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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=1762",
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"results": [
{
"id": "mp-768159",
"created_at": "2022-09-04T14:46:37.156107Z",
"structure_string": "Li2 Sn2 P2 C2 O14\n1.0\n6.548304 0.000000 0.000000\n0.000000 5.234350 0.000000\n0.000000 0.615862 8.935639\nLi Sn P C O\n2 2 2 2 14\ndirect\n0.468759 0.765169 0.838405 Li\n0.968759 0.234831 0.161595 Li\n0.248275 0.211145 0.657616 Sn\n0.748275 0.788855 0.342384 Sn\n0.750988 0.269309 0.571492 P\n0.250988 0.730691 0.428508 P\n0.259810 0.272802 0.938347 C\n0.759810 0.727198 0.061653 C\n0.729873 0.690618 0.928338 O\n0.262279 0.042983 0.881211 O\n0.283320 0.463896 0.830555 O\n0.937151 0.197427 0.670204 O\n0.564426 0.170474 0.662549 O\n0.259347 0.848158 0.583341 O\n0.737922 0.566164 0.538822 O\n0.237922 0.433836 0.461178 O\n0.759347 0.151842 0.416659 O\n0.064426 0.829526 0.337451 O\n0.437151 0.802573 0.329796 O\n0.783320 0.536104 0.169445 O\n0.762279 0.957017 0.118789 O\n0.229873 0.309382 0.071662 O\n",
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"elements": [
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"Sn",
"P",
"C",
"O"
],
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"density": 3.0429718560903667,
"density_atomic": 0.0718299351042016,
"volume": 306.2789903413561,
"volume_molar": 8.383887234846942,
"formula_full": "Li2 Sn2 P2 C2 O14",
"formula_reduced": "LiSnPCO7",
"formula_anonymous": "ABCDE7",
"energy": -160.02472795,
"energy_per_atom": -7.2738512704545455,
"energy_above_hull": null,
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"energy_uncorrected": -150.40672795,
"band_gap": 2.7861,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.859000Z",
"spacegroup": 4
},
{
"id": "mp-1220740",
"created_at": "2022-09-04T14:46:37.656518Z",
"structure_string": "Pr4 B24 Br4 O54\n1.0\n14.782409 0.000000 0.000000\n0.000000 8.180473 0.000000\n0.000000 0.045845 9.923451\nPr B Br O\n4 24 4 54\ndirect\n0.831727 0.599733 0.041715 Pr\n0.668533 0.098430 0.545772 Pr\n0.168533 0.901570 0.454228 Pr\n0.331727 0.400267 0.958285 Pr\n0.745653 0.448740 0.309680 B\n0.755669 0.944256 0.811161 B\n0.255669 0.055744 0.188839 B\n0.245653 0.551260 0.690320 B\n0.056165 0.748987 0.964633 B\n0.446510 0.240867 0.461512 B\n0.946510 0.759133 0.538488 B\n0.556165 0.251013 0.035367 B\n0.807812 0.707829 0.673752 B\n0.695192 0.209330 0.172970 B\n0.195192 0.790670 0.827030 B\n0.307812 0.292171 0.326248 B\n0.806594 0.706448 0.415184 B\n0.695548 0.203159 0.913303 B\n0.195548 0.796841 0.086697 B\n0.306594 0.293552 0.584816 B\n0.741769 0.452147 0.782583 B\n0.757307 0.950490 0.283523 B\n0.257307 0.049510 0.716477 B\n0.241769 0.547853 0.217417 B\n0.801715 0.995197 0.047615 B\n0.698810 0.499931 0.544472 B\n0.198810 0.500069 0.455528 B\n0.301715 0.004803 0.952385 B\n0.525158 0.740508 0.013424 Br\n0.948614 0.218258 0.576493 Br\n0.448614 0.781742 0.423507 Br\n0.025158 0.259492 0.986576 Br\n0.748620 0.362026 0.192711 O\n0.752872 0.858452 0.693662 O\n0.252872 0.141548 0.306338 O\n0.248620 0.637974 0.807289 O\n0.792089 0.887352 0.165593 O\n0.703777 0.395823 0.664674 O\n0.203777 0.604177 0.335326 O\n0.292089 0.112648 0.834407 O\n0.966985 0.571198 0.168252 O\n0.534927 0.021528 0.649561 O\n0.034927 0.978472 0.350439 O\n0.466985 0.428802 0.831748 O\n0.927027 0.357379 0.950869 O\n0.555368 0.854827 0.469842 O\n0.055368 0.145173 0.530158 O\n0.427027 0.642621 0.049131 O\n0.784825 0.883075 0.932968 O\n0.711709 0.388834 0.429972 O\n0.211709 0.611166 0.570028 O\n0.284825 0.116925 0.067032 O\n0.100005 0.793591 0.081454 O\n0.401914 0.277335 0.579975 O\n0.901914 0.722665 0.420025 O\n0.600005 0.206409 0.918546 O\n0.731732 0.128780 0.044804 O\n0.772428 0.626812 0.545621 O\n0.272428 0.373188 0.454379 O\n0.231732 0.871220 0.955196 O\n0.889908 0.065660 0.057846 O\n0.608736 0.568159 0.531847 O\n0.108736 0.431841 0.468153 O\n0.389908 0.934340 0.942154 O\n0.101208 0.753165 0.842923 O\n0.401500 0.252422 0.339995 O\n0.901500 0.747578 0.660005 O\n0.601208 0.246835 0.157077 O\n0.736019 0.370356 0.902889 O\n0.760286 0.869112 0.404093 O\n0.260286 0.130888 0.595907 O\n0.236019 0.629644 0.097111 O\n0.967307 0.699772 0.971749 O\n0.535432 0.191967 0.465391 O\n0.035432 0.808033 0.534609 O\n0.467307 0.300228 0.028251 O\n0.791563 0.593904 0.787805 O\n0.712145 0.097318 0.287823 O\n0.212145 0.902682 0.712177 O\n0.291563 0.406096 0.212195 O\n0.779697 0.604157 0.299778 O\n0.726083 0.103765 0.798580 O\n0.226083 0.896235 0.201420 O\n0.279697 0.395843 0.700222 O\n0.060764 0.285673 0.144737 O\n0.560764 0.714327 0.855263 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Pr",
"B",
"Br",
"O"
],
"chemical_system": "B-Br-O-Pr",
"density": 2.7767735944093555,
"density_atomic": 0.07166582288564385,
"volume": 1200.0141285927741,
"volume_molar": 8.403086042295845,
"formula_full": "Pr4 B24 Br4 O54",
"formula_reduced": "Pr2B12Br2O27",
"formula_anonymous": "A2B2C12D27",
"energy": -651.46231772,
"energy_per_atom": -7.575143229302325,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -614.36431772,
"band_gap": 0.3813,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:39.554000Z",
"spacegroup": 4
},
{
"id": "mp-1177542",
"created_at": "2022-09-04T14:46:37.944507Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.764275 0.000000 0.000000\n0.000000 8.575632 0.000000\n0.000000 0.342030 12.065163\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.512171 0.314875 0.404143 Li\n0.086249 0.329902 0.059646 Li\n0.779484 0.429600 0.572329 Li\n0.279484 0.570400 0.427671 Li\n0.586249 0.670098 0.940354 Li\n0.012171 0.685125 0.595857 Li\n0.985383 0.814408 0.902856 Li\n0.415202 0.830395 0.558766 Li\n0.720963 0.930746 0.072489 Li\n0.220963 0.069254 0.927511 Li\n0.915202 0.169605 0.441234 Li\n0.485383 0.185592 0.097144 Li\n0.036635 0.997537 0.140351 Mn\n0.471204 0.997740 0.355683 Mn\n0.536635 0.002463 0.859649 Mn\n0.971204 0.002260 0.644317 Mn\n0.027970 0.494170 0.854954 V\n0.464853 0.495102 0.641952 V\n0.527970 0.505830 0.145046 V\n0.964853 0.504898 0.358048 V\n0.248124 0.293878 0.260057 P\n0.382094 0.364409 0.904079 P\n0.111209 0.364564 0.603830 P\n0.882094 0.635591 0.095921 P\n0.611209 0.635436 0.396170 P\n0.748124 0.706122 0.739943 P\n0.249352 0.793034 0.759861 P\n0.389732 0.866824 0.100171 P\n0.118876 0.865863 0.397284 P\n0.889732 0.133176 0.899829 P\n0.618876 0.134137 0.602716 P\n0.749352 0.206966 0.240139 P\n0.893423 0.300857 0.855232 O\n0.867953 0.298520 0.306375 O\n0.663788 0.304474 0.150770 O\n0.580210 0.306253 0.563434 O\n0.360420 0.351061 0.168439 O\n0.205330 0.376355 0.920186 O\n0.421066 0.389954 0.781250 O\n0.994092 0.378451 0.504598 O\n0.269197 0.425616 0.562970 O\n0.177162 0.439378 0.315826 O\n0.471398 0.480935 0.974709 O\n0.050041 0.485362 0.688288 O\n0.550041 0.514638 0.311712 O\n0.971398 0.519065 0.025291 O\n0.677162 0.560622 0.684174 O\n0.769197 0.574384 0.437030 O\n0.921066 0.610046 0.218750 O\n0.494092 0.621549 0.495402 O\n0.705330 0.623645 0.079814 O\n0.860420 0.648939 0.831561 O\n0.163788 0.695526 0.849230 O\n0.080210 0.693747 0.436566 O\n0.393423 0.699143 0.144768 O\n0.367953 0.701480 0.693625 O\n0.626362 0.795381 0.803095 O\n0.613959 0.802708 0.350805 O\n0.918011 0.807076 0.057329 O\n0.831702 0.801475 0.647157 O\n0.136267 0.851416 0.665638 O\n0.297639 0.873443 0.415585 O\n0.507750 0.877138 0.999139 O\n0.083210 0.885263 0.273476 O\n0.230256 0.920340 0.058797 O\n0.319961 0.937385 0.814308 O\n0.030258 0.981488 0.467404 O\n0.451041 0.987713 0.182403 O\n0.951041 0.012287 0.817597 O\n0.530258 0.018512 0.532596 O\n0.819961 0.062615 0.185692 O\n0.730256 0.079660 0.941203 O\n0.007750 0.122862 0.000861 O\n0.583210 0.114737 0.726524 O\n0.797639 0.126557 0.584415 O\n0.636267 0.148584 0.334362 O\n0.418011 0.192924 0.942671 O\n0.331702 0.198525 0.352843 O\n0.126362 0.204619 0.196905 O\n0.113959 0.197292 0.649195 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 3.0149955579430694,
"density_atomic": 0.08822154538737516,
"volume": 906.8079645252769,
"volume_molar": 6.82615650582538,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -609.41356353,
"energy_per_atom": -7.617669544125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:42.970000Z",
"spacegroup": 4
},
{
"id": "mp-1215045",
"created_at": "2022-09-04T14:46:38.474299Z",
"structure_string": "Ca4 Al8 Si8 W16 O32\n1.0\n10.429877 0.000000 0.000000\n0.000000 10.302734 0.000000\n0.000000 0.511144 10.764057\nCa Al Si W O\n4 8 8 16 32\ndirect\n0.407628 0.665223 0.953667 Ca\n0.907628 0.334777 0.046333 Ca\n0.574049 0.331488 0.548064 Ca\n0.074049 0.668512 0.451936 Ca\n0.338322 0.418931 0.383859 Al\n0.838322 0.581069 0.616141 Al\n0.125280 0.086911 0.610312 Al\n0.625280 0.913089 0.389688 Al\n0.144443 0.419792 0.883236 Al\n0.644443 0.580208 0.116764 Al\n0.347544 0.085186 0.109546 Al\n0.847544 0.914814 0.890454 Al\n0.105513 0.103652 0.905744 Si\n0.605513 0.896348 0.094256 Si\n0.879234 0.601629 0.911794 Si\n0.379234 0.398371 0.088206 Si\n0.108267 0.404516 0.589116 Si\n0.608267 0.595484 0.410884 Si\n0.365663 0.102330 0.405995 Si\n0.865663 0.897670 0.594005 Si\n0.610667 0.049786 0.698079 W\n0.110667 0.950214 0.301921 W\n0.359501 0.949442 0.807258 W\n0.859501 0.050558 0.192742 W\n0.181461 0.825849 0.044684 W\n0.681461 0.174151 0.955316 W\n0.047344 0.241100 0.291412 W\n0.547344 0.758900 0.708588 W\n0.420765 0.244485 0.791462 W\n0.920765 0.755515 0.208538 W\n0.624076 0.452122 0.813873 W\n0.124076 0.547878 0.186127 W\n0.802257 0.172150 0.447717 W\n0.302257 0.827850 0.552283 W\n0.374260 0.541647 0.691743 W\n0.874260 0.458353 0.308257 W\n0.008617 0.511350 0.926159 O\n0.508617 0.488650 0.073841 O\n0.205822 0.051891 0.018167 O\n0.705822 0.948109 0.981833 O\n0.969023 0.027627 0.915437 O\n0.469023 0.972373 0.084563 O\n0.175910 0.445890 0.721692 O\n0.675910 0.554110 0.278308 O\n0.497924 0.020308 0.413002 O\n0.997924 0.979692 0.586998 O\n0.085528 0.250398 0.582424 O\n0.585528 0.749602 0.417576 O\n0.174322 0.068612 0.771747 O\n0.674322 0.931388 0.228253 O\n0.292740 0.078228 0.270507 O\n0.792740 0.921772 0.729493 O\n0.391401 0.258038 0.422042 O\n0.891401 0.741962 0.577958 O\n0.282924 0.452892 0.974018 O\n0.782924 0.547108 0.025982 O\n0.477911 0.505966 0.425142 O\n0.977911 0.494034 0.574858 O\n0.401306 0.244659 0.081558 O\n0.901306 0.755341 0.918442 O\n0.311308 0.438518 0.220797 O\n0.811308 0.561482 0.779203 O\n0.262688 0.047372 0.515021 O\n0.762688 0.952628 0.484979 O\n0.205394 0.462386 0.477447 O\n0.705394 0.537614 0.522553 O\n0.084808 0.260532 0.917317 O\n0.584808 0.739468 0.082683 O\n",
"nsites": 68,
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"elements": [
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"Al",
"Si",
"W",
"O"
],
"chemical_system": "Al-Ca-O-Si-W",
"density": 5.820415745971898,
"density_atomic": 0.05878970079020375,
"volume": 1156.6651826084983,
"volume_molar": 10.243530208616885,
"formula_full": "Ca4 Al8 Si8 W16 O32",
"formula_reduced": "CaAl2Si2(WO2)4",
"formula_anonymous": "AB2C2D4E8",
"energy": -539.56164304,
"energy_per_atom": -7.934730044705883,
"energy_above_hull": null,
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"band_gap": 0.0527999999999995,
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"updated_at": "2021-11-28T01:37:46.730000Z",
"spacegroup": 4
},
{
"id": "mp-774358",
"created_at": "2022-09-04T14:46:38.906629Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.312385 0.000000 0.000000\n0.000000 7.154445 0.000000\n0.000000 3.463894 9.095329\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.639642 0.673300 0.502739 Li\n0.139642 0.326700 0.497261 Li\n0.640029 0.674301 0.000138 Li\n0.140029 0.325699 0.999862 Li\n0.001841 0.729226 0.990845 Mn\n0.501841 0.270774 0.009155 Mn\n0.999971 0.727841 0.493579 V\n0.499971 0.272159 0.506421 V\n0.216665 0.913916 0.687159 P\n0.320291 0.522151 0.690090 P\n0.820291 0.477849 0.309910 P\n0.212769 0.909713 0.186341 P\n0.716665 0.086084 0.312841 P\n0.320861 0.517670 0.190012 P\n0.820861 0.482330 0.809988 P\n0.712769 0.090287 0.813659 P\n0.347395 0.753254 0.672003 O\n0.067730 0.916004 0.593789 O\n0.826451 0.603750 0.644058 O\n0.157430 0.507274 0.620415 O\n0.460944 0.483926 0.601643 O\n0.672147 0.154220 0.650412 O\n0.304375 0.114074 0.624521 O\n0.804375 0.885926 0.375479 O\n0.172147 0.845780 0.349588 O\n0.960944 0.516074 0.398357 O\n0.657430 0.492726 0.379585 O\n0.326451 0.396250 0.355942 O\n0.567730 0.083996 0.406211 O\n0.847395 0.246746 0.327997 O\n0.344669 0.749821 0.171446 O\n0.062273 0.907334 0.093533 O\n0.822255 0.605972 0.145889 O\n0.159291 0.494368 0.125981 O\n0.465486 0.478494 0.104536 O\n0.676846 0.141705 0.150127 O\n0.295059 0.111250 0.129331 O\n0.795059 0.888750 0.870669 O\n0.176846 0.858295 0.849873 O\n0.965486 0.521506 0.895464 O\n0.659291 0.505632 0.874019 O\n0.322255 0.394028 0.854111 O\n0.562273 0.092666 0.906467 O\n0.844669 0.250179 0.828554 O\n",
"nsites": 44,
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],
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"volume_molar": 7.403178798752574,
"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
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"energy": -342.69079292,
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},
{
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"spacegroup": 4
}
]
}