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{
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"results": [
{
"id": "mp-762164",
"created_at": "2022-09-04T14:44:04.750747Z",
"structure_string": "Li4 Nb2 Co3 Ni3 O16\n1.0\n5.865033 0.050870 -0.082922\n-2.888727 5.017691 -0.014476\n-0.134663 -0.105432 9.517000\nLi Nb Co Ni O\n4 2 3 3 16\ndirect\n0.321265 0.661055 0.899391 Li\n0.003755 0.002259 0.993370 Li\n0.008268 0.002767 0.493451 Li\n0.664140 0.334708 0.396028 Li\n0.337651 0.663394 0.496998 Nb\n0.653790 0.325289 0.995086 Nb\n0.174268 0.833004 0.216576 Co\n0.170211 0.339701 0.214782 Co\n0.342328 0.170824 0.716641 Co\n0.662393 0.830035 0.213524 Ni\n0.833464 0.662882 0.715581 Ni\n0.832841 0.169975 0.715544 Ni\n0.181271 0.844731 0.593638 O\n0.037810 0.521072 0.331231 O\n0.307219 0.657938 0.113032 O\n0.022065 0.006592 0.304602 O\n0.020353 0.011269 0.804234 O\n0.178842 0.333823 0.594827 O\n0.465870 0.964845 0.336375 O\n0.470601 0.509622 0.338380 O\n0.327782 0.163253 0.105495 O\n0.682107 0.843010 0.588688 O\n0.500955 0.470665 0.843464 O\n0.500490 0.030093 0.842653 O\n0.649624 0.323451 0.616035 O\n0.847821 0.672906 0.092950 O\n0.958283 0.477944 0.842086 O\n0.844531 0.173191 0.093179 O\n",
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"O"
],
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"density_atomic": 0.09950834195776179,
"volume": 281.383444333593,
"volume_molar": 6.051895390394719,
"formula_full": "Li4 Nb2 Co3 Ni3 O16",
"formula_reduced": "Li4Nb2Co3Ni3O16",
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"energy": -197.77679658,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.327000Z",
"spacegroup": 1
},
{
"id": "mp-770521",
"created_at": "2022-09-04T14:44:09.451356Z",
"structure_string": "Li4 V3 Fe3 W2 O16\n1.0\n3.026331 5.236825 0.000000\n-3.026331 5.236825 0.000000\n0.000000 0.161523 9.818872\nLi V Fe W O\n4 3 3 2 16\ndirect\n0.670329 0.670329 0.904742 Li\n0.996512 0.996512 0.988746 Li\n0.997906 0.997906 0.487965 Li\n0.338330 0.338330 0.406461 Li\n0.823812 0.823812 0.222188 V\n0.654367 0.165834 0.716187 V\n0.165834 0.654367 0.716187 V\n0.826931 0.337074 0.212079 Fe\n0.337074 0.826931 0.212079 Fe\n0.168770 0.168770 0.711302 Fe\n0.663017 0.663017 0.488858 W\n0.329249 0.329249 0.988532 W\n0.818460 0.344911 0.585451 O\n0.525249 0.525249 0.358237 O\n0.683521 0.683521 0.111526 O\n0.986586 0.986586 0.296546 O\n0.995722 0.995722 0.800452 O\n0.344911 0.818460 0.585451 O\n0.961154 0.536509 0.351508 O\n0.536509 0.961154 0.351508 O\n0.170454 0.170454 0.080763 O\n0.824534 0.824534 0.592520 O\n0.494460 0.041538 0.852105 O\n0.041538 0.494460 0.852105 O\n0.337259 0.337259 0.608038 O\n0.646902 0.166679 0.088269 O\n0.479884 0.479884 0.847996 O\n0.166679 0.646902 0.088269 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-V-W",
"density": 5.18498117715162,
"density_atomic": 0.08996673285676601,
"volume": 311.22615116610007,
"volume_molar": 6.693741751840331,
"formula_full": "Li4 V3 Fe3 W2 O16",
"formula_reduced": "Li4V3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -227.10064495,
"energy_per_atom": -8.110737319642856,
"energy_above_hull": null,
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"energy_uncorrected": -195.36464495,
"band_gap": 0.8064,
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"is_magnetic": true,
"total_magnetization": 17.0000731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.722000Z",
"spacegroup": 8
},
{
"id": "mp-757062",
"created_at": "2022-09-04T14:44:04.293260Z",
"structure_string": "Li4 Nb3 V3 Sn2 O16\n1.0\n6.094791 0.024230 0.014677\n-3.026411 5.242357 -0.000024\n0.021427 0.012367 10.145500\nLi Nb V Sn O\n4 3 3 2 16\ndirect\n0.334591 0.667339 0.903477 Li\n0.007518 0.003760 0.990758 Li\n0.011018 0.005497 0.490970 Li\n0.672317 0.336147 0.390884 Li\n0.662733 0.831439 0.217195 Nb\n0.821303 0.640452 0.713471 Nb\n0.821297 0.180873 0.713477 Nb\n0.171601 0.820489 0.212759 V\n0.171598 0.351105 0.212786 V\n0.348779 0.174402 0.713232 V\n0.323841 0.661909 0.490100 Sn\n0.648880 0.324506 0.996379 Sn\n0.154359 0.831818 0.598932 O\n0.039882 0.519826 0.344402 O\n0.355064 0.677413 0.100059 O\n0.998046 0.999073 0.307469 O\n0.996053 0.998034 0.806742 O\n0.154346 0.322520 0.598922 O\n0.492891 0.966423 0.340996 O\n0.492935 0.526522 0.340956 O\n0.312808 0.156470 0.098146 O\n0.669213 0.834608 0.596911 O\n0.525994 0.495841 0.843989 O\n0.526004 0.030226 0.844017 O\n0.664727 0.332384 0.585432 O\n0.827041 0.670639 0.102119 O\n0.968121 0.484077 0.851116 O\n0.827040 0.156508 0.102146 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Sn",
"O"
],
"chemical_system": "Li-Nb-O-Sn-V",
"density": 4.869248759074619,
"density_atomic": 0.08618000348944933,
"volume": 324.9013560718633,
"volume_molar": 6.987863212070147,
"formula_full": "Li4 Nb3 V3 Sn2 O16",
"formula_reduced": "Li4Nb3V3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -222.30109963,
"energy_per_atom": -7.9393249867857145,
"energy_above_hull": null,
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"total_magnetization": 8.000068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.183000Z",
"spacegroup": 8
},
{
"id": "mp-759403",
"created_at": "2022-09-04T14:42:18.898412Z",
"structure_string": "Li4 Fe2 Co3 Sb3 O16\n1.0\n6.043252 0.000000 0.000000\n-2.978357 5.286794 0.000000\n-0.098333 -0.150909 9.672359\nLi Fe Co Sb O\n4 2 3 3 16\ndirect\n0.337161 0.661555 0.882967 Li\n0.959105 0.982192 0.986735 Li\n0.980376 0.993601 0.506125 Li\n0.653209 0.324133 0.400907 Li\n0.355203 0.685408 0.507325 Fe\n0.708396 0.351497 0.973686 Fe\n0.657475 0.828176 0.215824 Co\n0.839455 0.663528 0.712466 Co\n0.835678 0.173576 0.713609 Co\n0.165057 0.829663 0.214777 Sb\n0.165528 0.335560 0.215532 Sb\n0.345465 0.175788 0.714872 Sb\n0.179570 0.854342 0.595600 O\n0.021454 0.514237 0.335501 O\n0.313319 0.653652 0.099141 O\n0.008104 0.006376 0.319329 O\n0.009163 0.018189 0.806107 O\n0.164444 0.329860 0.601267 O\n0.466519 0.960854 0.337942 O\n0.466379 0.506617 0.340150 O\n0.308785 0.151234 0.099797 O\n0.675008 0.853266 0.600914 O\n0.516825 0.471302 0.848174 O\n0.535047 0.040678 0.835733 O\n0.665455 0.320411 0.606469 O\n0.848856 0.677575 0.098169 O\n0.973599 0.467026 0.836845 O\n0.845370 0.170003 0.101876 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Co",
"Sb",
"O"
],
"chemical_system": "Co-Fe-Li-O-Sb",
"density": 5.037742723103758,
"density_atomic": 0.09060716270070249,
"volume": 309.0263414658598,
"volume_molar": 6.6464290244829725,
"formula_full": "Li4 Fe2 Co3 Sb3 O16",
"formula_reduced": "Li4Fe2Co3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -188.02343061,
"energy_per_atom": -6.715122521785714,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.150000Z",
"spacegroup": 1
},
{
"id": "mp-774845",
"created_at": "2022-09-04T14:42:17.190982Z",
"structure_string": "Li4 Ti2 Co3 Sn3 O16\n1.0\n6.103190 -0.007432 0.008376\n-3.058006 5.294519 0.000483\n0.014192 0.008484 9.668379\nLi Ti Co Sn O\n4 2 3 3 16\ndirect\n0.348114 0.674031 0.891879 Li\n0.965309 0.982777 0.988018 Li\n0.979798 0.989725 0.497451 Li\n0.665978 0.333052 0.400827 Li\n0.354948 0.677799 0.497831 Ti\n0.683778 0.341952 0.991874 Ti\n0.657955 0.828981 0.216422 Co\n0.835071 0.656196 0.718286 Co\n0.835042 0.178904 0.718048 Co\n0.172548 0.830531 0.214708 Sn\n0.172637 0.342073 0.214743 Sn\n0.342936 0.171505 0.711200 Sn\n0.166214 0.829371 0.594061 O\n0.026692 0.513242 0.341919 O\n0.336438 0.668364 0.097342 O\n0.996711 0.998244 0.309894 O\n0.989184 0.994265 0.801230 O\n0.165600 0.336410 0.594151 O\n0.472733 0.956560 0.352965 O\n0.473081 0.516326 0.352812 O\n0.332251 0.166178 0.090904 O\n0.654541 0.827508 0.597124 O\n0.528928 0.482576 0.845962 O\n0.529279 0.046361 0.845740 O\n0.682581 0.341792 0.605579 O\n0.837048 0.656765 0.087931 O\n0.957733 0.478664 0.840827 O\n0.836872 0.180149 0.088109 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn-Ti",
"density": 4.853026249248537,
"density_atomic": 0.08968663648836118,
"volume": 312.1981277961474,
"volume_molar": 6.7146466807031,
"formula_full": "Li4 Ti2 Co3 Sn3 O16",
"formula_reduced": "Li4Ti2Co3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -197.80901395,
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"updated_at": "2021-11-28T01:35:42.892000Z",
"spacegroup": 8
},
{
"id": "mp-757929",
"created_at": "2022-09-04T14:42:16.310417Z",
"structure_string": "Li4 Ti2 V3 Sn3 O16\n1.0\n3.053083 5.364086 0.000000\n-3.053083 5.364086 0.000000\n0.000000 0.100979 9.681425\nLi Ti V Sn O\n4 2 3 3 16\ndirect\n0.672766 0.672766 0.892643 Li\n0.990711 0.990711 0.988720 Li\n0.994698 0.994698 0.501131 Li\n0.333114 0.333114 0.397146 Li\n0.678154 0.678154 0.501651 Ti\n0.344259 0.344259 0.977638 Ti\n0.828673 0.828673 0.213965 V\n0.651665 0.182756 0.713157 V\n0.182756 0.651665 0.713157 V\n0.829488 0.337996 0.214570 Sn\n0.337996 0.829488 0.214570 Sn\n0.170124 0.170124 0.713855 Sn\n0.831432 0.345797 0.591179 O\n0.515778 0.515778 0.343943 O\n0.666427 0.666427 0.097671 O\n0.996346 0.996346 0.316041 O\n0.998230 0.998230 0.803698 O\n0.345797 0.831432 0.591179 O\n0.955818 0.524948 0.342722 O\n0.524948 0.955818 0.342722 O\n0.160400 0.160400 0.093972 O\n0.828661 0.828661 0.594688 O\n0.477719 0.046052 0.850530 O\n0.046052 0.477719 0.850530 O\n0.331202 0.331202 0.599873 O\n0.665556 0.160236 0.097225 O\n0.481229 0.481229 0.852473 O\n0.160236 0.665556 0.097225 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 317.10539013475653,
"volume_molar": 6.820190339807926,
"formula_full": "Li4 Ti2 V3 Sn3 O16",
"formula_reduced": "Li4Ti2V3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.35667031000003,
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"updated_at": "2021-11-28T01:35:41.360000Z",
"spacegroup": 8
},
{
"id": "mp-752848",
"created_at": "2022-09-04T14:42:21.348770Z",
"structure_string": "Li4 Fe2 Ni3 Sb3 O16\n1.0\n3.030189 5.278602 0.000000\n-3.030189 5.278602 0.000000\n0.000000 0.249585 9.679711\nLi Fe Ni Sb O\n4 2 3 3 16\ndirect\n0.666409 0.666409 0.117440 Li\n0.982623 0.982623 0.012864 Li\n0.989341 0.989341 0.494725 Li\n0.327985 0.327985 0.600071 Li\n0.678059 0.678059 0.489640 Fe\n0.352838 0.352838 0.025152 Fe\n0.829942 0.829942 0.784544 Ni\n0.660796 0.171322 0.286850 Ni\n0.171322 0.660796 0.286850 Ni\n0.831919 0.336738 0.784052 Sb\n0.336738 0.831919 0.784052 Sb\n0.170904 0.170904 0.284071 Sb\n0.848503 0.329928 0.404799 O\n0.511577 0.511577 0.665596 O\n0.662052 0.662052 0.899090 O\n0.001635 0.001635 0.682104 O\n0.999461 0.999461 0.197248 O\n0.329928 0.848503 0.404799 O\n0.962984 0.510377 0.661851 O\n0.510377 0.962984 0.661851 O\n0.155157 0.155157 0.898267 O\n0.837465 0.837465 0.395067 O\n0.476147 0.034957 0.155042 O\n0.034957 0.476147 0.155042 O\n0.333925 0.333925 0.390420 O\n0.678008 0.172314 0.901599 O\n0.481425 0.481425 0.167662 O\n0.172314 0.678008 0.901599 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Fe",
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],
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"density": 5.023623576983972,
"density_atomic": 0.09042260390871208,
"volume": 309.6570856139904,
"volume_molar": 6.659994846067219,
"formula_full": "Li4 Fe2 Ni3 Sb3 O16",
"formula_reduced": "Li4Fe2Ni3Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -183.67425414,
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"updated_at": "2021-11-28T01:35:48.676000Z",
"spacegroup": 8
},
{
"id": "mp-765704",
"created_at": "2022-09-04T14:42:20.816126Z",
"structure_string": "Li4 Fe3 Cu2 Sb3 O16\n1.0\n6.120109 -0.022275 -0.034464\n-3.077635 5.314858 -0.029784\n-0.058455 -0.092492 9.948617\nLi Fe Cu Sb O\n4 3 2 3 16\ndirect\n0.326553 0.664725 0.876819 Li\n0.974350 0.980438 0.991544 Li\n0.978963 0.987429 0.502806 Li\n0.658328 0.333224 0.396514 Li\n0.666204 0.834016 0.217537 Fe\n0.829393 0.661817 0.715688 Fe\n0.831223 0.168717 0.715663 Fe\n0.340269 0.667950 0.529627 Cu\n0.696799 0.349268 0.978639 Cu\n0.174585 0.833801 0.214453 Sb\n0.173876 0.339752 0.213819 Sb\n0.340079 0.171042 0.716785 Sb\n0.159468 0.846632 0.603501 O\n0.031342 0.516583 0.327643 O\n0.327741 0.662646 0.100134 O\n0.012858 0.006372 0.320087 O\n0.007079 0.004245 0.813423 O\n0.157229 0.310200 0.604120 O\n0.490673 0.981159 0.320941 O\n0.487409 0.514357 0.322986 O\n0.309187 0.153110 0.100921 O\n0.678204 0.839904 0.607405 O\n0.511787 0.484415 0.832331 O\n0.514967 0.036376 0.835397 O\n0.657589 0.328110 0.603455 O\n0.851362 0.686141 0.105401 O\n0.958887 0.481263 0.835018 O\n0.853596 0.156608 0.105183 O\n",
"nsites": 28,
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"elements": [
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"Fe",
"Cu",
"Sb",
"O"
],
"chemical_system": "Cu-Fe-Li-O-Sb",
"density": 4.853090087987357,
"density_atomic": 0.08671836804448871,
"volume": 322.88430503714386,
"volume_molar": 6.94448119331592,
"formula_full": "Li4 Fe3 Cu2 Sb3 O16",
"formula_reduced": "Li4Fe3Cu2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -181.75817624,
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"updated_at": "2021-11-28T01:35:47.887000Z",
"spacegroup": 8
},
{
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}