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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=96",
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"results": [
{
"id": "mp-1235509",
"created_at": "2022-09-04T14:39:58.739493Z",
"structure_string": "Li1 Zn1 Sb4 O8\n1.0\n3.158809 0.189430 1.208355\n2.178352 7.237200 2.729995\n1.585189 1.505297 10.025947\nLi Zn Sb O\n1 1 4 8\ndirect\n0.725339 0.060501 0.853038 Li\n0.259935 0.061112 0.171047 Zn\n0.557946 0.249282 0.501586 Sb\n0.217005 0.644680 0.146040 Sb\n0.848107 0.393978 0.889687 Sb\n0.431847 0.805788 0.563315 Sb\n0.781524 0.704031 0.727573 O\n0.586195 0.351511 0.762207 O\n0.482987 0.737361 0.238248 O\n0.188470 0.384486 0.335329 O\n0.082032 0.035088 0.640242 O\n0.962336 0.077843 0.026731 O\n0.935828 0.034528 0.402449 O\n0.110280 0.408781 0.038800 O\n",
"nsites": 14,
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"elements": [
"Li",
"Zn",
"Sb",
"O"
],
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"density": 5.62270364916892,
"density_atomic": 0.06896424010040862,
"volume": 203.0037593340646,
"volume_molar": 8.732265810849293,
"formula_full": "Li1 Zn1 Sb4 O8",
"formula_reduced": "LiZn(SbO2)4",
"formula_anonymous": "ABC4D8",
"energy": -82.89294894999999,
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"total_magnetization": 9.4e-06,
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"updated_at": "2021-11-28T01:34:41.466000Z",
"spacegroup": 1
},
{
"id": "mp-1177747",
"created_at": "2022-09-04T14:39:58.849770Z",
"structure_string": "Li32 Mn13 Cr3 O48\n1.0\n-5.006190 0.000000 0.000000\n-0.003019 -8.694570 0.000000\n1.590674 2.852937 19.153429\nLi Mn Cr O\n32 13 3 48\ndirect\n0.992395 0.168273 0.249739 Li\n0.872711 0.374302 0.375164 Li\n0.751719 0.248361 0.000115 Li\n0.742123 0.920494 0.000018 Li\n0.990701 0.169225 0.750460 Li\n0.756535 0.580236 0.500047 Li\n0.877943 0.375500 0.874779 Li\n0.749173 0.251025 0.499790 Li\n0.743854 0.919240 0.500178 Li\n0.624913 0.124928 0.124942 Li\n0.756508 0.580759 0.999833 Li\n0.509272 0.330725 0.249444 Li\n0.627386 0.124295 0.624746 Li\n0.500011 0.999776 0.249892 Li\n0.489837 0.669050 0.249770 Li\n0.507764 0.333934 0.749963 Li\n0.374710 0.873868 0.374792 Li\n0.498412 0.998888 0.749779 Li\n0.250113 0.749917 0.000039 Li\n0.490639 0.667220 0.749303 Li\n0.241221 0.420005 0.000732 Li\n0.375990 0.875439 0.875273 Li\n0.255281 0.078999 0.499490 Li\n0.252555 0.750882 0.500235 Li\n0.124812 0.625183 0.125044 Li\n0.242006 0.420152 0.500383 Li\n0.009031 0.830523 0.250424 Li\n0.258325 0.080289 0.999735 Li\n0.125499 0.624301 0.625272 Li\n0.998736 0.501847 0.249787 Li\n0.008344 0.832084 0.750380 Li\n0.003123 0.499373 0.750240 Li\n0.872985 0.709830 0.374499 Mn\n0.875667 0.041467 0.374972 Mn\n0.873556 0.708569 0.875077 Mn\n0.876953 0.040362 0.875694 Mn\n0.625509 0.791469 0.124846 Mn\n0.624578 0.458526 0.124836 Mn\n0.624925 0.791495 0.625181 Mn\n0.626571 0.460190 0.625770 Mn\n0.376287 0.207184 0.375592 Mn\n0.373271 0.542471 0.874284 Mn\n0.124690 0.958370 0.124921 Mn\n0.125498 0.291335 0.124907 Mn\n0.122758 0.956933 0.624522 Mn\n0.370618 0.539328 0.375038 Cr\n0.379716 0.210248 0.874805 Cr\n0.131412 0.289453 0.625073 Cr\n0.964545 0.106418 0.069327 O\n0.928417 0.785267 0.069037 O\n0.928045 0.427345 0.068131 O\n0.961975 0.102022 0.568528 O\n0.821875 0.964550 0.180808 O\n0.822107 0.322733 0.181731 O\n0.928425 0.784033 0.569286 O\n0.927776 0.426543 0.568350 O\n0.785208 0.643455 0.180495 O\n0.712478 0.857578 0.319220 O\n0.820713 0.964963 0.680949 O\n0.821845 0.323453 0.681718 O\n0.677030 0.536521 0.319199 O\n0.678348 0.177664 0.318278 O\n0.787648 0.644633 0.680895 O\n0.714451 0.856526 0.819428 O\n0.463914 0.606284 0.069050 O\n0.572741 0.714263 0.431027 O\n0.571726 0.071423 0.431679 O\n0.677996 0.535166 0.819425 O\n0.674591 0.176034 0.818197 O\n0.427995 0.927450 0.068287 O\n0.428174 0.285198 0.069053 O\n0.537766 0.389833 0.431489 O\n0.464177 0.607070 0.569345 O\n0.571500 0.714527 0.930841 O\n0.577242 0.070255 0.932606 O\n0.322221 0.822557 0.181555 O\n0.321896 0.464574 0.180804 O\n0.427786 0.927828 0.568514 O\n0.424567 0.287172 0.569507 O\n0.531206 0.392349 0.930612 O\n0.285971 0.143630 0.180776 O\n0.217986 0.356937 0.319500 O\n0.322209 0.822247 0.681828 O\n0.327198 0.467983 0.681610 O\n0.173048 0.679749 0.317492 O\n0.177839 0.035029 0.319113 O\n0.281339 0.144015 0.680695 O\n0.211372 0.360153 0.818079 O\n0.076037 0.574796 0.431571 O\n0.071733 0.215004 0.430824 O\n0.177875 0.678809 0.818393 O\n0.177832 0.036329 0.819021 O\n0.036218 0.893918 0.430548 O\n0.071328 0.572261 0.931719 O\n0.071585 0.214246 0.930789 O\n0.037414 0.892883 0.930862 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.7052899034317837,
"density_atomic": 0.11515141001064268,
"volume": 833.6849717352776,
"volume_molar": 5.229758593006732,
"formula_full": "Li32 Mn13 Cr3 O48",
"formula_reduced": "Li32Mn13Cr3O48",
"formula_anonymous": "A3B13C32D48",
"energy": -657.80374398,
"energy_per_atom": -6.852122333125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -597.14674398,
"band_gap": 1.3745,
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"total_magnetization": 45.0962355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.761000Z",
"spacegroup": 1
},
{
"id": "mp-783911",
"created_at": "2022-09-04T14:39:58.920257Z",
"structure_string": "Li12 V24 O12 F60\n1.0\n-9.257540 0.000000 0.000000\n-4.144465 -8.308634 0.000000\n-2.513869 -0.817477 17.087188\nLi V O F\n12 24 12 60\ndirect\n0.714329 0.971466 0.935803 Li\n0.677461 0.724819 0.820229 Li\n0.815470 0.701505 0.437502 Li\n0.533106 0.629734 0.554620 Li\n0.347154 0.391988 0.820960 Li\n0.579152 0.395075 0.077934 Li\n0.481330 0.366582 0.437237 Li\n0.198736 0.295827 0.555057 Li\n0.012722 0.629422 0.058284 Li\n0.011008 0.063289 0.822060 Li\n0.247001 0.060332 0.078058 Li\n0.146315 0.031850 0.437799 Li\n0.750788 0.992497 0.749812 V\n0.883466 0.982750 0.370310 V\n0.920374 0.676676 0.255319 V\n0.786416 0.672424 0.622986 V\n0.513331 0.981649 0.503285 V\n0.961322 0.340349 0.123531 V\n0.419873 0.660378 0.752158 V\n0.646600 0.670867 0.004321 V\n0.549978 0.649751 0.368269 V\n0.845701 0.313484 0.504246 V\n0.688639 0.349964 0.871921 V\n0.589911 0.336749 0.256364 V\n0.297129 0.676043 0.123001 V\n0.451577 0.335506 0.623916 V\n0.980931 0.005723 0.003266 V\n0.175383 0.651026 0.504431 V\n0.025497 0.679353 0.868678 V\n0.635382 0.001744 0.122323 V\n0.084913 0.325352 0.752082 V\n0.315507 0.337246 0.002309 V\n0.214599 0.319684 0.368123 V\n0.353538 0.014776 0.871178 V\n0.256320 0.006696 0.257057 V\n0.115977 0.999734 0.623671 V\n0.844791 0.806444 0.815995 O\n0.892255 0.790357 0.343660 O\n0.613790 0.789214 0.562014 O\n0.955064 0.131409 0.563171 O\n0.517587 0.467382 0.812373 O\n0.453886 0.666911 0.039976 O\n0.558629 0.456160 0.343342 O\n0.281011 0.456510 0.562461 O\n0.778783 0.007509 0.031618 O\n0.183846 0.133526 0.812136 O\n0.116011 0.346740 0.040880 O\n0.223519 0.125343 0.344313 O\n0.793567 0.865401 0.657467 F\n0.879787 0.682327 0.969044 F\n0.948641 0.656961 0.525368 F\n0.533861 0.982646 0.785401 F\n0.811097 0.876232 0.186396 F\n0.971393 0.528372 0.685379 F\n0.558344 0.881879 0.932626 F\n0.636086 0.673262 0.723395 F\n0.697358 0.556921 0.903144 F\n0.943802 0.553902 0.155944 F\n0.471511 0.003288 0.210586 F\n0.550212 0.850230 0.411091 F\n0.215321 0.006224 0.971154 F\n0.703851 0.668937 0.283001 F\n0.649799 0.791124 0.089201 F\n0.281905 0.997738 0.526204 F\n0.385739 0.795216 0.840980 F\n0.867698 0.314544 0.784821 F\n0.784120 0.470686 0.591129 F\n0.305151 0.863897 0.686931 F\n0.732610 0.534141 0.443418 F\n0.887811 0.203211 0.929443 F\n0.767542 0.450269 0.061034 F\n0.356665 0.794991 0.313430 F\n0.968353 0.006886 0.724897 F\n0.459273 0.540267 0.652843 F\n0.399252 0.656782 0.471726 F\n0.023115 0.889199 0.902367 F\n0.807036 0.333291 0.212906 F\n0.277027 0.887817 0.156397 F\n0.886547 0.185250 0.412087 F\n0.547543 0.339356 0.971219 F\n0.990090 0.123646 0.089541 F\n0.037985 0.002126 0.285718 F\n0.611188 0.332802 0.527118 F\n0.708161 0.125935 0.845270 F\n0.202858 0.649080 0.783896 F\n0.134714 0.790800 0.592559 F\n0.483865 0.528590 0.183636 F\n0.635321 0.199440 0.688684 F\n0.075919 0.862265 0.439897 F\n0.211546 0.543083 0.933589 F\n0.689204 0.128813 0.313623 F\n0.102134 0.785691 0.059674 F\n0.302229 0.340879 0.723762 F\n0.722124 0.995163 0.465438 F\n0.364794 0.220997 0.902746 F\n0.612622 0.218791 0.154742 F\n0.138170 0.669958 0.211574 F\n0.217393 0.520440 0.411905 F\n0.369391 0.334893 0.283849 F\n0.315479 0.462625 0.088003 F\n0.047296 0.464314 0.839343 F\n0.450667 0.134856 0.592285 F\n0.396769 0.203120 0.444173 F\n0.436984 0.116054 0.059373 F\n0.020835 0.465081 0.313080 F\n0.126515 0.206479 0.653694 F\n0.064134 0.329105 0.470827 F\n0.149053 0.199113 0.183262 F\n",
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"V",
"O",
"F"
],
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"density_atomic": 0.08217277094510032,
"volume": 1314.3039812075324,
"volume_molar": 7.328632940981625,
"formula_full": "Li12 V24 O12 F60",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy": -741.74359045,
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},
{
"id": "mp-1393942",
"created_at": "2022-09-04T14:39:58.950072Z",
"structure_string": "V4 Zn4 O8\n1.0\n3.030596 0.000000 0.000000\n-1.373066 8.637908 0.000000\n-0.861234 -3.974490 8.989742\nV Zn O\n4 4 8\ndirect\n0.171601 0.587173 0.786118 V\n0.370718 0.168451 0.633190 V\n0.652610 0.859958 0.386770 V\n0.869750 0.441792 0.236303 V\n0.798321 0.354811 0.947886 Zn\n0.209629 0.673070 0.072993 Zn\n0.254351 0.125674 0.315465 Zn\n0.775101 0.903571 0.706018 Zn\n0.455808 0.615312 0.278107 O\n0.212061 0.897406 0.547139 O\n0.806188 0.131295 0.472424 O\n0.549597 0.412373 0.742307 O\n0.729503 0.723462 0.763180 O\n0.896089 0.149786 0.766843 O\n0.313973 0.302083 0.252155 O\n0.128590 0.879400 0.253765 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "O-V-Zn",
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"formula_full": "V4 Zn4 O8",
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"formula_anonymous": "ABC2",
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},
{
"id": "mp-773105",
"created_at": "2022-09-04T14:39:58.852357Z",
"structure_string": "Li2 Zr7 Fe1 P12 O48\n1.0\n8.984931 0.000000 0.000000\n-0.007070 9.075937 0.000000\n-0.003851 -0.025595 12.546390\nLi Zr Fe P O\n2 7 1 12 48\ndirect\n0.784002 0.777068 0.819238 Li\n0.780481 0.720788 0.188055 Li\n0.251665 0.467068 0.620536 Zr\n0.252174 0.037499 0.376824 Zr\n0.251805 0.964598 0.881590 Zr\n0.251257 0.534762 0.120096 Zr\n0.747538 0.453244 0.883162 Zr\n0.747185 0.045814 0.122295 Zr\n0.748278 0.972346 0.612880 Zr\n0.748830 0.535999 0.385811 Fe\n0.032263 0.750629 0.493857 P\n0.103383 0.608951 0.857216 P\n0.103595 0.890516 0.144111 P\n0.403799 0.393288 0.357824 P\n0.387808 0.106080 0.643114 P\n0.458053 0.249569 0.001257 P\n0.542677 0.749397 0.999762 P\n0.605134 0.881741 0.354338 P\n0.616633 0.606598 0.644645 P\n0.887589 0.401153 0.150889 P\n0.892490 0.101285 0.857429 P\n0.963644 0.256940 0.493892 P\n0.060745 0.352112 0.568394 O\n0.063893 0.161442 0.422678 O\n0.061530 0.089048 0.848044 O\n0.057670 0.417271 0.159557 O\n0.130397 0.851327 0.425534 O\n0.130840 0.648875 0.561562 O\n0.155181 0.562053 0.968625 O\n0.154978 0.935385 0.032280 O\n0.151443 0.768292 0.833389 O\n0.156179 0.732941 0.169153 O\n0.170784 0.504885 0.772509 O\n0.169153 0.000977 0.225270 O\n0.321034 0.000996 0.726100 O\n0.336466 0.496170 0.273154 O\n0.362401 0.231079 0.335490 O\n0.344744 0.267537 0.666331 O\n0.345103 0.437367 0.468268 O\n0.331434 0.062564 0.531911 O\n0.361120 0.155650 0.927555 O\n0.357450 0.341997 0.073609 O\n0.435347 0.899424 0.347458 O\n0.444970 0.595240 0.648991 O\n0.445854 0.854840 0.933767 O\n0.444751 0.643768 0.064906 O\n0.557030 0.350227 0.931813 O\n0.557888 0.150683 0.071690 O\n0.574988 0.409264 0.353876 O\n0.559267 0.091078 0.648255 O\n0.645858 0.664334 0.920905 O\n0.647557 0.834081 0.077467 O\n0.657410 0.921605 0.468112 O\n0.671810 0.572622 0.532128 O\n0.667637 0.764715 0.678788 O\n0.655614 0.723854 0.324792 O\n0.681044 0.497815 0.727420 O\n0.679331 0.988590 0.274257 O\n0.820660 0.989619 0.777074 O\n0.816021 0.513294 0.229190 O\n0.844400 0.260173 0.831160 O\n0.842555 0.240182 0.175511 O\n0.832983 0.440247 0.037472 O\n0.838443 0.061217 0.970270 O\n0.865407 0.357233 0.424840 O\n0.862428 0.156631 0.562506 O\n0.930746 0.894010 0.152604 O\n0.930399 0.602465 0.849629 O\n0.934565 0.845212 0.567883 O\n0.935042 0.654273 0.419005 O\n",
"nsites": 70,
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"volume": 1023.1162962316885,
"volume_molar": 8.80192907108155,
"formula_full": "Li2 Zr7 Fe1 P12 O48",
"formula_reduced": "Li2Zr7Fe(PO4)12",
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"spacegroup": 1
},
{
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{
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"formula_reduced": "LiMnVP2(O4F)2",
"formula_anonymous": "ABCD2E2F8",
"energy": -66.44440912,
"energy_per_atom": -4.429627274666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.65640912,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2471967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.457000Z",
"spacegroup": 1
}
]
}