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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10137",
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"results": [
{
"id": "mp-1233296",
"created_at": "2022-09-04T14:42:14.066063Z",
"structure_string": "Ba2 Mg1 Mn2 P4 O14\n1.0\n5.584217 0.110009 -0.127328\n-0.377512 8.554626 -2.167174\n-0.064592 -0.739923 7.619936\nBa Mg Mn P O\n2 1 2 4 14\ndirect\n0.221002 0.790087 0.964450 Ba\n0.804707 0.247284 0.028934 Ba\n0.779866 0.075395 0.401342 Mg\n0.198517 0.596898 0.411314 Mn\n0.807232 0.407465 0.618102 Mn\n0.692460 0.702213 0.230891 P\n0.311709 0.317151 0.772969 P\n0.720802 0.795244 0.638349 P\n0.281406 0.185797 0.337568 P\n0.503519 0.101759 0.239074 O\n0.467261 0.721844 0.631298 O\n0.777108 0.948383 0.796817 O\n0.067798 0.067026 0.248058 O\n0.243623 0.351825 0.324108 O\n0.918030 0.669226 0.623135 O\n0.739233 0.843193 0.444755 O\n0.310925 0.194846 0.552210 O\n0.120559 0.445120 0.792844 O\n0.872289 0.572748 0.227591 O\n0.560892 0.402170 0.818678 O\n0.425753 0.652837 0.221514 O\n0.267818 0.205200 0.881814 O\n0.744993 0.795576 0.102519 O\n",
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],
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"volume": 355.2825130448201,
"volume_molar": 9.302440448358448,
"formula_full": "Ba2 Mg1 Mn2 P4 O14",
"formula_reduced": "Ba2MgMn2(P2O7)2",
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"updated_at": "2021-11-28T01:35:38.508000Z",
"spacegroup": 1
},
{
"id": "mp-765989",
"created_at": "2022-09-04T14:46:54.629824Z",
"structure_string": "Li4 Mn2 C4 O12\n1.0\n-1.822259 -0.000237 -4.906612\n7.188490 0.000006 -0.297559\n-0.000020 -7.770455 -0.000364\nLi Mn C O\n4 2 4 12\ndirect\n0.886511 0.287588 0.597447 Li\n0.613483 0.212345 0.097379 Li\n0.387020 0.787943 0.902468 Li\n0.112980 0.712054 0.402590 Li\n0.000558 0.000100 0.000295 Mn\n0.499319 0.499839 0.500048 Mn\n0.330735 0.160825 0.743492 C\n0.169230 0.339168 0.243534 C\n0.830747 0.660775 0.756472 C\n0.669240 0.839251 0.256454 C\n0.415646 0.093660 0.881992 O\n0.494475 0.230461 0.618542 O\n0.079746 0.151973 0.738229 O\n0.420285 0.347998 0.238224 O\n0.005469 0.269477 0.118754 O\n0.915314 0.593369 0.617954 O\n0.084539 0.406485 0.382064 O\n0.994746 0.730772 0.881158 O\n0.579671 0.651721 0.761953 O\n0.920309 0.848195 0.261968 O\n0.505147 0.769268 0.381083 O\n0.584838 0.906737 0.117905 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Mn",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 2.2535987924611387,
"density_atomic": 0.07905532953102024,
"volume": 278.2861083561419,
"volume_molar": 7.617627800333175,
"formula_full": "Li4 Mn2 C4 O12",
"formula_reduced": "Li2Mn(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -168.20466339,
"energy_per_atom": -7.645666517727273,
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"updated_at": "2021-11-28T01:37:48.774000Z",
"spacegroup": 14
},
{
"id": "mp-849409",
"created_at": "2022-09-04T14:43:24.213147Z",
"structure_string": "V8 O6 F18\n1.0\n5.267277 0.000000 0.000000\n-2.597914 -4.701455 0.000000\n-2.625777 0.642797 -17.142785\nV O F\n8 6 18\ndirect\n0.251079 0.631179 0.874729 V\n0.249892 0.119764 0.375233 V\n0.501594 0.231622 0.753560 V\n0.502526 0.718860 0.252927 V\n0.732302 0.849765 0.630162 V\n0.733935 0.392194 0.127446 V\n0.997594 0.030858 0.996173 V\n0.998415 0.517383 0.496621 V\n0.040071 0.306204 0.939775 O\n0.037578 0.790785 0.439963 O\n0.458051 0.951198 0.809081 O\n0.553882 0.576093 0.687021 O\n0.463108 0.448542 0.310720 O\n0.591845 0.575357 0.164376 O\n0.068754 0.833582 0.914377 F\n0.079560 0.060946 0.709645 F\n0.068515 0.320827 0.414891 F\n0.080437 0.537793 0.209523 F\n0.580066 0.793366 0.965114 F\n0.432474 0.425353 0.835848 F\n0.428248 0.919076 0.334437 F\n0.426007 0.699633 0.537971 F\n0.571645 0.090087 0.660235 F\n0.571221 0.281549 0.463151 F\n0.422919 0.204597 0.038582 F\n0.936238 0.670878 0.588923 F\n0.920962 0.461032 0.785380 F\n0.927499 0.963939 0.287389 F\n0.535457 0.051330 0.187229 F\n0.967063 0.693203 0.059824 F\n0.953031 0.183363 0.562356 F\n0.918032 0.169644 0.087340 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "F-O-V",
"density": 3.3072171664190773,
"density_atomic": 0.07537896297100714,
"volume": 424.52162697313963,
"volume_molar": 7.989153104051437,
"formula_full": "V8 O6 F18",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -231.17585013,
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"updated_at": "2021-11-28T01:36:13.233000Z",
"spacegroup": 1
},
{
"id": "mp-777342",
"created_at": "2022-09-04T14:43:01.206626Z",
"structure_string": "V8 O6 F18\n1.0\n5.255981 0.000000 0.000000\n2.615445 4.719772 0.000000\n2.464181 0.946801 17.148932\nV O F\n8 6 18\ndirect\n0.379927 0.340332 0.871027 V\n0.869506 0.905073 0.380305 V\n0.746424 0.746983 0.749529 V\n0.233390 0.269375 0.244400 V\n0.110203 0.153522 0.628044 V\n0.643101 0.622268 0.124507 V\n0.993973 0.971303 0.002255 V\n0.478176 0.517253 0.491801 V\n0.764773 0.186160 0.433664 O\n0.472707 0.072802 0.814307 O\n0.251283 0.672556 0.420734 O\n0.016757 0.422259 0.684831 O\n0.015598 0.410686 0.172234 O\n0.816246 0.787273 0.040822 O\n0.765444 0.163488 0.912841 F\n0.287943 0.674096 0.935923 F\n0.965491 0.950237 0.709545 F\n0.466713 0.465919 0.211702 F\n0.210501 0.199231 0.962334 F\n0.984674 0.584502 0.838476 F\n0.495817 0.082278 0.331706 F\n0.286030 0.288207 0.537411 F\n0.976040 0.566290 0.317730 F\n0.507786 0.914893 0.662103 F\n0.713186 0.711131 0.462115 F\n0.735936 0.330753 0.580944 F\n0.525050 0.545879 0.790162 F\n0.050280 0.030363 0.288763 F\n0.543762 0.940649 0.187888 F\n0.720427 0.313174 0.060539 F\n0.225876 0.814726 0.565652 F\n0.246980 0.846337 0.085708 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.3002789483832005,
"density_atomic": 0.07522082528179776,
"volume": 425.4141041409644,
"volume_molar": 8.005948801331833,
"formula_full": "V8 O6 F18",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -231.33693976,
"energy_per_atom": -7.2292793675,
"energy_above_hull": null,
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"energy_uncorrected": -205.29893976,
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"updated_at": "2021-11-28T01:36:00.721000Z",
"spacegroup": 1
},
{
"id": "mp-861729",
"created_at": "2022-09-04T14:44:14.261013Z",
"structure_string": "Li4 Ti2 Mn3 Co3 O16\n1.0\n5.865285 0.017677 0.034690\n2.948983 5.132570 0.094797\n0.057231 0.145354 9.493065\nLi Ti Mn Co O\n4 2 3 3 16\ndirect\n0.661960 0.675351 0.898140 Li\n0.997654 0.003270 0.994237 Li\n0.009281 0.996759 0.492750 Li\n0.336909 0.333970 0.395419 Li\n0.675146 0.663136 0.496699 Ti\n0.323882 0.346768 0.998196 Ti\n0.825399 0.828602 0.215612 Mn\n0.169440 0.655300 0.716094 Mn\n0.661891 0.172191 0.712315 Mn\n0.338996 0.825839 0.217393 Co\n0.826441 0.341153 0.214583 Co\n0.183443 0.159045 0.719186 Co\n0.341942 0.820016 0.596526 O\n0.524041 0.518431 0.339672 O\n0.669672 0.680580 0.106346 O\n0.990934 0.990376 0.304910 O\n0.997221 0.984301 0.805024 O\n0.842197 0.326934 0.593296 O\n0.530102 0.958080 0.341450 O\n0.962151 0.526499 0.338505 O\n0.159496 0.172257 0.094258 O\n0.852697 0.808783 0.592083 O\n0.035033 0.488982 0.838398 O\n0.476260 0.044567 0.839544 O\n0.337227 0.346413 0.608164 O\n0.153486 0.667017 0.098208 O\n0.458340 0.502220 0.846426 O\n0.658459 0.163465 0.094406 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
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"Ti",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O-Ti",
"density": 4.198400678821987,
"density_atomic": 0.0981739002760833,
"volume": 285.2081858952204,
"volume_molar": 6.134156576304515,
"formula_full": "Li4 Ti2 Mn3 Co3 O16",
"formula_reduced": "Li4Ti2Mn3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.00851355,
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"updated_at": "2021-11-28T01:36:27.304000Z",
"spacegroup": 1
},
{
"id": "mp-756173",
"created_at": "2022-09-04T14:39:18.234815Z",
"structure_string": "Li10 Fe2 S8\n1.0\n5.870959 0.000000 0.000000\n0.000000 7.830569 0.000000\n0.000000 0.000000 7.942456\nLi Fe S\n10 2 8\ndirect\n0.253335 0.757481 0.787636 Li\n0.253335 0.242519 0.787636 Li\n0.796213 0.500000 0.000000 Li\n0.253335 0.757481 0.212364 Li\n0.253335 0.242519 0.212364 Li\n0.746665 0.742519 0.287636 Li\n0.746665 0.257481 0.287636 Li\n0.203787 0.000000 0.500000 Li\n0.746665 0.742519 0.712364 Li\n0.746665 0.257481 0.712364 Li\n0.771445 0.000000 0.000000 Fe\n0.228555 0.500000 0.500000 Fe\n0.984045 0.000000 0.760740 S\n0.557087 0.755893 0.000000 S\n0.557087 0.244107 0.000000 S\n0.984045 0.000000 0.239260 S\n0.015955 0.500000 0.260740 S\n0.442913 0.744107 0.500000 S\n0.442913 0.255893 0.500000 S\n0.015955 0.500000 0.739260 S\n",
"nsites": 20,
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"elements": [
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"Fe",
"S"
],
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"density": 1.9901649504580838,
"density_atomic": 0.05477379220062513,
"volume": 365.1381289567119,
"volume_molar": 10.994566047101758,
"formula_full": "Li10 Fe2 S8",
"formula_reduced": "Li5FeS4",
"formula_anonymous": "AB4C5",
"energy": -94.4656196,
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"updated_at": "2021-11-28T01:34:39.052000Z",
"spacegroup": 59
},
{
"id": "mp-1176223",
"created_at": "2022-09-04T14:40:12.800193Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.956443 0.000000 0.000000\n-0.121852 5.099650 0.000000\n-1.111726 -1.248755 19.177730\nLi Mn Co O\n9 2 5 16\ndirect\n0.007299 0.618449 0.870956 Li\n0.508765 0.730088 0.748852 Li\n0.990484 0.876351 0.624591 Li\n0.495031 0.002730 0.500808 Li\n0.000370 0.126908 0.376587 Li\n0.502848 0.248917 0.250070 Li\n0.998811 0.374152 0.125415 Li\n0.497053 0.508631 0.001703 Li\n0.986411 0.266214 0.750821 Li\n0.006946 0.996981 0.000375 Mn\n0.507127 0.131017 0.870234 Mn\n0.490620 0.372626 0.628951 Co\n0.002106 0.491227 0.500834 Co\n0.514634 0.615947 0.376291 Co\n0.002576 0.756901 0.250754 Co\n0.486790 0.878505 0.126227 Co\n0.539920 0.835058 0.937493 O\n0.983149 0.962037 0.818923 O\n0.498718 0.097539 0.677291 O\n0.019608 0.213278 0.562558 O\n0.534860 0.320178 0.440607 O\n0.016563 0.453748 0.315686 O\n0.497026 0.594631 0.188977 O\n0.026070 0.702071 0.064017 O\n0.494335 0.417470 0.817586 O\n0.963664 0.557940 0.681594 O\n0.466586 0.650110 0.562897 O\n0.999750 0.780448 0.437993 O\n0.502251 0.919526 0.309602 O\n0.955504 0.051676 0.184913 O\n0.473258 0.166812 0.063954 O\n0.030873 0.281840 0.932436 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
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"density": 4.152228011995484,
"density_atomic": 0.1106733096403585,
"volume": 289.13927038042397,
"volume_molar": 5.441366829608162,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.04299165,
"energy_per_atom": -6.5013434890625,
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"updated_at": "2021-11-28T01:34:55.839000Z",
"spacegroup": 1
},
{
"id": "mp-1174644",
"created_at": "2022-09-04T14:40:26.754191Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.994339 0.000000 0.000000\n-1.623882 5.670284 0.000000\n-0.807274 -0.331648 8.799090\nLi Mn Co O\n8 2 4 14\ndirect\n0.421885 0.362138 0.847567 Li\n0.698469 0.922943 0.436530 Li\n0.856629 0.216481 0.708052 Li\n0.147712 0.781377 0.296155 Li\n0.288037 0.068249 0.569867 Li\n0.573644 0.641690 0.146423 Li\n0.006229 0.500006 0.998432 Li\n0.284116 0.575745 0.576233 Li\n0.000858 0.997393 0.996171 Mn\n0.856030 0.711559 0.711447 Mn\n0.574619 0.146331 0.146184 Co\n0.138033 0.290612 0.298893 Co\n0.429139 0.856300 0.855116 Co\n0.708029 0.438840 0.432700 Co\n0.274882 0.289057 0.067893 O\n0.582276 0.881994 0.662094 O\n0.716527 0.150348 0.930829 O\n0.982080 0.747380 0.515991 O\n0.140339 0.012211 0.794408 O\n0.434875 0.590046 0.354575 O\n0.855679 0.453871 0.214192 O\n0.599401 0.415495 0.647115 O\n0.858529 0.974183 0.192943 O\n0.994674 0.254158 0.486646 O\n0.282106 0.837340 0.054626 O\n0.431899 0.113305 0.350867 O\n0.719633 0.703761 0.919493 O\n0.143668 0.567188 0.788561 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.165793969799826,
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"volume": 249.1842500143535,
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"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.36130523,
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"spacegroup": 1
},
{
"id": "mp-1227142",
"created_at": "2022-09-04T14:46:33.171677Z",
"structure_string": "Ca2 Nd2 Fe2 O8\n1.0\n2.730507 -6.000127 0.000000\n2.730507 6.000127 0.000000\n0.000000 0.000000 5.669096\nCa Nd Fe O\n2 2 2 8\ndirect\n0.603667 0.396333 0.519605 Ca\n0.396333 0.603667 0.019605 Ca\n0.889467 0.110533 0.480992 Nd\n0.110533 0.889467 0.980992 Nd\n0.252872 0.747128 0.496970 Fe\n0.747128 0.252872 0.996970 Fe\n0.420236 0.579764 0.430936 O\n0.075027 0.924973 0.570280 O\n0.579764 0.420236 0.930936 O\n0.924973 0.075027 0.070280 O\n0.520214 0.976987 0.750609 O\n0.479786 0.023013 0.250609 O\n0.976987 0.520214 0.250609 O\n0.023013 0.479786 0.750609 O\n",
"nsites": 14,
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"elements": [
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"Nd",
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"O"
],
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"density": 5.437976931404904,
"density_atomic": 0.07536687212467677,
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},
{
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"structure_string": "Li2 Mn2 F6\n1.0\n4.985114 -2.685009 0.000000\n4.985114 2.685009 0.000000\n3.538955 0.000000 4.420004\nLi Mn F\n2 2 6\ndirect\n0.143075 0.143075 0.143075 Li\n0.856925 0.856925 0.856925 Li\n0.645715 0.645715 0.645715 Mn\n0.354285 0.354285 0.354285 Mn\n0.950540 0.241718 0.557405 F\n0.442595 0.049460 0.758282 F\n0.758282 0.442595 0.049460 F\n0.241718 0.557405 0.950540 F\n0.557405 0.950540 0.241718 F\n0.049460 0.758282 0.442595 F\n",
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{
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"structure_string": "Li4 V6 Sn2 O16\n1.0\n5.875794 0.004290 0.002663\n-2.934182 5.082153 -0.005326\n0.004912 -0.008508 9.915096\nLi V Sn O\n4 6 2 16\ndirect\n0.333203 0.669020 0.894900 Li\n0.001348 0.997218 0.991920 Li\n0.998652 0.995870 0.491920 Li\n0.666797 0.335817 0.394900 Li\n0.176641 0.824682 0.215391 V\n0.647290 0.823585 0.213463 V\n0.352710 0.176294 0.713463 V\n0.824205 0.176858 0.713428 V\n0.175795 0.352653 0.213428 V\n0.823359 0.648041 0.715391 V\n0.333930 0.666392 0.494284 Sn\n0.666070 0.332461 0.994284 Sn\n0.161275 0.839282 0.604814 O\n0.033813 0.517094 0.340361 O\n0.332002 0.668352 0.096761 O\n0.000481 0.999977 0.303155 O\n0.999519 0.999496 0.803155 O\n0.160582 0.319579 0.603418 O\n0.484626 0.967706 0.339793 O\n0.482773 0.516349 0.338773 O\n0.319905 0.160096 0.103458 O\n0.680095 0.840192 0.603458 O\n0.515374 0.483080 0.839793 O\n0.517227 0.033576 0.838773 O\n0.667998 0.336350 0.596761 O\n0.838725 0.678007 0.104814 O\n0.966187 0.483281 0.840361 O\n0.839418 0.158996 0.103418 O\n",
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"formula_full": "Li4 V6 Sn2 O16",
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{
"id": "mp-22748",
"created_at": "2022-09-04T14:48:10.171863Z",
"structure_string": "Na2 La2 Mn2 W2 O12\n1.0\n5.711154 0.000000 0.000000\n0.000000 5.639420 0.000000\n0.000000 0.024244 8.106627\nNa La Mn W O\n2 2 2 2 12\ndirect\n0.773955 0.253658 0.500250 Na\n0.273955 0.746342 0.499750 Na\n0.713015 0.242753 0.000066 La\n0.213015 0.757247 0.999934 La\n0.749606 0.749788 0.737624 Mn\n0.249606 0.250212 0.262376 Mn\n0.755976 0.745913 0.260878 W\n0.255976 0.254087 0.739122 W\n0.228624 0.165250 0.518070 O\n0.728624 0.834750 0.481930 O\n0.279718 0.336020 0.990190 O\n0.779718 0.663980 0.009810 O\n0.545224 0.428182 0.717522 O\n0.045224 0.571818 0.282478 O\n0.570491 0.465706 0.277358 O\n0.070491 0.534294 0.722642 O\n0.490364 0.951125 0.191556 O\n0.990364 0.048875 0.808444 O\n0.959625 0.021182 0.193097 O\n0.459625 0.978818 0.806903 O\n",
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"elements": [
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],
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"density": 6.317543536187242,
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"formula_full": "Na2 La2 Mn2 W2 O12",
"formula_reduced": "NaLaMnWO6",
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"updated_at": "2021-11-28T01:38:32.638000Z",
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]
}