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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=10181",
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"results": [
{
"id": "mp-752436",
"created_at": "2022-09-04T14:47:43.665800Z",
"structure_string": "Li4 Mn2 Nb6 O16\n1.0\n3.067229 -5.312596 0.000000\n3.067229 5.312596 0.000000\n0.000000 0.000000 10.261598\nLi Mn Nb O\n4 2 6 16\ndirect\n0.333333 0.666667 0.890363 Li\n0.000000 0.000000 0.995273 Li\n0.000000 0.000000 0.495273 Li\n0.666667 0.333333 0.390363 Li\n0.333333 0.666667 0.501185 Mn\n0.666667 0.333333 0.001185 Mn\n0.176790 0.823210 0.214101 Nb\n0.176790 0.353581 0.214101 Nb\n0.646419 0.823210 0.214101 Nb\n0.353581 0.176790 0.714101 Nb\n0.823210 0.646419 0.714101 Nb\n0.823210 0.176790 0.714101 Nb\n0.156507 0.843493 0.606186 O\n0.025612 0.512806 0.335861 O\n0.333333 0.666667 0.084542 O\n0.000000 0.000000 0.314115 O\n0.000000 0.000000 0.814115 O\n0.156507 0.313014 0.606186 O\n0.487194 0.974388 0.335861 O\n0.487194 0.512806 0.335861 O\n0.313014 0.156507 0.106186 O\n0.686986 0.843493 0.606186 O\n0.512806 0.487194 0.835861 O\n0.512806 0.025612 0.835861 O\n0.666667 0.333333 0.584542 O\n0.843493 0.686986 0.106186 O\n0.974388 0.487194 0.835861 O\n0.843493 0.156507 0.106186 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.722402859080021,
"density_atomic": 0.08372594266487779,
"volume": 334.4244222137104,
"volume_molar": 7.192681943402266,
"formula_full": "Li4 Mn2 Nb6 O16",
"formula_reduced": "Li2MnNb3O8",
"formula_anonymous": "AB2C3D8",
"energy": -239.42874712000005,
"energy_per_atom": -8.551026682857145,
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"is_stable": null,
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"energy_uncorrected": -225.10074712,
"band_gap": 0.1527000000000002,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:38:17.027000Z",
"spacegroup": 186
},
{
"id": "mp-758905",
"created_at": "2022-09-04T14:47:43.921749Z",
"structure_string": "Li12 Cr10 P16 O56\n1.0\n9.173917 0.000000 0.000000\n-3.956183 -10.060079 0.000000\n-3.644348 1.390866 -12.298752\nLi Cr P O\n12 10 16 56\ndirect\n0.819306 0.995137 0.231472 Li\n0.097513 0.137962 0.067809 Li\n0.887446 0.402091 0.180515 Li\n0.500000 0.500000 0.000000 Li\n0.112554 0.597909 0.819485 Li\n0.902487 0.862038 0.932191 Li\n0.180694 0.004863 0.768528 Li\n0.080027 0.129277 0.572600 Li\n0.878175 0.416711 0.669892 Li\n0.500000 0.500000 0.500000 Li\n0.121825 0.583289 0.330108 Li\n0.919973 0.870723 0.427400 Li\n0.097710 0.714968 0.110036 Cr\n0.484605 0.755341 0.070296 Cr\n0.515395 0.244659 0.929704 Cr\n0.902290 0.285032 0.889964 Cr\n0.096782 0.722130 0.613486 Cr\n0.797849 0.009046 0.742510 Cr\n0.469330 0.750436 0.566706 Cr\n0.530670 0.249564 0.433294 Cr\n0.202151 0.990954 0.257490 Cr\n0.903218 0.277870 0.386514 Cr\n0.195918 0.439236 0.103507 P\n0.555079 0.195902 0.181541 P\n0.809193 0.702041 0.210156 P\n0.287927 0.963706 0.033212 P\n0.712073 0.036294 0.966788 P\n0.190807 0.297959 0.789844 P\n0.444921 0.804098 0.818459 P\n0.804082 0.560764 0.896493 P\n0.188834 0.437809 0.599743 P\n0.559971 0.188141 0.684917 P\n0.798271 0.704950 0.707351 P\n0.279609 0.962718 0.531098 P\n0.720391 0.037282 0.468902 P\n0.201729 0.295050 0.292649 P\n0.440029 0.811859 0.315083 P\n0.811166 0.562191 0.400257 P\n0.116305 0.148656 0.235701 O\n0.290651 0.389025 0.212525 O\n0.529450 0.801818 0.235553 O\n0.094913 0.508769 0.137862 O\n0.736594 0.216485 0.231267 O\n0.157008 0.976067 0.084718 O\n0.467029 0.042643 0.118732 O\n0.933146 0.642908 0.196347 O\n0.081283 0.305335 0.032277 O\n0.325173 0.528345 0.056165 O\n0.277133 0.816708 0.031856 O\n0.673720 0.685568 0.104507 O\n0.534883 0.287899 0.093590 O\n0.728809 0.980139 0.074119 O\n0.271191 0.019861 0.925881 O\n0.465117 0.712101 0.906410 O\n0.326280 0.314432 0.895493 O\n0.722867 0.183292 0.968144 O\n0.674827 0.471655 0.943835 O\n0.918717 0.694665 0.967723 O\n0.066854 0.357092 0.803653 O\n0.532971 0.957357 0.881268 O\n0.842992 0.023933 0.915282 O\n0.263406 0.783515 0.768733 O\n0.102023 0.153485 0.732300 O\n0.905087 0.491231 0.862138 O\n0.470550 0.198182 0.764447 O\n0.283539 0.393621 0.711553 O\n0.709349 0.610975 0.787475 O\n0.533395 0.807672 0.733765 O\n0.083819 0.506943 0.628945 O\n0.883695 0.851344 0.764299 O\n0.729899 0.178542 0.740557 O\n0.146547 0.974023 0.576046 O\n0.458595 0.041970 0.615420 O\n0.926432 0.650191 0.696251 O\n0.081109 0.302089 0.529821 O\n0.320264 0.526647 0.553147 O\n0.271509 0.816577 0.530212 O\n0.663281 0.685910 0.600919 O\n0.579564 0.293183 0.604931 O\n0.723082 0.979320 0.576253 O\n0.276918 0.020680 0.423747 O\n0.420436 0.706817 0.395069 O\n0.336719 0.314090 0.399081 O\n0.728491 0.183423 0.469788 O\n0.679736 0.473353 0.446853 O\n0.918891 0.697911 0.470179 O\n0.073568 0.349809 0.303749 O\n0.541405 0.958030 0.384580 O\n0.853453 0.025977 0.423954 O\n0.270101 0.821458 0.259443 O\n0.916181 0.493057 0.371055 O\n0.466605 0.192328 0.266235 O\n0.716461 0.606379 0.288447 O\n0.897977 0.846515 0.267700 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.9183080036885993,
"density_atomic": 0.08281530614129713,
"volume": 1135.0558777096091,
"volume_molar": 7.27177262343895,
"formula_full": "Li12 Cr10 P16 O56",
"formula_reduced": "Li6Cr5(P2O7)4",
"formula_anonymous": "A5B6C8D28",
"energy": -724.99933298,
"energy_per_atom": -7.712758861489362,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -666.53733298,
"band_gap": 2.2840000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.9924085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.639000Z",
"spacegroup": 2
},
{
"id": "mp-27043",
"created_at": "2022-09-04T14:47:25.692519Z",
"structure_string": "Li1 Co1 P2 O7\n1.0\n4.099066 3.259386 0.000000\n-4.099066 3.259386 0.000000\n0.000000 1.057733 4.401572\nLi Co P O\n1 1 2 7\ndirect\n0.693566 0.306434 0.500000 Li\n0.065388 0.934612 0.500000 Co\n0.611916 0.808974 0.090648 P\n0.191026 0.388084 0.909352 P\n0.010296 0.238443 0.212454 O\n0.063525 0.589014 0.749531 O\n0.289650 0.207765 0.698377 O\n0.410986 0.936475 0.250469 O\n0.465352 0.534648 0.000000 O\n0.761557 0.989704 0.787546 O\n0.792235 0.710351 0.301623 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.3858794406664487,
"density_atomic": 0.09352639018270738,
"volume": 117.61386255270924,
"volume_molar": 6.438974869270073,
"formula_full": "Li1 Co1 P2 O7",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -80.36288015000001,
"energy_per_atom": -7.305716377272728,
"energy_above_hull": null,
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"energy_uncorrected": -73.91588015,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.043000Z",
"spacegroup": 5
},
{
"id": "mp-734902",
"created_at": "2022-09-04T14:47:54.922723Z",
"structure_string": "K16 Cd8 S16 O76\n1.0\n9.908703 0.000000 0.000000\n0.000000 10.056129 0.000000\n0.000000 4.000517 19.994424\nK Cd S O\n16 8 16 76\ndirect\n0.961065 0.386207 0.451810 K\n0.038935 0.386207 0.951810 K\n0.538980 0.613895 0.548109 K\n0.461020 0.613895 0.048109 K\n0.782013 0.055642 0.218750 K\n0.217987 0.055642 0.718750 K\n0.717892 0.944481 0.781121 K\n0.282108 0.944481 0.281121 K\n0.517355 0.095700 0.059723 K\n0.482645 0.095700 0.559723 K\n0.982650 0.904307 0.940339 K\n0.017350 0.904307 0.440339 K\n0.658817 0.739001 0.378960 K\n0.341183 0.739001 0.878960 K\n0.841213 0.261015 0.620947 K\n0.158787 0.261015 0.120947 K\n0.276319 0.419798 0.774905 Cd\n0.723681 0.419798 0.274905 Cd\n0.223773 0.580186 0.225070 Cd\n0.776227 0.580186 0.725070 Cd\n0.688895 0.217054 0.896241 Cd\n0.311105 0.217054 0.396241 Cd\n0.811200 0.782894 0.103769 Cd\n0.188800 0.782894 0.603769 Cd\n0.863188 0.137059 0.050204 S\n0.136812 0.137059 0.550204 S\n0.636863 0.862945 0.949752 S\n0.363137 0.862945 0.449752 S\n0.552035 0.732873 0.220189 S\n0.447965 0.732873 0.720189 S\n0.947853 0.267348 0.779728 S\n0.052147 0.267348 0.279728 S\n0.948250 0.720049 0.270437 S\n0.051750 0.720049 0.770437 S\n0.552031 0.280117 0.729441 S\n0.447969 0.280117 0.229441 S\n0.381049 0.362286 0.941299 S\n0.618951 0.362286 0.441299 S\n0.118992 0.637638 0.058702 S\n0.881008 0.637638 0.558702 S\n0.593990 0.735099 0.149446 O\n0.406010 0.735099 0.649446 O\n0.906030 0.265042 0.850512 O\n0.093970 0.265042 0.350512 O\n0.731244 0.494167 0.857650 O\n0.268756 0.494167 0.357650 O\n0.768718 0.505965 0.142388 O\n0.231282 0.505965 0.642388 O\n0.018874 0.746666 0.065508 O\n0.981126 0.746666 0.565508 O\n0.481222 0.253309 0.934543 O\n0.518778 0.253309 0.434543 O\n0.587199 0.859422 0.242028 O\n0.412801 0.859422 0.742028 O\n0.912856 0.140596 0.757915 O\n0.087144 0.140596 0.257915 O\n0.780906 0.010397 0.076436 O\n0.219094 0.010397 0.576436 O\n0.719199 0.989601 0.923583 O\n0.280801 0.989601 0.423583 O\n0.987413 0.106165 0.015844 O\n0.012587 0.106165 0.515844 O\n0.512589 0.893917 0.984150 O\n0.487411 0.893917 0.484150 O\n0.105394 0.731758 0.262979 O\n0.894606 0.731758 0.762979 O\n0.394683 0.268289 0.736891 O\n0.605317 0.268289 0.236891 O\n0.773262 0.231111 0.001543 O\n0.226738 0.231111 0.501543 O\n0.726715 0.768885 0.998466 O\n0.273285 0.768885 0.498466 O\n0.894995 0.202086 0.107334 O\n0.105005 0.202086 0.607334 O\n0.605054 0.798061 0.892669 O\n0.394946 0.798061 0.392669 O\n0.890992 0.803113 0.204500 O\n0.109008 0.803113 0.704500 O\n0.608877 0.196738 0.795569 O\n0.391123 0.196738 0.295569 O\n0.307741 0.318752 0.005433 O\n0.692259 0.318752 0.505433 O\n0.192259 0.681158 0.994610 O\n0.807741 0.681158 0.494610 O\n0.692572 0.041263 0.384034 O\n0.307428 0.041263 0.884034 O\n0.807941 0.959043 0.616745 O\n0.192059 0.959043 0.116745 O\n0.309001 0.955615 0.137963 O\n0.690999 0.955615 0.637963 O\n0.190994 0.044283 0.861914 O\n0.809006 0.044283 0.361914 O\n0.402466 0.715199 0.225064 O\n0.597534 0.715199 0.725064 O\n0.097420 0.285275 0.774741 O\n0.902580 0.285275 0.274741 O\n0.414197 0.202387 0.175084 O\n0.585803 0.202387 0.675084 O\n0.085883 0.797544 0.824908 O\n0.914117 0.797544 0.324908 O\n0.550731 0.493852 0.437181 O\n0.449269 0.493852 0.937181 O\n0.949155 0.506242 0.562769 O\n0.050845 0.506242 0.062769 O\n0.617764 0.616107 0.266794 O\n0.382236 0.616107 0.766794 O\n0.881747 0.383904 0.733148 O\n0.118253 0.383904 0.233148 O\n0.694459 0.450235 0.106892 O\n0.305541 0.450235 0.606892 O\n0.805879 0.550264 0.893265 O\n0.194121 0.550264 0.393265 O\n0.723476 0.372273 0.386089 O\n0.276524 0.372273 0.886089 O\n0.776466 0.627895 0.613859 O\n0.223534 0.627895 0.113859 O\n",
"nsites": 116,
"nelements": 4,
"elements": [
"K",
"Cd",
"S",
"O"
],
"chemical_system": "Cd-K-O-S",
"density": 2.712006807874286,
"density_atomic": 0.05822392042491579,
"volume": 1992.308301355126,
"volume_molar": 10.343069851790576,
"formula_full": "K16 Cd8 S16 O76",
"formula_reduced": "K4Cd2S4O19",
"formula_anonymous": "A2B4C4D19",
"energy": -636.96377811,
"energy_per_atom": -5.491067052672414,
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"formation_energy": null,
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"energy_uncorrected": -624.72777811,
"band_gap": 0.1461,
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"is_magnetic": true,
"total_magnetization": 16.0001051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.259000Z",
"spacegroup": 14
},
{
"id": "mp-769659",
"created_at": "2022-09-04T14:47:44.019990Z",
"structure_string": "Li8 Ti4 Fe4 O16\n1.0\n-5.877651 0.163577 -0.148775\n0.214747 -3.416101 4.807637\n2.981324 7.143718 5.115455\nLi Ti Fe O\n8 4 4 16\ndirect\n0.874516 0.750625 0.251780 Li\n0.374014 0.249972 0.252339 Li\n0.130756 0.745841 0.755766 Li\n0.631210 0.244448 0.756382 Li\n0.522471 0.989153 0.032224 Li\n0.023869 0.487100 0.032006 Li\n0.728514 0.009228 0.469652 Li\n0.228015 0.509417 0.469935 Li\n0.244681 0.029478 0.500434 Ti\n0.738799 0.533254 0.496931 Ti\n0.522080 0.468178 0.011655 Ti\n0.024470 0.970723 0.011408 Ti\n0.374043 0.749844 0.251010 Fe\n0.627982 0.747162 0.756819 Fe\n0.874598 0.249538 0.251531 Fe\n0.119231 0.251792 0.748183 Fe\n0.121969 0.999261 0.246380 O\n0.622575 0.499567 0.247971 O\n0.362273 0.989360 0.710226 O\n0.844522 0.504324 0.709806 O\n0.991233 0.741696 0.491459 O\n0.491591 0.241750 0.491227 O\n0.015085 0.235937 0.502902 O\n0.512685 0.738606 0.500869 O\n0.625389 0.999226 0.251529 O\n0.124439 0.499835 0.251708 O\n0.897690 0.010674 0.794471 O\n0.384830 0.498085 0.795083 O\n0.734614 0.262520 0.001159 O\n0.234203 0.762242 0.001107 O\n0.750843 0.753137 0.007614 O\n0.254821 0.252129 0.012309 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 3.9546574647367345,
"density_atomic": 0.1049189672582189,
"volume": 304.99728348682595,
"volume_molar": 5.739801789297779,
"formula_full": "Li8 Ti4 Fe4 O16",
"formula_reduced": "Li2TiFeO4",
"formula_anonymous": "ABC2D4",
"energy": -240.81051244,
"energy_per_atom": -7.52532851375,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.01e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.417000Z",
"spacegroup": 1
},
{
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"updated_at": "2021-11-28T01:38:16.750000Z",
"spacegroup": 19
},
{
"id": "mp-504246",
"created_at": "2022-09-04T14:47:56.304869Z",
"structure_string": "Li16 Ni16 P16 O64\n1.0\n4.947114 8.614341 0.000000\n-4.947114 8.614341 0.000000\n0.000000 3.014807 16.238004\nLi Ni P O\n16 16 16 64\ndirect\n0.882771 0.266446 0.127498 Li\n0.440786 0.773453 0.126158 Li\n0.266446 0.882771 0.627498 Li\n0.773453 0.440786 0.626158 Li\n0.993029 0.335772 0.377851 Li\n0.503938 0.890275 0.377350 Li\n0.335772 0.993029 0.877851 Li\n0.890275 0.503938 0.877350 Li\n0.380095 0.279208 0.126863 Li\n0.936494 0.782583 0.123965 Li\n0.279208 0.380095 0.626863 Li\n0.782583 0.936494 0.623965 Li\n0.999567 0.831963 0.375951 Li\n0.498892 0.393077 0.381177 Li\n0.831963 0.999567 0.875951 Li\n0.393077 0.498892 0.881177 Li\n0.203907 0.807460 0.003470 Ni\n0.807460 0.203907 0.503470 Ni\n0.700447 0.589689 0.246889 Ni\n0.244451 0.087784 0.246134 Ni\n0.144992 0.307505 0.001744 Ni\n0.702192 0.804837 0.005484 Ni\n0.589689 0.700447 0.746889 Ni\n0.087784 0.244451 0.746134 Ni\n0.307505 0.144992 0.501744 Ni\n0.804837 0.702192 0.505484 Ni\n0.185376 0.564962 0.257080 Ni\n0.745265 0.095140 0.248126 Ni\n0.653359 0.301484 0.007560 Ni\n0.564962 0.185376 0.757080 Ni\n0.095140 0.745265 0.748126 Ni\n0.301484 0.653359 0.507560 Ni\n0.100372 0.912586 0.191713 P\n0.912586 0.100372 0.691713 P\n0.162138 0.990314 0.436924 P\n0.658189 0.546309 0.439582 P\n0.990314 0.162138 0.936924 P\n0.546309 0.658189 0.939582 P\n0.039658 0.419463 0.187414 P\n0.598091 0.923029 0.192155 P\n0.419463 0.039658 0.687414 P\n0.923029 0.598091 0.692155 P\n0.158831 0.489996 0.442284 P\n0.663253 0.044000 0.439548 P\n0.489996 0.158831 0.942284 P\n0.044001 0.663253 0.939548 P\n0.538499 0.422449 0.194136 P\n0.422449 0.538499 0.694136 P\n0.954019 0.074548 0.207349 O\n0.425294 0.745573 0.011933 O\n0.535023 0.578297 0.199350 O\n0.496934 0.560853 0.434589 O\n0.986582 0.237369 0.014454 O\n0.247922 0.932144 0.182637 O\n0.074548 0.954019 0.707349 O\n0.999624 0.138870 0.428512 O\n0.745573 0.425294 0.511933 O\n0.578297 0.535023 0.699350 O\n0.560853 0.496934 0.934589 O\n0.762878 0.485776 0.358517 O\n0.274762 0.993720 0.361215 O\n0.879787 0.435717 0.177465 O\n0.237369 0.986582 0.514454 O\n0.932144 0.247922 0.682637 O\n0.138870 0.999624 0.928512 O\n0.602648 0.840775 0.117895 O\n0.634524 0.707982 0.453972 O\n0.110844 0.313888 0.267225 O\n0.603101 0.811243 0.270433 O\n0.485776 0.762878 0.858517 O\n0.993720 0.274762 0.861215 O\n0.435717 0.879787 0.677465 O\n0.158903 0.336375 0.114162 O\n0.445372 0.082337 0.200980 O\n0.135099 0.344725 0.454695 O\n0.840775 0.602648 0.617895 O\n0.707982 0.634524 0.953972 O\n0.313888 0.110844 0.767225 O\n0.811243 0.603101 0.770433 O\n0.922978 0.744190 0.012957 O\n0.019981 0.582669 0.193851 O\n0.336375 0.158903 0.614162 O\n0.504141 0.056309 0.430519 O\n0.494159 0.232730 0.017706 O\n0.741681 0.949102 0.179219 O\n0.082337 0.445372 0.700980 O\n0.997226 0.638459 0.429927 O\n0.344725 0.135099 0.954695 O\n0.744190 0.922978 0.512957 O\n0.582669 0.019981 0.693851 O\n0.056309 0.504141 0.930519 O\n0.272216 0.484391 0.364926 O\n0.774632 0.985230 0.360544 O\n0.373817 0.454286 0.179734 O\n0.232730 0.494159 0.517706 O\n0.949102 0.741681 0.679219 O\n0.638459 0.997226 0.929927 O\n0.092780 0.854552 0.111516 O\n0.633946 0.206975 0.455872 O\n0.103553 0.790885 0.263973 O\n0.598581 0.313805 0.274227 O\n0.484391 0.272216 0.864926 O\n0.985230 0.774632 0.860544 O\n0.657215 0.329709 0.122233 O\n0.454286 0.373817 0.679734 O\n0.142852 0.842947 0.445863 O\n0.854552 0.092780 0.611516 O\n0.206975 0.633946 0.955872 O\n0.790885 0.103553 0.763973 O\n0.313805 0.598581 0.774227 O\n0.329709 0.657215 0.622233 O\n0.842947 0.142852 0.945863 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.0831424088391315,
"density_atomic": 0.08092475725061336,
"volume": 1384.0016801428355,
"volume_molar": 7.44165440169344,
"formula_full": "Li16 Ni16 P16 O64",
"formula_reduced": "LiNiPO4",
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"updated_at": "2021-11-28T01:38:15.228000Z",
"spacegroup": 9
}
]
}