": 0.07130059319019279,
"volume": 308.5528326716087,
"volume_molar": 8.446129955659792,
"formula_full": "Na2 Cr2 C2 S2 O14",
"formula_reduced": "NaCrCSO7",
"formula_anonymous": "ABCDE7",
"energy": -162.44196051,
"energy_per_atom": -7.383725477727273,
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"updated_at": "2021-11-28T01:37:16.753000Z",
"spacegroup": 4
},
{
"id": "mp-768143",
"created_at": "2022-09-04T14:42:09.455748Z",
"structure_string": "Na2 Ge2 P2 C2 O14\n1.0\n6.320792 0.000000 0.000000\n0.000000 5.130517 0.000000\n0.000000 0.419691 8.974418\nNa Ge P C O\n2 2 2 2 14\ndirect\n0.522540 0.762392 0.775026 Na\n0.022540 0.237608 0.224974 Na\n0.235334 0.216585 0.660956 Ge\n0.735334 0.783415 0.339044 Ge\n0.744816 0.272943 0.564754 P\n0.244816 0.727057 0.435246 P\n0.256261 0.275690 0.920063 C\n0.756261 0.724310 0.079937 C\n0.759419 0.690016 0.945636 O\n0.251089 0.045054 0.855748 O\n0.255399 0.468178 0.811284 O\n0.937090 0.212857 0.665613 O\n0.550229 0.202436 0.661197 O\n0.253135 0.881752 0.579316 O\n0.736840 0.572171 0.518496 O\n0.236840 0.427829 0.481504 O\n0.753135 0.118248 0.420684 O\n0.050229 0.797564 0.338803 O\n0.437090 0.787143 0.334387 O\n0.755399 0.531822 0.188716 O\n0.751089 0.954946 0.144252 O\n0.259419 0.309984 0.054364 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.859819479457906,
"density_atomic": 0.07559337871920473,
"volume": 291.03078037720826,
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"formula_full": "Na2 Ge2 P2 C2 O14",
"formula_reduced": "NaGePCO7",
"formula_anonymous": "ABCDE7",
"energy": -159.09191302,
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"updated_at": "2021-11-28T01:35:32.227000Z",
"spacegroup": 4
},
{
"id": "mp-1176697",
"created_at": "2022-09-04T14:40:17.629367Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n5.146124 0.000000 0.000000\n0.328751 6.311841 0.000000\n0.403377 0.446236 8.853743\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.301354 0.531595 0.273450 Li\n0.698646 0.468405 0.726550 Li\n0.791347 0.754884 0.146478 Fe\n0.208653 0.245116 0.853522 Fe\n0.690069 0.258460 0.072982 P\n0.309931 0.741540 0.927018 P\n0.729560 0.728489 0.435748 C\n0.270440 0.271511 0.564252 C\n0.528741 0.764324 0.353786 O\n0.950247 0.707697 0.360007 O\n0.284577 0.284298 0.422085 O\n0.676507 0.448377 0.177153 O\n0.814548 0.061682 0.155073 O\n0.149016 0.681457 0.076042 O\n0.407319 0.217407 0.031589 O\n0.592681 0.782593 0.968411 O\n0.850984 0.318543 0.923958 O\n0.323493 0.551623 0.822847 O\n0.185452 0.938318 0.844927 O\n0.715423 0.715702 0.577915 O\n0.471259 0.235676 0.646214 O\n0.049753 0.292303 0.639993 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.5148175432880446,
"density_atomic": 0.07649965429582847,
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"formula_full": "Li2 Fe2 P2 C2 O14",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
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"updated_at": "2021-11-28T01:34:53.015000Z",
"spacegroup": 2
},
{
"id": "mp-775916",
"created_at": "2022-09-04T14:40:12.601961Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n6.581086 0.000000 0.000000\n0.000000 5.096191 0.000000\n0.000000 0.712868 8.483545\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.250000 0.757359 0.092626 Li\n0.750000 0.242641 0.907374 Li\n0.750000 0.801745 0.323234 Sn\n0.250000 0.198255 0.676766 Sn\n0.250000 0.719695 0.419498 P\n0.750000 0.280305 0.580502 P\n0.750000 0.698617 0.034976 C\n0.250000 0.301383 0.965024 C\n0.750000 0.948187 0.076919 O\n0.250000 0.363343 0.103341 O\n0.750000 0.521317 0.158542 O\n0.067191 0.796010 0.309867 O\n0.432809 0.796010 0.309867 O\n0.750000 0.145076 0.425179 O\n0.250000 0.419181 0.466160 O\n0.750000 0.580819 0.533840 O\n0.250000 0.854924 0.574821 O\n0.567191 0.203990 0.690133 O\n0.932809 0.203990 0.690133 O\n0.250000 0.478683 0.841458 O\n0.750000 0.636657 0.896659 O\n0.250000 0.051813 0.923081 O\n",
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"elements": [
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],
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"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
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"energy": -160.09860458,
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"spacegroup": 11
},
{
"id": "mp-770237",
"created_at": "2022-09-04T14:40:25.452681Z",
"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.232254 0.000000 0.000000\n0.000000 8.373659 0.000000\n0.000000 0.748157 10.202424\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.530570 0.743300 0.876525 Li\n0.969430 0.743300 0.376525 Li\n0.030570 0.256700 0.623475 Li\n0.469430 0.256700 0.123475 Li\n0.252270 0.670044 0.602909 Mn\n0.247730 0.670044 0.102909 Mn\n0.752270 0.329956 0.897091 Mn\n0.747730 0.329956 0.397091 Mn\n0.753192 0.573799 0.637839 P\n0.746808 0.573799 0.137839 P\n0.253192 0.426201 0.862161 P\n0.246808 0.426201 0.362161 P\n0.250486 0.949378 0.644927 C\n0.249514 0.949378 0.144927 C\n0.750487 0.050622 0.855073 C\n0.749514 0.050622 0.355073 C\n0.243561 0.894796 0.527478 O\n0.735645 0.909458 0.830543 O\n0.256439 0.894796 0.027478 O\n0.272457 0.827792 0.735381 O\n0.764355 0.909458 0.330543 O\n0.227543 0.827792 0.235381 O\n0.942329 0.687988 0.597764 O\n0.556037 0.672329 0.590897 O\n0.943963 0.672329 0.090897 O\n0.557671 0.687988 0.097764 O\n0.277297 0.585356 0.928440 O\n0.740831 0.534471 0.789025 O\n0.222703 0.585356 0.428440 O\n0.759169 0.534471 0.289025 O\n0.240831 0.465529 0.710975 O\n0.777297 0.414644 0.571560 O\n0.259169 0.465529 0.210975 O\n0.722703 0.414644 0.071560 O\n0.056037 0.327671 0.909103 O\n0.442329 0.312012 0.902236 O\n0.443963 0.327671 0.409103 O\n0.057671 0.312012 0.402236 O\n0.772457 0.172208 0.764619 O\n0.235645 0.090542 0.669457 O\n0.727543 0.172208 0.264619 O\n0.743561 0.105204 0.972522 O\n0.264355 0.090542 0.169457 O\n0.756439 0.105204 0.472522 O\n",
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"formula_full": "Li4 Mn4 P4 C4 O28",
"formula_reduced": "LiMnPCO7",
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{
"id": "mp-756295",
"created_at": "2022-09-04T14:40:24.618784Z",
"structure_string": "Li4 V4 As4 C4 O28\n1.0\n0.250783 6.429424 5.504417\n0.249376 -6.430162 5.505452\n8.672941 0.001361 -5.445789\nLi V As C O\n4 4 4 4 28\ndirect\n0.497078 0.917088 0.167080 Li\n0.997117 0.417095 0.167156 Li\n0.832782 0.752793 0.832778 Li\n0.332792 0.252848 0.832840 Li\n0.427715 0.692180 0.326143 V\n0.057803 0.822436 0.673885 V\n0.927595 0.192085 0.326083 V\n0.557781 0.322472 0.673891 V\n0.694272 0.460928 0.442581 As\n0.194266 0.960939 0.442609 As\n0.789069 0.055803 0.557427 As\n0.289040 0.555767 0.557419 As\n0.775863 0.016580 0.059003 C\n0.275860 0.516635 0.059069 C\n0.733411 0.474108 0.940973 C\n0.233392 0.974126 0.940948 C\n0.338932 0.027891 0.071647 O\n0.838945 0.527857 0.071670 O\n0.222053 0.411074 0.928347 O\n0.722073 0.911059 0.928290 O\n0.900833 0.167497 0.120163 O\n0.400840 0.667552 0.120199 O\n0.582431 0.349223 0.879836 O\n0.082413 0.849243 0.879818 O\n0.725662 0.993240 0.164588 O\n0.225682 0.493331 0.164673 O\n0.756775 0.524278 0.835391 O\n0.256764 0.024275 0.835344 O\n0.573691 0.549762 0.329523 O\n0.073672 0.049714 0.329507 O\n0.699983 0.176188 0.670399 O\n0.199966 0.676199 0.670384 O\n0.779709 0.341627 0.327397 O\n0.279742 0.841689 0.327414 O\n0.908502 0.970574 0.672704 O\n0.408499 0.470575 0.672716 O\n0.625874 0.904302 0.395541 O\n0.125849 0.404236 0.395534 O\n0.845481 0.624445 0.604462 O\n0.345490 0.124462 0.604481 O\n0.557937 0.327929 0.480626 O\n0.057918 0.827901 0.480604 O\n0.922088 0.192153 0.519418 O\n0.422056 0.692143 0.519440 O\n",
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"volume": 631.4809196025642,
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"formula_full": "Li4 V4 As4 C4 O28",
"formula_reduced": "LiVAsCO7",
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"energy": -327.1119039,
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{
"id": "mp-768161",
"created_at": "2022-09-04T14:41:57.176736Z",
"structure_string": "Li2 Si2 P2 C2 O14\n1.0\n6.030129 0.000000 0.000000\n0.000000 4.968681 0.000000\n0.000000 0.694334 8.409003\nLi Si P C O\n2 2 2 2 14\ndirect\n0.478234 0.768098 0.805464 Li\n0.978234 0.231902 0.194536 Li\n0.248102 0.211335 0.666079 Si\n0.748102 0.788665 0.333921 Si\n0.754262 0.263950 0.567139 P\n0.254262 0.736050 0.432861 P\n0.251544 0.273373 0.931057 C\n0.751544 0.726627 0.068943 C\n0.734665 0.686731 0.927223 O\n0.253141 0.036324 0.866867 O\n0.263510 0.465163 0.808973 O\n0.956779 0.202903 0.672790 O\n0.551918 0.192142 0.672822 O\n0.258380 0.900404 0.580768 O\n0.751613 0.568902 0.507114 O\n0.251613 0.431098 0.492886 O\n0.758380 0.099596 0.419232 O\n0.051918 0.807858 0.327178 O\n0.456779 0.797097 0.327210 O\n0.763510 0.534837 0.191027 O\n0.753141 0.963676 0.133133 O\n0.234665 0.313269 0.072777 O\n",
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"formula_full": "Li2 Si2 P2 C2 O14",
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},
{
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{
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{
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{
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}