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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11472",
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"results": [
{
"id": "mp-770507",
"created_at": "2022-09-04T14:44:26.782897Z",
"structure_string": "Li4 Ti3 Mn3 Ni2 O16\n1.0\n2.932711 5.065470 0.000000\n-2.932711 5.065470 0.000000\n0.000000 0.024378 9.645014\nLi Ti Mn Ni O\n4 3 3 2 16\ndirect\n0.669208 0.669208 0.885317 Li\n0.996065 0.996065 0.997765 Li\n0.996323 0.996323 0.499595 Li\n0.336056 0.336056 0.387738 Li\n0.831676 0.337989 0.214833 Ti\n0.337989 0.831676 0.214833 Ti\n0.169781 0.169781 0.714005 Ti\n0.830722 0.830722 0.215166 Mn\n0.662663 0.168562 0.715141 Mn\n0.168562 0.662663 0.715141 Mn\n0.666379 0.666379 0.490289 Ni\n0.333500 0.333500 0.987636 Ni\n0.839777 0.318103 0.607045 O\n0.518505 0.518505 0.331245 O\n0.668812 0.668812 0.103909 O\n0.995862 0.995862 0.314264 O\n0.995907 0.995907 0.812356 O\n0.318103 0.839777 0.607045 O\n0.964751 0.520691 0.332808 O\n0.520691 0.964751 0.332808 O\n0.159876 0.159876 0.105777 O\n0.840426 0.840426 0.609159 O\n0.484773 0.036136 0.831231 O\n0.036136 0.484773 0.831231 O\n0.337172 0.337172 0.606055 O\n0.680974 0.157281 0.107698 O\n0.482078 0.482078 0.829990 O\n0.157281 0.680974 0.107698 O\n",
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"O"
],
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"density": 4.111630751207338,
"density_atomic": 0.09770935750622455,
"volume": 286.5641604307578,
"volume_molar": 6.163320396018734,
"formula_full": "Li4 Ti3 Mn3 Ni2 O16",
"formula_reduced": "Li4Ti3Mn3(NiO8)2",
"formula_anonymous": "A2B3C3D4E16",
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"updated_at": "2021-11-28T01:36:36.886000Z",
"spacegroup": 8
},
{
"id": "mp-767054",
"created_at": "2022-09-04T14:48:31.568496Z",
"structure_string": "Li8 Ti8 Mn8 Ni2 O36\n1.0\n2.936936 0.000000 0.000000\n0.000000 9.126085 0.000000\n0.000000 0.000000 25.301684\nLi Ti Mn Ni O\n8 8 8 2 36\ndirect\n0.500000 0.702758 0.000775 Li\n0.500000 0.706768 0.197444 Li\n0.500000 0.793232 0.697444 Li\n0.500000 0.797242 0.500775 Li\n0.500000 0.202758 0.499225 Li\n0.500000 0.206768 0.302556 Li\n0.500000 0.293232 0.802556 Li\n0.500000 0.297242 0.999225 Li\n0.500000 0.509474 0.104278 Ti\n0.000000 0.641543 0.804842 Ti\n0.000000 0.858457 0.304842 Ti\n0.500000 0.990526 0.604278 Ti\n0.500000 0.009474 0.395722 Ti\n0.000000 0.141543 0.695158 Ti\n0.000000 0.358457 0.195158 Ti\n0.500000 0.490526 0.895722 Ti\n0.500000 0.519872 0.315647 Mn\n0.000000 0.637555 0.586141 Mn\n0.000000 0.862445 0.086141 Mn\n0.500000 0.980128 0.815647 Mn\n0.500000 0.019872 0.184353 Mn\n0.000000 0.137555 0.913859 Mn\n0.000000 0.362445 0.413859 Mn\n0.500000 0.480128 0.684353 Mn\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.498303 0.417009 O\n0.500000 0.501697 0.582991 O\n0.000000 0.532384 0.940120 O\n0.000000 0.555996 0.162841 O\n0.000000 0.611813 0.663031 O\n0.500000 0.611328 0.756678 O\n0.000000 0.657302 0.511732 O\n0.000000 0.643998 0.291148 O\n0.500000 0.674698 0.857282 O\n0.500000 0.720339 0.089778 O\n0.500000 0.779661 0.589778 O\n0.500000 0.825302 0.357282 O\n0.000000 0.856002 0.791148 O\n0.000000 0.842698 0.011732 O\n0.500000 0.888672 0.256678 O\n0.000000 0.888187 0.163031 O\n0.000000 0.944004 0.662841 O\n0.000000 0.967616 0.440120 O\n0.500000 0.998303 0.082991 O\n0.500000 0.001697 0.917009 O\n0.000000 0.032384 0.559880 O\n0.000000 0.055996 0.337159 O\n0.000000 0.111813 0.836969 O\n0.500000 0.111328 0.743322 O\n0.000000 0.157302 0.988268 O\n0.000000 0.143998 0.208852 O\n0.500000 0.174698 0.642718 O\n0.500000 0.220339 0.410222 O\n0.500000 0.279661 0.910222 O\n0.500000 0.325302 0.142718 O\n0.000000 0.356002 0.708852 O\n0.000000 0.342698 0.488268 O\n0.500000 0.388672 0.243322 O\n0.000000 0.388187 0.336969 O\n0.000000 0.444004 0.837159 O\n0.000000 0.467616 0.059880 O\n",
"nsites": 62,
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"elements": [
"Li",
"Ti",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Ti",
"density": 3.847592451100552,
"density_atomic": 0.09142464231529504,
"volume": 678.1541434549054,
"volume_molar": 6.5869995304236655,
"formula_full": "Li8 Ti8 Mn8 Ni2 O36",
"formula_reduced": "Li4Ti4Mn4NiO18",
"formula_anonymous": "AB4C4D4E18",
"energy": -499.42620294,
"energy_per_atom": -8.055261337741936,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -456.26820294,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:57.936000Z",
"spacegroup": 55
},
{
"id": "mp-771397",
"created_at": "2022-09-04T14:46:22.641541Z",
"structure_string": "Li4 Ti3 Mn2 Ni3 O16\n1.0\n2.919616 5.084048 0.000000\n-2.919616 5.084048 0.000000\n0.000000 0.266824 9.431158\nLi Ti Mn Ni O\n4 3 2 3 16\ndirect\n0.666790 0.666790 0.105720 Li\n0.986791 0.986791 0.009702 Li\n0.996227 0.996227 0.505111 Li\n0.336438 0.336438 0.599976 Li\n0.339399 0.835794 0.787781 Ti\n0.835794 0.339399 0.787781 Ti\n0.169068 0.169068 0.284685 Ti\n0.670202 0.670202 0.513925 Mn\n0.338487 0.338487 0.018894 Mn\n0.828490 0.828490 0.788642 Ni\n0.167659 0.658818 0.289580 Ni\n0.658818 0.167659 0.289580 Ni\n0.343440 0.843416 0.401431 O\n0.522426 0.522426 0.658106 O\n0.657284 0.657284 0.899141 O\n0.003850 0.003850 0.694098 O\n0.994633 0.994633 0.199187 O\n0.843416 0.343440 0.401431 O\n0.512125 0.958544 0.650038 O\n0.958544 0.512125 0.650038 O\n0.170451 0.170451 0.896352 O\n0.834604 0.834604 0.405892 O\n0.040560 0.468987 0.150559 O\n0.468987 0.040560 0.150559 O\n0.334733 0.334733 0.391586 O\n0.181126 0.662417 0.903429 O\n0.477040 0.477040 0.155484 O\n0.662417 0.181126 0.903429 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Ti",
"density": 4.230561817613638,
"density_atomic": 0.10000636405018719,
"volume": 279.9821817934355,
"volume_molar": 6.0217575323284915,
"formula_full": "Li4 Ti3 Mn2 Ni3 O16",
"formula_reduced": "Li4Ti3Mn2Ni3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -203.49636886,
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"energy_uncorrected": -181.54536886,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.988000Z",
"spacegroup": 8
},
{
"id": "mp-1222732",
"created_at": "2022-09-04T14:41:27.765610Z",
"structure_string": "Li4 Ti2 Mn4 Ni2 O16\n1.0\n-0.000018 -4.139948 -4.139953\n8.347204 -4.150059 4.150057\n-4.230553 -4.201878 0.061998\nLi Ti Mn Ni O\n4 2 4 2 16\ndirect\n0.633239 0.125967 0.733515 Li\n0.133234 0.625991 0.733531 Li\n0.991778 0.999005 0.016442 Li\n0.491759 0.499031 0.016475 Li\n0.312511 0.062513 0.374983 Ti\n0.812531 0.562486 0.374942 Ti\n0.062512 0.812500 0.374998 Mn\n0.562517 0.812494 0.374987 Mn\n0.562543 0.312472 0.374974 Mn\n0.062374 0.312547 0.375176 Mn\n0.062525 0.312499 0.874983 Ni\n0.562489 0.812506 0.875015 Ni\n0.205560 0.928646 0.588883 O\n0.705531 0.428663 0.588922 O\n0.419428 0.196347 0.161126 O\n0.919453 0.696347 0.161089 O\n0.421380 0.708314 0.157238 O\n0.921374 0.208312 0.157253 O\n0.703636 0.916683 0.592738 O\n0.203629 0.416691 0.592757 O\n0.651870 0.933469 0.158197 O\n0.151848 0.433483 0.158230 O\n0.189924 0.933470 0.158203 O\n0.689921 0.433481 0.158209 O\n0.473145 0.691528 0.591780 O\n0.973110 0.191518 0.591800 O\n0.435101 0.191514 0.591773 O\n0.935077 0.691525 0.591781 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O-Ti",
"density": 4.0653162410235035,
"density_atomic": 0.09565548361868413,
"volume": 292.71714428435376,
"volume_molar": 6.2956565919486,
"formula_full": "Li4 Ti2 Mn4 Ni2 O16",
"formula_reduced": "Li2TiMn2NiO8",
"formula_anonymous": "ABC2D2E8",
"energy": -214.10557936,
"energy_per_atom": -7.646627834285715,
"energy_above_hull": null,
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"energy_uncorrected": -191.35957936,
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"total_magnetization": 2.33e-05,
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"updated_at": "2021-11-28T01:35:22.672000Z",
"spacegroup": 12
},
{
"id": "mp-777402",
"created_at": "2022-09-04T14:42:18.217331Z",
"structure_string": "Li10 Ti2 Mn3 Ni3 O16\n1.0\n5.951107 0.000000 0.000000\n-2.941309 5.206027 0.000000\n-0.212398 -0.191294 9.856600\nLi Ti Mn Ni O\n10 2 3 3 16\ndirect\n0.004097 0.003569 0.528869 Li\n0.818960 0.201446 0.954438 Li\n0.614155 0.803603 0.458278 Li\n0.806086 0.614033 0.956440 Li\n0.657258 0.332040 0.746782 Li\n0.327591 0.665291 0.246186 Li\n0.194169 0.402911 0.469746 Li\n0.401952 0.199055 0.964681 Li\n0.198900 0.809683 0.463794 Li\n0.008728 0.999528 0.027309 Li\n0.324717 0.653179 0.982030 Ti\n0.646851 0.320826 0.485783 Ti\n0.657981 0.827477 0.726427 Mn\n0.831498 0.165933 0.227559 Mn\n0.824154 0.655012 0.227144 Mn\n0.166915 0.338181 0.727745 Ni\n0.166889 0.830779 0.728790 Ni\n0.338280 0.167959 0.226749 Ni\n0.982064 0.992564 0.833549 O\n0.992534 0.974653 0.335218 O\n0.837057 0.186628 0.589227 O\n0.486265 0.501969 0.857125 O\n0.670052 0.813152 0.098129 O\n0.977323 0.504221 0.355301 O\n0.499912 0.978308 0.853576 O\n0.344372 0.675777 0.613200 O\n0.504678 0.021364 0.361535 O\n0.819063 0.665714 0.599337 O\n0.674846 0.348589 0.108971 O\n0.180871 0.347852 0.089286 O\n0.022500 0.513185 0.855487 O\n0.493329 0.481049 0.359658 O\n0.347613 0.175131 0.597387 O\n0.196130 0.838054 0.090341 O\n",
"nsites": 34,
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"elements": [
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"Ni",
"O"
],
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"density": 4.143707947153941,
"density_atomic": 0.11133907518334177,
"volume": 305.37347237717114,
"volume_molar": 5.408829514780284,
"formula_full": "Li10 Ti2 Mn3 Ni3 O16",
"formula_reduced": "Li10Ti2Mn3Ni3O16",
"formula_anonymous": "A2B3C3D10E16",
"energy": -233.08957856,
"energy_per_atom": -6.85557584,
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"updated_at": "2021-11-28T01:35:46.207000Z",
"spacegroup": 1
},
{
"id": "mp-1222689",
"created_at": "2022-09-04T14:44:18.152100Z",
"structure_string": "Li4 Ti4 Mn2 Ni2 O16\n1.0\n0.000015 4.206485 4.206484\n-8.372260 0.050598 -0.050581\n0.050395 -4.215838 4.215898\nLi Ti Mn Ni O\n4 4 2 2 16\ndirect\n0.500000 0.748520 0.011053 Li\n0.000000 0.248529 0.511053 Li\n0.500000 0.501481 0.488948 Li\n0.000000 0.001472 0.988948 Li\n0.749999 0.375005 0.000000 Ti\n0.250000 0.874995 0.499999 Ti\n0.749999 0.874994 0.499999 Ti\n0.250001 0.375004 0.999998 Ti\n0.500004 0.124997 0.749999 Mn\n0.999997 0.625001 0.250005 Mn\n0.999996 0.625002 0.749999 Ni\n0.500002 0.125002 0.249998 Ni\n0.000001 0.872786 0.713822 O\n0.500001 0.372776 0.213817 O\n0.999999 0.377214 0.786179 O\n0.499999 0.877225 0.286183 O\n0.000001 0.861035 0.270132 O\n0.500001 0.361031 0.770125 O\n0.499999 0.888970 0.729877 O\n0.000001 0.388964 0.229869 O\n0.774883 0.640450 0.484348 O\n0.274915 0.140464 0.984360 O\n0.225110 0.640448 0.484349 O\n0.725081 0.140462 0.984362 O\n0.725087 0.109536 0.515638 O\n0.225116 0.609549 0.015650 O\n0.774891 0.609551 0.015654 O\n0.274918 0.109537 0.515638 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Li-Mn-Ni-O-Ti",
"density": 3.928608050433286,
"density_atomic": 0.09429971964325713,
"volume": 296.9255911462525,
"volume_molar": 6.386170375460508,
"formula_full": "Li4 Ti4 Mn2 Ni2 O16",
"formula_reduced": "Li2Ti2MnNiO8",
"formula_anonymous": "ABC2D2E8",
"energy": -220.92421914,
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"energy_above_hull": null,
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"formation_energy": null,
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"is_magnetic": true,
"total_magnetization": 5.6e-06,
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"updated_at": "2021-11-28T01:36:30.095000Z",
"spacegroup": 12
},
{
"id": "mp-704600",
"created_at": "2022-09-04T14:39:37.511153Z",
"structure_string": "Li1 Ti4 Mn1 P6 O24\n1.0\n7.476377 -4.328725 0.000000\n7.476377 4.328725 0.000000\n4.970101 0.000000 7.066270\nLi Ti Mn P O\n1 4 1 6 24\ndirect\n0.500000 0.500000 0.500000 Li\n0.854699 0.854699 0.854699 Ti\n0.641957 0.641957 0.641957 Ti\n0.358043 0.358043 0.358043 Ti\n0.145301 0.145301 0.145301 Ti\n0.000000 0.000000 0.000000 Mn\n0.958483 0.251282 0.542605 P\n0.542605 0.958483 0.251282 P\n0.251282 0.542605 0.958483 P\n0.748718 0.457395 0.041517 P\n0.457395 0.041517 0.748718 P\n0.041517 0.748718 0.457395 P\n0.876954 0.693093 0.499945 O\n0.693093 0.499945 0.876954 O\n0.944028 0.085286 0.734609 O\n0.499945 0.876954 0.693093 O\n0.998854 0.191542 0.380993 O\n0.768109 0.414897 0.559389 O\n0.734609 0.944028 0.085286 O\n0.559389 0.768109 0.414897 O\n0.808458 0.619007 0.001146 O\n0.414897 0.559389 0.768109 O\n0.914714 0.265391 0.055972 O\n0.619007 0.001146 0.808458 O\n0.380993 0.998854 0.191542 O\n0.085286 0.734609 0.944028 O\n0.585103 0.440611 0.231891 O\n0.191542 0.380993 0.998854 O\n0.440611 0.231891 0.585103 O\n0.265391 0.055972 0.914714 O\n0.231891 0.585103 0.440611 O\n0.001146 0.808458 0.619007 O\n0.500055 0.123046 0.306907 O\n0.055972 0.914714 0.265391 O\n0.306907 0.500055 0.123046 O\n0.123046 0.306907 0.500055 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-Ti",
"density": 2.9886149997271425,
"density_atomic": 0.0787102131177086,
"volume": 457.37393629163677,
"volume_molar": 7.651028400843081,
"formula_full": "Li1 Ti4 Mn1 P6 O24",
"formula_reduced": "LiTi4Mn(PO4)6",
"formula_anonymous": "ABC4D6E24",
"energy": -300.89120375999994,
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"updated_at": "2021-11-28T01:34:30.795000Z",
"spacegroup": 148
},
{
"id": "mp-768514",
"created_at": "2022-09-04T14:42:54.154462Z",
"structure_string": "Li9 Ti1 Mn3 P6 O24\n1.0\n8.538758 -0.070080 0.057542\n-4.239964 2.572137 7.881631\n4.331683 -7.532169 -0.005840\nLi Ti Mn P O\n9 1 3 6 24\ndirect\n0.937070 0.859600 0.256469 Li\n0.259682 0.825225 0.642149 Li\n0.720519 0.913623 0.949562 Li\n0.422222 0.401636 0.243962 Li\n0.143298 0.352251 0.771369 Li\n0.669549 0.336769 0.349505 Li\n0.536898 0.602009 0.817018 Li\n0.339421 0.098798 0.044421 Li\n0.795656 0.334673 0.525261 Li\n0.660561 0.950806 0.635254 Ti\n0.139392 0.423814 0.145663 Mn\n0.325111 0.006312 0.363003 Mn\n0.869008 0.566901 0.851881 Mn\n0.066628 0.236495 0.440497 P\n0.550258 0.746224 0.246407 P\n0.270315 0.747016 0.935913 P\n0.770838 0.245728 0.009149 P\n0.453988 0.239227 0.736730 P\n0.925232 0.718400 0.536973 P\n0.224871 0.892887 0.126617 O\n0.241820 0.581450 0.960714 O\n0.901035 0.528746 0.410824 O\n0.135821 0.819640 0.504232 O\n0.176883 0.245236 0.234578 O\n0.534822 0.870342 0.185799 O\n0.150215 0.725773 0.836858 O\n0.397001 0.575146 0.216814 O\n0.192964 0.207683 0.497800 O\n0.518217 0.820327 0.461577 O\n0.750915 0.721832 0.135391 O\n0.484587 0.795094 0.807890 O\n0.564468 0.252940 0.150276 O\n0.255088 0.262131 0.848398 O\n0.515534 0.195475 0.519754 O\n0.839350 0.800252 0.487935 O\n0.606720 0.407889 0.785853 O\n0.865607 0.241071 0.118083 O\n0.460809 0.096060 0.779532 O\n0.817882 0.724110 0.747266 O\n0.877147 0.090995 0.449192 O\n0.019130 0.405062 0.570188 O\n0.884453 0.395927 0.932872 O\n0.763915 0.078621 0.840971 O\n",
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{
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},
{
"id": "mp-768492",
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"structure_string": "Li8 Ti1 Mn3 P6 O24\n1.0\n-9.345657 -0.045964 0.139665\n0.171677 -4.783505 6.948589\n-3.738261 2.820929 7.081197\nLi Ti Mn P O\n8 1 3 6 24\ndirect\n0.863485 0.264016 0.809301 Li\n0.901028 0.938429 0.368813 Li\n0.854160 0.662568 0.068910 Li\n0.593779 0.798884 0.667253 Li\n0.414480 0.199016 0.330254 Li\n0.146850 0.344715 0.921973 Li\n0.095105 0.056722 0.637396 Li\n0.136818 0.735763 0.200301 Li\n0.034314 0.353468 0.306728 Ti\n0.968653 0.649561 0.688992 Mn\n0.438910 0.150088 0.710937 Mn\n0.562347 0.849848 0.285770 Mn\n0.752151 0.955418 0.779571 P\n0.750803 0.539568 0.509875 P\n0.759617 0.252431 0.198492 P\n0.238719 0.748686 0.813586 P\n0.247355 0.445775 0.495108 P\n0.247969 0.058819 0.205237 P\n0.893549 0.158650 0.627451 O\n0.811554 0.491534 0.664558 O\n0.810050 0.843005 0.672404 O\n0.899195 0.538105 0.311760 O\n0.899619 0.210924 0.264230 O\n0.739096 0.747910 0.416022 O\n0.583924 0.975438 0.803015 O\n0.590249 0.402500 0.601505 O\n0.816153 0.466244 0.029768 O\n0.759341 0.130057 0.110515 O\n0.588878 0.191807 0.393498 O\n0.751535 0.862734 0.988165 O\n0.267988 0.165996 0.986000 O\n0.406214 0.778645 0.631319 O\n0.254220 0.862966 0.903627 O\n0.167904 0.527332 0.999099 O\n0.403983 0.605192 0.374170 O\n0.408709 0.040460 0.210751 O\n0.276311 0.246976 0.560720 O\n0.102489 0.797205 0.753838 O\n0.104062 0.428418 0.697213 O\n0.175174 0.175745 0.311882 O\n0.171854 0.484302 0.347970 O\n0.111407 0.864080 0.342021 O\n",
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{
"id": "mp-776113",
"created_at": "2022-09-04T14:48:16.790544Z",
"structure_string": "Li8 Ti1 Mn7 P12 O48\n1.0\n8.563246 0.000000 0.000000\n0.214062 8.829878 0.000000\n0.023430 0.012955 11.987442\nLi Ti Mn P O\n8 1 7 12 48\ndirect\n0.214699 0.276583 0.819554 Li\n0.216281 0.220730 0.181595 Li\n0.282580 0.780021 0.680758 Li\n0.284212 0.724859 0.317294 Li\n0.715786 0.275825 0.681807 Li\n0.716818 0.221196 0.317855 Li\n0.782875 0.779065 0.819194 Li\n0.784094 0.723593 0.179653 Li\n0.753614 0.537855 0.387330 Ti\n0.250044 0.035747 0.386215 Mn\n0.248063 0.461948 0.613558 Mn\n0.251536 0.964009 0.885307 Mn\n0.251887 0.537033 0.112263 Mn\n0.748166 0.461997 0.886413 Mn\n0.749392 0.035015 0.113376 Mn\n0.751122 0.964657 0.614572 Mn\n0.036819 0.748627 0.500517 P\n0.464787 0.252065 0.999723 P\n0.534248 0.746272 0.000690 P\n0.967091 0.250858 0.499857 P\n0.106235 0.606153 0.851488 P\n0.105359 0.894350 0.143489 P\n0.392815 0.394287 0.351732 P\n0.395965 0.105186 0.647693 P\n0.605223 0.897083 0.354600 P\n0.604122 0.605999 0.650162 P\n0.894832 0.395608 0.145806 P\n0.895167 0.104682 0.853141 P\n0.060002 0.357112 0.575719 O\n0.061011 0.143697 0.424043 O\n0.075796 0.103660 0.841416 O\n0.076105 0.398881 0.155793 O\n0.140770 0.829062 0.417445 O\n0.143204 0.657722 0.584345 O\n0.155592 0.561145 0.970704 O\n0.153079 0.933654 0.024954 O\n0.157710 0.763858 0.817841 O\n0.160109 0.730630 0.177101 O\n0.180122 0.482223 0.773110 O\n0.175251 0.012619 0.222599 O\n0.325874 0.986358 0.728457 O\n0.320241 0.518687 0.273101 O\n0.342120 0.237160 0.317488 O\n0.341256 0.268896 0.680406 O\n0.343662 0.438207 0.471465 O\n0.345226 0.061139 0.531496 O\n0.357471 0.168256 0.919657 O\n0.356225 0.341799 0.083817 O\n0.424188 0.897877 0.343426 O\n0.423474 0.603445 0.657468 O\n0.441312 0.855084 0.925502 O\n0.439880 0.639716 0.075956 O\n0.558070 0.358032 0.923691 O\n0.559002 0.143650 0.074673 O\n0.574164 0.402167 0.344730 O\n0.576886 0.103862 0.659447 O\n0.642124 0.657251 0.915766 O\n0.640053 0.829025 0.081940 O\n0.653803 0.938976 0.472260 O\n0.657865 0.563391 0.529924 O\n0.656778 0.763425 0.682395 O\n0.660526 0.732713 0.324251 O\n0.678066 0.481565 0.727231 O\n0.676762 0.014140 0.274115 O\n0.824887 0.985727 0.773216 O\n0.823794 0.518200 0.226354 O\n0.839942 0.267988 0.820181 O\n0.843338 0.238522 0.181131 O\n0.845062 0.438436 0.026574 O\n0.845002 0.061742 0.970363 O\n0.857350 0.344495 0.418558 O\n0.858006 0.169001 0.579723 O\n0.923975 0.894711 0.154884 O\n0.925179 0.603269 0.841991 O\n0.942390 0.857723 0.574664 O\n0.933465 0.639800 0.432988 O\n",
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"formula_full": "Li8 Ti1 Mn7 P12 O48",
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{
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"structure_string": "Li9 Ti1 Mn3 P6 O24\n1.0\n8.539240 0.000000 0.000000\n-4.146025 7.496449 0.000000\n-0.185492 -4.921824 7.898080\nLi Ti Mn P O\n9 1 3 6 24\ndirect\n0.193539 0.256469 0.140400 Li\n0.901830 0.642149 0.174775 Li\n0.670081 0.949562 0.086377 Li\n0.666184 0.243962 0.598364 Li\n0.914666 0.771369 0.647749 Li\n0.019054 0.349505 0.663231 Li\n0.353915 0.817018 0.397991 Li\n0.383842 0.044421 0.901202 Li\n0.320917 0.525261 0.665327 Li\n0.295815 0.635254 0.049194 Ti\n0.285055 0.145663 0.576186 Mn\n0.688114 0.363003 0.993688 Mn\n0.720890 0.851882 0.433099 Mn\n0.507126 0.440497 0.763505 P\n0.796664 0.246407 0.253776 P\n0.206228 0.935913 0.252984 P\n0.779988 0.009149 0.754272 P\n0.190718 0.736730 0.760773 P\n0.462205 0.536973 0.281600 P\n0.351488 0.126617 0.107113 O\n0.202534 0.960714 0.418550 O\n0.311859 0.410824 0.471254 O\n0.640053 0.504232 0.180360 O\n0.411462 0.234578 0.754764 O\n0.720621 0.185799 0.129658 O\n0.987073 0.836858 0.274227 O\n0.613815 0.216814 0.424854 O\n0.690764 0.497800 0.792317 O\n0.979794 0.461577 0.179673 O\n0.886307 0.135391 0.278168 O\n0.292477 0.807890 0.204906 O\n0.714744 0.150276 0.747060 O\n0.103487 0.848398 0.737869 O\n0.035289 0.519754 0.804525 O\n0.327286 0.487935 0.199748 O\n0.392573 0.785853 0.592111 O\n0.983691 0.118084 0.758929 O\n0.240341 0.779532 0.903940 O\n0.565148 0.747266 0.275890 O\n0.326339 0.449192 0.909005 O\n0.589318 0.570188 0.594938 O\n0.817325 0.932872 0.604073 O\n0.604886 0.840971 0.921379 O\n",
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}
]
}