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{
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"results": [
{
"id": "mp-758698",
"created_at": "2022-09-04T14:46:54.328133Z",
"structure_string": "Li13 Mn8 O24\n1.0\n-4.976420 0.000000 0.000000\n-0.052364 -8.656924 0.000000\n1.719987 2.970878 9.590836\nLi Mn O\n13 8 24\ndirect\n0.238899 0.924222 0.248644 Li\n0.228412 0.922314 0.753490 Li\n0.000000 0.000000 0.500000 Li\n0.771588 0.077686 0.246510 Li\n0.747183 0.745676 0.246702 Li\n0.725257 0.423898 0.250356 Li\n0.761101 0.075778 0.751356 Li\n0.752737 0.751390 0.749007 Li\n0.730877 0.421493 0.748072 Li\n0.269123 0.578507 0.251928 Li\n0.247263 0.248610 0.250993 Li\n0.274743 0.576102 0.749644 Li\n0.252817 0.254324 0.753298 Li\n0.001261 0.665727 0.999687 Mn\n0.998739 0.334273 0.000313 Mn\n0.003112 0.663649 0.499913 Mn\n0.996888 0.336351 0.500087 Mn\n0.500199 0.166485 0.000221 Mn\n0.499801 0.833515 0.999779 Mn\n0.500120 0.168630 0.499976 Mn\n0.499880 0.831370 0.500024 Mn\n0.139948 0.140853 0.385160 O\n0.142549 0.781605 0.388040 O\n0.090179 0.460583 0.385351 O\n0.911817 0.539489 0.114466 O\n0.146391 0.146831 0.883399 O\n0.147321 0.774393 0.885002 O\n0.852679 0.225607 0.114998 O\n0.853609 0.853169 0.116601 O\n0.088183 0.460511 0.885534 O\n0.909821 0.539417 0.614649 O\n0.857451 0.218395 0.611960 O\n0.860052 0.859147 0.614840 O\n0.646645 0.645274 0.383354 O\n0.644879 0.276284 0.385816 O\n0.604718 0.962048 0.388964 O\n0.410638 0.038983 0.114461 O\n0.647274 0.647006 0.882664 O\n0.646213 0.274561 0.885710 O\n0.353787 0.725439 0.114290 O\n0.352726 0.352994 0.117336 O\n0.589362 0.961017 0.885539 O\n0.395282 0.037952 0.611036 O\n0.355121 0.723716 0.614184 O\n0.353355 0.354726 0.616646 O\n",
"nsites": 45,
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"elements": [
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"Mn",
"O"
],
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"density": 3.672201799088798,
"density_atomic": 0.10891192077953397,
"volume": 413.17791182006323,
"volume_molar": 5.5293678753406414,
"formula_full": "Li13 Mn8 O24",
"formula_reduced": "Li13Mn8O24",
"formula_anonymous": "A8B13C24",
"energy": -307.94020262,
"energy_per_atom": -6.843115613777777,
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"updated_at": "2021-11-28T01:37:42.455000Z",
"spacegroup": 2
},
{
"id": "mp-1192877",
"created_at": "2022-09-04T14:46:54.788416Z",
"structure_string": "Ti6 Al16 Co7\n1.0\n-5.885379 -5.885379 0.000000\n-5.885379 0.000000 -5.885379\n0.000000 -5.885379 -5.885379\nTi Al Co\n6 16 7\ndirect\n0.690582 0.309418 0.309418 Ti\n0.690582 0.309418 0.690582 Ti\n0.690582 0.690582 0.309418 Ti\n0.309418 0.690582 0.690582 Ti\n0.309418 0.690582 0.309418 Ti\n0.309418 0.309418 0.690582 Ti\n0.643645 0.118785 0.118785 Al\n0.118785 0.643645 0.118785 Al\n0.118785 0.118785 0.643645 Al\n0.118785 0.118785 0.118785 Al\n0.356355 0.881215 0.881215 Al\n0.881215 0.356355 0.881215 Al\n0.881215 0.881215 0.356355 Al\n0.881215 0.881215 0.881215 Al\n0.981249 0.339584 0.339584 Al\n0.339584 0.981249 0.339584 Al\n0.339584 0.339584 0.981249 Al\n0.339584 0.339584 0.339584 Al\n0.018751 0.660416 0.660416 Al\n0.660416 0.018751 0.660416 Al\n0.660416 0.660416 0.018751 Al\n0.660416 0.660416 0.660416 Al\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ti",
"density": 4.608153463441503,
"density_atomic": 0.07112867135300832,
"volume": 407.7118192757227,
"volume_molar": 8.466544707565804,
"formula_full": "Ti6 Al16 Co7",
"formula_reduced": "Ti6Al16Co7",
"formula_anonymous": "A6B7C16",
"energy": -171.90485477,
"energy_per_atom": -5.92775361275862,
"energy_above_hull": null,
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"energy_uncorrected": -171.90485477,
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"updated_at": "2021-11-28T01:37:49.860000Z",
"spacegroup": 225
},
{
"id": "mp-1383877",
"created_at": "2022-09-04T14:46:54.793591Z",
"structure_string": "Ta1 Zn2 W1 O6\n1.0\n-2.792671 2.848866 4.028080\n2.792671 -2.848866 4.028080\n2.792671 2.848866 -4.028080\nTa Zn W O\n1 2 1 6\ndirect\n0.000000 0.014257 0.014257 Ta\n0.750694 0.217497 0.466802 Zn\n0.249306 0.716108 0.466802 Zn\n0.500000 0.517045 0.017045 W\n0.753355 0.788334 0.034979 O\n0.246645 0.281624 0.034979 O\n0.756983 0.280653 0.037636 O\n0.243017 0.280653 0.523670 O\n0.750196 0.774881 0.525077 O\n0.249804 0.774881 0.024685 O\n",
"nsites": 10,
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"elements": [
"Ta",
"Zn",
"W",
"O"
],
"chemical_system": "O-Ta-W-Zn",
"density": 7.663533506752387,
"density_atomic": 0.07800997236283139,
"volume": 128.18873917156517,
"volume_molar": 7.719706311380914,
"formula_full": "Ta1 Zn2 W1 O6",
"formula_reduced": "TaZn2WO6",
"formula_anonymous": "ABC2D6",
"energy": -75.65270427,
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"energy_above_hull": null,
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"energy_uncorrected": -67.09270427,
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"updated_at": "2021-11-28T01:37:46.796000Z",
"spacegroup": 44
},
{
"id": "mp-758275",
"created_at": "2022-09-04T14:46:54.800784Z",
"structure_string": "Li12 Ni21 O36\n1.0\n-4.986261 0.015576 -0.013534\n-2.449910 13.069686 -0.006009\n0.804142 -1.460590 -9.535998\nLi Ni O\n12 21 36\ndirect\n0.782437 0.937567 0.002477 Li\n0.806872 0.641702 0.245204 Li\n0.725658 0.554567 0.493979 Li\n0.604546 0.780017 0.495879 Li\n0.447839 0.613049 0.005315 Li\n0.476164 0.308507 0.242379 Li\n0.141504 0.972755 0.255596 Li\n0.403450 0.215558 0.495615 Li\n0.052645 0.892692 0.493994 Li\n0.275147 0.443973 0.494639 Li\n0.234038 0.051436 0.005867 Li\n0.110528 0.286136 0.003432 Li\n0.995897 0.503796 0.005294 Ni\n0.972291 0.805651 0.751414 Ni\n0.906295 0.418871 0.251167 Ni\n0.691547 0.860487 0.248033 Ni\n0.830251 0.329842 0.495956 Ni\n0.856501 0.028465 0.749930 Ni\n0.750155 0.250050 0.750768 Ni\n0.666701 0.169742 0.003890 Ni\n0.640766 0.470500 0.750455 Ni\n0.527309 0.695516 0.749510 Ni\n0.413938 0.916521 0.751188 Ni\n0.328361 0.832343 0.002770 Ni\n0.586453 0.083472 0.248770 Ni\n0.362162 0.526500 0.251543 Ni\n0.239571 0.750961 0.249852 Ni\n0.489698 0.001360 0.496417 Ni\n0.156813 0.668101 0.496800 Ni\n0.303229 0.137218 0.751147 Ni\n0.194378 0.363076 0.750642 Ni\n0.078306 0.584027 0.749973 Ni\n0.031854 0.194056 0.249326 Ni\n0.931321 0.769987 0.362529 O\n0.788072 0.980693 0.357114 O\n0.845946 0.675661 0.637479 O\n0.950435 0.451313 0.617516 O\n0.714433 0.907528 0.635772 O\n0.777861 0.588790 0.861600 O\n0.822265 0.278873 0.132241 O\n0.482624 0.949614 0.132956 O\n0.677588 0.511565 0.143380 O\n0.901976 0.377686 0.868916 O\n0.982203 0.157351 0.858472 O\n0.627150 0.820230 0.857192 O\n0.893308 0.082401 0.137727 O\n0.542901 0.746922 0.143043 O\n0.601320 0.435037 0.364093 O\n0.733332 0.211246 0.365905 O\n0.398024 0.873697 0.367726 O\n0.455827 0.649859 0.359843 O\n0.524111 0.342750 0.637499 O\n0.593313 0.123566 0.633360 O\n0.284053 0.790349 0.622785 O\n0.386178 0.577877 0.638465 O\n0.445895 0.251962 0.861323 O\n0.115730 0.928623 0.869630 O\n0.153990 0.614588 0.135733 O\n0.348847 0.173929 0.139960 O\n0.551309 0.046230 0.882630 O\n0.010488 0.844731 0.142474 O\n0.238674 0.707515 0.865601 O\n0.292746 0.487342 0.855433 O\n0.211113 0.415397 0.143661 O\n0.283014 0.102477 0.359082 O\n0.069317 0.540382 0.369442 O\n0.121084 0.316776 0.362246 O\n0.201678 0.012350 0.642043 O\n0.057280 0.249095 0.642747 O\n",
"nsites": 69,
"nelements": 3,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 5.056890471259273,
"density_atomic": 0.11107108625133355,
"volume": 621.2237795520035,
"volume_molar": 5.421879773799094,
"formula_full": "Li12 Ni21 O36",
"formula_reduced": "Li4Ni7O12",
"formula_anonymous": "A4B7C12",
"energy": -414.17593252,
"energy_per_atom": -6.002549746666666,
"energy_above_hull": null,
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"energy_uncorrected": -336.08293252,
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"updated_at": "2021-11-28T01:37:42.920000Z",
"spacegroup": 1
},
{
"id": "mp-1177602",
"created_at": "2022-09-04T14:46:54.802444Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.656112 0.000000 0.000000\n-4.189977 -7.603342 0.000000\n-3.995332 2.060314 -14.449974\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.752993 0.697960 0.317509 Li\n0.715724 0.815403 0.549251 Li\n0.715561 0.314302 0.054159 Li\n0.256696 0.827573 0.189346 Li\n0.677753 0.786721 0.830022 Li\n0.680240 0.287718 0.331201 Li\n0.222048 0.729414 0.636249 Li\n0.225326 0.235237 0.134395 Li\n0.743177 0.183619 0.813756 Li\n0.244222 0.320819 0.688089 Li\n0.181294 0.637311 0.978141 Li\n0.179682 0.142784 0.479037 Li\n0.863089 0.718077 0.073927 Mn\n0.348272 0.965889 0.818044 Mn\n0.854435 0.218001 0.571668 Mn\n0.137457 0.276857 0.923633 Mn\n0.636983 0.526664 0.680523 V\n0.357284 0.468582 0.319673 V\n0.138562 0.784922 0.424251 V\n0.646037 0.028466 0.181034 V\n0.943053 0.988492 0.732078 P\n0.955133 0.489253 0.235168 P\n0.257379 0.977747 0.022943 P\n0.538008 0.897938 0.374596 P\n0.460825 0.599787 0.123797 P\n0.748233 0.519789 0.476769 P\n0.250964 0.479087 0.524071 P\n0.530524 0.392388 0.875607 P\n0.452074 0.096563 0.624496 P\n0.763912 0.023422 0.978635 P\n0.041237 0.516905 0.765973 P\n0.046157 0.015934 0.264919 P\n0.844935 0.976866 0.241159 O\n0.916502 0.541126 0.135333 O\n0.939724 0.601627 0.308065 O\n0.677174 0.983867 0.470193 O\n0.910012 0.700716 0.468342 O\n0.657093 0.650441 0.123722 O\n0.451133 0.767994 0.148875 O\n0.548687 0.730366 0.348869 O\n0.786045 0.793741 0.724559 O\n0.796404 0.295888 0.227616 O\n0.102265 0.793949 0.038080 O\n0.337829 0.843146 0.369657 O\n0.067931 0.903414 0.196234 O\n0.294367 0.991304 0.534395 O\n0.814863 0.874466 0.994255 O\n0.686590 0.563601 0.555088 O\n0.306280 0.500628 0.032849 O\n0.417530 0.972251 0.701409 O\n0.617688 0.957808 0.882391 O\n0.802896 0.373132 0.491436 O\n0.702046 0.069605 0.056373 O\n0.088497 0.972932 0.366145 O\n0.422065 0.474015 0.199466 O\n0.595676 0.446365 0.380771 O\n0.841527 0.482748 0.739564 O\n0.148153 0.512280 0.258722 O\n0.410786 0.555094 0.616478 O\n0.420933 0.056104 0.113680 O\n0.905202 0.041398 0.632088 O\n0.580561 0.524447 0.803715 O\n0.304562 0.924705 0.940598 O\n0.189359 0.619494 0.508780 O\n0.583277 0.029130 0.301898 O\n0.304923 0.432080 0.443130 O\n0.198596 0.119996 0.008248 O\n0.924281 0.099383 0.803655 O\n0.669169 0.474108 0.971579 O\n0.933857 0.207786 0.976162 O\n0.646534 0.148381 0.622252 O\n0.185648 0.713331 0.763712 O\n0.185482 0.211049 0.261997 O\n0.438843 0.263122 0.647165 O\n0.536182 0.221434 0.848608 O\n0.094815 0.293743 0.536637 O\n0.329612 0.343755 0.867512 O\n0.062060 0.408348 0.694213 O\n0.078912 0.468312 0.865313 O\n0.135991 0.013900 0.755048 O\n",
"nsites": 80,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.874799391126918,
"density_atomic": 0.08411927649304048,
"volume": 951.0305287352147,
"volume_molar": 7.159049638875861,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.92929787,
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"updated_at": "2021-11-28T01:37:48.976000Z",
"spacegroup": 1
},
{
"id": "mp-772154",
"created_at": "2022-09-04T14:46:54.829003Z",
"structure_string": "Na8 V4 Si4 C4 O28\n1.0\n0.000000 6.618298 0.000000\n-8.828149 0.000000 5.271529\n9.249414 -0.000001 5.529104\nNa V Si C O\n8 4 4 4 28\ndirect\n0.499860 0.007444 0.227726 Na\n0.499844 0.507418 0.727707 Na\n0.000141 0.007447 0.227727 Na\n0.000156 0.507420 0.727708 Na\n0.500149 0.992639 0.772350 Na\n0.500134 0.492614 0.272347 Na\n0.999851 0.992640 0.772350 Na\n0.999866 0.492616 0.272347 Na\n0.750000 0.718962 0.077135 V\n0.249999 0.780908 0.422772 V\n0.750001 0.219047 0.577183 V\n0.250000 0.280854 0.922737 V\n0.250000 0.149554 0.582105 Si\n0.250000 0.649678 0.082194 Si\n0.750000 0.850241 0.417767 Si\n0.750000 0.350342 0.917853 Si\n0.750000 0.321984 0.405438 C\n0.750000 0.821978 0.905463 C\n0.250000 0.678131 0.594573 C\n0.250000 0.178125 0.094586 C\n0.250000 0.130303 0.182306 O\n0.250000 0.630329 0.682310 O\n0.750000 0.869859 0.817740 O\n0.750000 0.369869 0.317734 O\n0.750000 0.405006 0.542752 O\n0.750000 0.904949 0.042757 O\n0.250000 0.595049 0.457250 O\n0.250000 0.095030 0.957260 O\n0.750000 0.179462 0.368751 O\n0.750000 0.679412 0.868710 O\n0.250000 0.820656 0.631200 O\n0.250000 0.320625 0.131186 O\n0.750000 0.859132 0.267618 O\n0.750000 0.359163 0.767636 O\n0.250000 0.140730 0.732355 O\n0.250000 0.640765 0.232368 O\n0.250000 0.974061 0.455425 O\n0.250000 0.474024 0.955388 O\n0.750000 0.025963 0.544576 O\n0.750000 0.525934 0.044535 O\n0.047712 0.232494 0.570712 O\n0.047710 0.732509 0.070737 O\n0.452288 0.232493 0.570712 O\n0.452290 0.732509 0.070736 O\n0.547717 0.767388 0.429277 O\n0.547725 0.267425 0.929315 O\n0.952283 0.767389 0.429277 O\n0.952275 0.267425 0.929315 O\n",
"nsites": 48,
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"elements": [
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"V",
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"C",
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],
"chemical_system": "C-Na-O-Si-V",
"density": 2.561339706897579,
"density_atomic": 0.0743322438550697,
"volume": 645.7493748418069,
"volume_molar": 8.101653397873676,
"formula_full": "Na8 V4 Si4 C4 O28",
"formula_reduced": "Na2VSiCO7",
"formula_anonymous": "ABCD2E7",
"energy": -362.0789629,
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"energy_uncorrected": -336.0429629,
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"updated_at": "2021-11-28T01:37:47.309000Z",
"spacegroup": 11
},
{
"id": "mp-1025032",
"created_at": "2022-09-04T14:46:54.843099Z",
"structure_string": "Pu2 Cu4\n1.0\n-2.175569 3.322862 3.695732\n2.175569 -3.322862 3.695732\n2.175569 3.322862 -3.695732\nPu Cu\n2 4\ndirect\n0.798680 0.548680 0.250000 Pu\n0.201320 0.451320 0.750000 Pu\n0.221277 0.163322 0.057955 Cu\n0.778723 0.836678 0.942045 Cu\n0.605368 0.163322 0.442045 Cu\n0.394632 0.836678 0.557955 Cu\n",
"nsites": 6,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-Pu",
"density": 11.5322767587859,
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"volume": 106.86749480466005,
"volume_molar": 10.72618493970386,
"formula_full": "Pu2 Cu4",
"formula_reduced": "PuCu2",
"formula_anonymous": "AB2",
"energy": -45.03531486,
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}