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{
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{
"id": "mp-25406",
"created_at": "2022-09-04T14:47:21.699762Z",
"structure_string": "Li2 Fe2 P2 C2 O14\n1.0\n6.438912 0.000000 0.000000\n0.000000 5.212629 0.000000\n0.000000 0.628567 8.629733\nLi Fe P C O\n2 2 2 2 14\ndirect\n0.981034 0.702804 0.215755 Li\n0.481034 0.297196 0.784245 Li\n0.746945 0.286748 0.351516 Fe\n0.246945 0.713252 0.648484 Fe\n0.254199 0.233840 0.423632 P\n0.754199 0.766160 0.576368 P\n0.752087 0.221434 0.065485 C\n0.252087 0.778566 0.934515 C\n0.446710 0.294524 0.323090 O\n0.761334 0.448423 0.118229 O\n0.277159 0.966859 0.828539 O\n0.777159 0.033141 0.171461 O\n0.561981 0.673432 0.670647 O\n0.768241 0.636639 0.420257 O\n0.946710 0.705476 0.676910 O\n0.261334 0.551577 0.881771 O\n0.061981 0.326568 0.329353 O\n0.239529 0.937305 0.464180 O\n0.713981 0.188113 0.926166 O\n0.213981 0.811887 0.073834 O\n0.739529 0.062695 0.535820 O\n0.268241 0.363361 0.579743 O\n",
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"elements": [
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"formula_full": "Li2 Fe2 P2 C2 O14",
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"spacegroup": 4
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{
"id": "mp-766935",
"created_at": "2022-09-04T14:48:28.276279Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.252842 0.000000 0.000000\n-0.212672 9.088036 0.000000\n-0.042712 -0.361849 10.467371\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.467291 0.240716 0.376229 Na\n0.028638 0.241412 0.876891 Na\n0.974238 0.759697 0.119577 Na\n0.974976 0.760715 0.621665 Na\n0.748283 0.342151 0.108782 Mn\n0.751674 0.342043 0.609031 Mn\n0.260469 0.657831 0.391576 Mn\n0.264563 0.658298 0.891514 Mn\n0.251063 0.433063 0.141464 P\n0.251070 0.432651 0.641583 P\n0.753288 0.567484 0.358905 P\n0.756246 0.567403 0.858911 P\n0.745685 0.076485 0.134459 C\n0.740156 0.076183 0.634694 C\n0.244369 0.922503 0.365232 C\n0.258208 0.923665 0.865251 C\n0.231958 0.056059 0.349940 O\n0.253527 0.057284 0.850081 O\n0.750468 0.140952 0.023717 O\n0.733969 0.141022 0.524028 O\n0.740641 0.176856 0.229317 O\n0.745611 0.176758 0.729710 O\n0.056342 0.330098 0.104107 O\n0.442667 0.332037 0.113248 O\n0.056423 0.325761 0.615373 O\n0.442768 0.335777 0.602800 O\n0.250788 0.474158 0.287285 O\n0.745503 0.425041 0.434268 O\n0.253206 0.474482 0.787307 O\n0.757908 0.425048 0.934265 O\n0.250029 0.575097 0.065652 O\n0.762319 0.526569 0.213121 O\n0.241774 0.574152 0.565439 O\n0.763190 0.526557 0.713112 O\n0.563430 0.669044 0.389698 O\n0.949455 0.669425 0.394886 O\n0.566868 0.667700 0.891903 O\n0.952770 0.671002 0.892826 O\n0.249802 0.821852 0.270489 O\n0.260261 0.822625 0.770484 O\n0.253889 0.858745 0.476236 O\n0.260601 0.859206 0.976225 O\n0.746045 0.942138 0.149408 O\n0.743374 0.942260 0.649311 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
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"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.600809400320661,
"density_atomic": 0.07397203484592835,
"volume": 594.8193812924683,
"volume_molar": 8.14110463845308,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.65428839000003,
"energy_per_atom": -7.60577928159091,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:44.703000Z",
"spacegroup": 1
},
{
"id": "mp-756880",
"created_at": "2022-09-04T14:39:18.010153Z",
"structure_string": "K2 Ce2 P2 C2 O14\n1.0\n7.092321 0.000000 0.000000\n0.000000 5.818369 0.000000\n0.000000 0.086244 10.193922\nK Ce P C O\n2 2 2 2 14\ndirect\n0.543098 0.750984 0.781193 K\n0.043098 0.249016 0.218807 K\n0.225037 0.218664 0.650258 Ce\n0.725037 0.781336 0.349742 Ce\n0.732778 0.281243 0.564641 P\n0.232778 0.718757 0.435359 P\n0.267599 0.274428 0.915888 C\n0.767599 0.725572 0.084112 C\n0.776849 0.694191 0.964630 O\n0.261578 0.069253 0.858256 O\n0.260927 0.446279 0.826541 O\n0.908980 0.230189 0.650228 O\n0.552409 0.217398 0.642588 O\n0.245600 0.863248 0.563530 O\n0.727296 0.541874 0.527217 O\n0.227296 0.458126 0.472783 O\n0.745600 0.136752 0.436470 O\n0.052409 0.782602 0.357412 O\n0.408980 0.769811 0.349772 O\n0.760927 0.553721 0.173459 O\n0.761578 0.930747 0.141744 O\n0.276849 0.305809 0.035370 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"Ce",
"P",
"C",
"O"
],
"chemical_system": "C-Ce-K-O-P",
"density": 2.6384418161674676,
"density_atomic": 0.052298800752100805,
"volume": 420.65974140174285,
"volume_molar": 11.514873521756794,
"formula_full": "K2 Ce2 P2 C2 O14",
"formula_reduced": "KCePCO7",
"formula_anonymous": "ABCDE7",
"energy": -173.5748892,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.683000Z",
"spacegroup": 4
},
{
"id": "mp-1101664",
"created_at": "2022-09-04T14:39:34.735356Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.232353 0.000000 0.000000\n-0.241321 10.408132 0.000000\n-0.012309 -4.792419 9.289598\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.954772 0.763795 0.757075 Na\n0.556018 0.761980 0.257396 Na\n0.039491 0.232763 0.737149 Na\n0.041159 0.234755 0.237724 Na\n0.250136 0.654087 0.934647 Mn\n0.250387 0.654220 0.435111 Mn\n0.733867 0.345876 0.566055 Mn\n0.737033 0.345688 0.065437 Mn\n0.747111 0.563731 0.920349 P\n0.751914 0.564053 0.420634 P\n0.240655 0.436079 0.580508 P\n0.242157 0.435776 0.079849 P\n0.254418 0.911585 0.094226 C\n0.264405 0.911837 0.594726 C\n0.752595 0.090047 0.405718 C\n0.740314 0.088713 0.905698 C\n0.769283 0.960276 0.322974 O\n0.748257 0.958609 0.823262 O\n0.248488 0.851934 0.952229 O\n0.273874 0.852279 0.452957 O\n0.263418 0.808450 0.136020 O\n0.258964 0.808603 0.636694 O\n0.941713 0.665776 0.932465 O\n0.555650 0.662413 0.939395 O\n0.945286 0.671401 0.448245 O\n0.559192 0.657211 0.424838 O\n0.745052 0.523687 0.546624 O\n0.239407 0.575719 0.723829 O\n0.749451 0.523883 0.046756 O\n0.247363 0.574984 0.223677 O\n0.746770 0.424806 0.776528 O\n0.232827 0.475325 0.953244 O\n0.764779 0.426317 0.276444 O\n0.233228 0.475255 0.453593 O\n0.430176 0.337471 0.565268 O\n0.044657 0.334562 0.567072 O\n0.433431 0.338265 0.065126 O\n0.047653 0.332624 0.064467 O\n0.746073 0.193636 0.364587 O\n0.739507 0.192252 0.864107 O\n0.740240 0.147585 0.547123 O\n0.734579 0.147658 0.047530 O\n0.251529 0.041892 0.176216 O\n0.256922 0.042140 0.676429 O\n",
"nsites": 44,
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"elements": [
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],
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"density": 2.5672719823711967,
"density_atomic": 0.0730181660045998,
"volume": 602.5897719374136,
"volume_molar": 8.247455516235007,
"formula_full": "Na4 Mn4 P4 C4 O28",
"formula_reduced": "NaMnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -334.85078764,
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"updated_at": "2021-11-28T01:34:24.036000Z",
"spacegroup": 1
},
{
"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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],
"chemical_system": "C-Ge-Li-O-P",
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"volume_molar": 7.428511387692691,
"formula_full": "Li2 Ge2 P2 C2 O14",
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"updated_at": "2021-11-28T01:36:23.275000Z",
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},
{
"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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],
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"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
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{
"id": "mp-1223559",
"created_at": "2022-09-04T14:42:21.535652Z",
"structure_string": "K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n",
"nsites": 16,
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"elements": [
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"Cr",
"Cd",
"C",
"N",
"O"
],
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"density": 1.783548086221771,
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"volume": 349.7039161392246,
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"formula_full": "K1 Cr1 Cd1 C6 N6 O1",
"formula_reduced": "KCrCdC6N6O",
"formula_anonymous": "ABCDE6F6",
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{
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