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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12164",
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"results": [
{
"id": "mp-1194529",
"created_at": "2022-09-04T14:44:14.026506Z",
"structure_string": "Sn4 Hg8 S8 Br8\n1.0\n10.642538 0.000000 0.000000\n0.000000 11.154487 0.000000\n0.000000 5.644075 11.846542\nSn Hg S Br\n4 8 8 8\ndirect\n0.684666 0.227684 0.532030 Sn\n0.815334 0.227684 0.032030 Sn\n0.315334 0.772316 0.467970 Sn\n0.184666 0.772316 0.967970 Sn\n0.606077 0.231359 0.826674 Hg\n0.893923 0.231359 0.326674 Hg\n0.393923 0.768641 0.173326 Hg\n0.106077 0.768641 0.673326 Hg\n0.826702 0.490409 0.628649 Hg\n0.673298 0.490409 0.128649 Hg\n0.173298 0.509591 0.371351 Hg\n0.326702 0.509591 0.871351 Hg\n0.591401 0.112576 0.714708 S\n0.908599 0.112576 0.214708 S\n0.408599 0.887424 0.285292 S\n0.091401 0.887424 0.785292 S\n0.605111 0.311735 0.969391 S\n0.894889 0.311735 0.469391 S\n0.394889 0.688265 0.030609 S\n0.105111 0.688265 0.530609 S\n0.531970 0.402715 0.408626 Br\n0.968030 0.402715 0.908626 Br\n0.468030 0.597285 0.591374 Br\n0.031970 0.597285 0.091374 Br\n0.670769 0.037133 0.475764 Br\n0.829231 0.037133 0.975764 Br\n0.329231 0.962867 0.524236 Br\n0.170769 0.962867 0.024236 Br\n",
"nsites": 28,
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"elements": [
"Sn",
"Hg",
"S",
"Br"
],
"chemical_system": "Br-Hg-S-Sn",
"density": 3.513137934614512,
"density_atomic": 0.019910016578024593,
"volume": 1406.3273071758572,
"volume_molar": 30.246789280159895,
"formula_full": "Sn4 Hg8 S8 Br8",
"formula_reduced": "SnHg2(SBr)2",
"formula_anonymous": "AB2C2D2",
"energy": -81.07773907,
"energy_per_atom": -2.895633538214286,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -72.78173907,
"band_gap": 2.1758,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.634000Z",
"spacegroup": 14
},
{
"id": "mp-1209618",
"created_at": "2022-09-04T14:44:14.030084Z",
"structure_string": "Pr6 Co16 Sn8\n1.0\n0.000000 0.000000 -7.655757\n-4.519227 -7.827529 0.000000\n-4.519227 7.827529 0.000000\nPr Co Sn\n6 16 8\ndirect\n0.782848 0.474876 0.949751 Pr\n0.782848 0.474876 0.525124 Pr\n0.282848 0.525124 0.050249 Pr\n0.782848 0.050249 0.525124 Pr\n0.282848 0.525124 0.474876 Pr\n0.282848 0.949751 0.474876 Pr\n0.613540 0.666667 0.333333 Co\n0.113540 0.333333 0.666667 Co\n0.756787 0.094023 0.188045 Co\n0.756787 0.094023 0.905977 Co\n0.256787 0.905977 0.811955 Co\n0.756787 0.811955 0.905977 Co\n0.256787 0.905977 0.094023 Co\n0.256787 0.188045 0.094023 Co\n0.947943 0.845619 0.691239 Co\n0.947943 0.845619 0.154381 Co\n0.447943 0.154381 0.308761 Co\n0.947943 0.308761 0.154381 Co\n0.447943 0.154381 0.845619 Co\n0.447943 0.691239 0.845619 Co\n0.003541 0.000000 0.000000 Co\n0.503541 0.000000 0.000000 Co\n0.963009 0.666667 0.333333 Sn\n0.463009 0.333333 0.666667 Sn\n0.574092 0.830315 0.660630 Sn\n0.574092 0.830315 0.169685 Sn\n0.074092 0.169685 0.339370 Sn\n0.574092 0.339370 0.169685 Sn\n0.074092 0.169685 0.830315 Sn\n0.074092 0.660630 0.830315 Sn\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Sn"
],
"chemical_system": "Co-Pr-Sn",
"density": 8.394302354765427,
"density_atomic": 0.055387820645020513,
"volume": 541.6353207371965,
"volume_molar": 10.872680473557148,
"formula_full": "Pr6 Co16 Sn8",
"formula_reduced": "Pr3(Co2Sn)4",
"formula_anonymous": "A3B4C8",
"energy": -182.55597711,
"energy_per_atom": -6.085199236999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.55597711,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.1379663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.789000Z",
"spacegroup": 186
},
{
"id": "mp-705528",
"created_at": "2022-09-04T14:44:14.035209Z",
"structure_string": "Na4 Ca4 B20 H32 O52\n1.0\n13.410082 0.000000 0.000000\n0.000000 6.550402 0.000000\n0.000000 0.654775 11.624110\nNa Ca B H O\n4 4 20 32 52\ndirect\n0.482976 0.662025 0.854865 Na\n0.982976 0.337975 0.645135 Na\n0.517024 0.337975 0.145135 Na\n0.017024 0.662025 0.354865 Na\n0.395791 0.789148 0.580830 Ca\n0.895791 0.210852 0.919170 Ca\n0.604209 0.210852 0.419170 Ca\n0.104209 0.789148 0.080830 Ca\n0.541151 0.377559 0.682525 B\n0.041151 0.622441 0.817475 B\n0.458849 0.622441 0.317475 B\n0.958849 0.377559 0.182525 B\n0.627422 0.685608 0.577139 B\n0.127422 0.314392 0.922861 B\n0.372578 0.314392 0.422861 B\n0.872578 0.685608 0.077139 B\n0.243934 0.160322 0.784555 B\n0.743934 0.839678 0.715445 B\n0.756066 0.839678 0.215445 B\n0.256066 0.160322 0.284555 B\n0.432762 0.119849 0.780633 B\n0.932762 0.880151 0.719367 B\n0.567238 0.880151 0.219367 B\n0.067238 0.119849 0.280633 B\n0.582567 0.015513 0.659154 B\n0.082567 0.984487 0.840846 B\n0.417433 0.984487 0.340846 B\n0.917433 0.015513 0.159154 B\n0.267177 0.770524 0.783931 H\n0.767177 0.229476 0.716069 H\n0.732823 0.229476 0.216069 H\n0.232823 0.770524 0.283931 H\n0.288410 0.533657 0.795678 H\n0.788410 0.466343 0.704322 H\n0.711590 0.466343 0.204322 H\n0.211590 0.533657 0.295678 H\n0.349228 0.325121 0.594607 H\n0.849228 0.674879 0.905393 H\n0.650772 0.674879 0.405393 H\n0.150772 0.325121 0.094607 H\n0.190964 0.910400 0.628139 H\n0.690964 0.089600 0.871861 H\n0.809036 0.089600 0.371861 H\n0.309036 0.910400 0.128139 H\n0.181265 0.920948 0.492371 H\n0.681265 0.079052 0.007629 H\n0.818735 0.079052 0.507629 H\n0.318735 0.920948 0.992371 H\n0.461444 0.109466 0.953512 H\n0.961444 0.890534 0.546488 H\n0.538556 0.890534 0.046488 H\n0.038556 0.109466 0.453512 H\n0.348976 0.577589 0.051213 H\n0.848976 0.422411 0.448787 H\n0.651024 0.422411 0.948787 H\n0.151024 0.577589 0.551213 H\n0.327791 0.378351 0.987771 H\n0.827791 0.621649 0.512229 H\n0.672209 0.621649 0.012229 H\n0.172209 0.378351 0.487771 H\n0.592127 0.896617 0.556164 O\n0.092127 0.103383 0.943836 O\n0.407873 0.103383 0.443836 O\n0.907873 0.896617 0.056164 O\n0.332375 0.139218 0.725683 O\n0.832375 0.860782 0.774317 O\n0.667625 0.860782 0.274317 O\n0.167625 0.139218 0.225683 O\n0.552272 0.582783 0.656100 O\n0.052272 0.417217 0.843900 O\n0.447728 0.417217 0.343900 O\n0.947728 0.582783 0.156100 O\n0.727952 0.688805 0.639331 O\n0.227952 0.311195 0.860669 O\n0.272048 0.311195 0.360669 O\n0.772048 0.688805 0.139331 O\n0.588178 0.235137 0.619026 O\n0.088178 0.764863 0.880974 O\n0.411822 0.764863 0.380974 O\n0.911822 0.235137 0.119026 O\n0.482686 0.320829 0.776418 O\n0.982686 0.679171 0.723582 O\n0.517314 0.679171 0.223582 O\n0.017314 0.320829 0.276418 O\n0.317658 0.667209 0.767633 O\n0.817658 0.332791 0.732367 O\n0.682342 0.332791 0.232367 O\n0.182342 0.667209 0.267633 O\n0.362581 0.423069 0.528605 O\n0.862581 0.576931 0.971395 O\n0.637419 0.576931 0.471395 O\n0.137419 0.423069 0.028605 O\n0.488525 0.970448 0.717622 O\n0.988525 0.029552 0.782378 O\n0.511475 0.029552 0.282378 O\n0.011475 0.970448 0.217622 O\n0.213211 0.842460 0.557975 O\n0.713211 0.157540 0.942025 O\n0.786789 0.157540 0.442025 O\n0.286789 0.842460 0.057975 O\n0.581404 0.963333 0.097245 O\n0.081404 0.036667 0.402755 O\n0.418596 0.036667 0.902755 O\n0.918596 0.963333 0.597245 O\n0.329598 0.020348 0.261920 O\n0.829598 0.979652 0.238080 O\n0.670402 0.979652 0.738080 O\n0.170402 0.020348 0.761920 O\n0.381174 0.451380 0.026788 O\n0.881174 0.548620 0.473212 O\n0.618826 0.548620 0.973212 O\n0.118826 0.451380 0.526788 O\n",
"nsites": 112,
"nelements": 5,
"elements": [
"Na",
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-Na-O",
"density": 2.167339495878352,
"density_atomic": 0.10968795117742439,
"volume": 1021.0784210823283,
"volume_molar": 5.490248195318155,
"formula_full": "Na4 Ca4 B20 H32 O52",
"formula_reduced": "NaCaB5H8O13",
"formula_anonymous": "ABC5D8E13",
"energy": -761.47327053,
"energy_per_atom": -6.7988684868750004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -725.74927053,
"band_gap": 4.884399999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.828000Z",
"spacegroup": 14
},
{
"id": "mp-758065",
"created_at": "2022-09-04T14:44:14.036745Z",
"structure_string": "Li2 V2 P4 O14\n1.0\n5.261302 -0.000161 0.030951\n-0.000269 8.779364 0.000074\n-2.426913 0.000128 6.489576\nLi V P O\n2 2 4 14\ndirect\n0.151557 0.471394 0.756477 Li\n0.848425 0.971388 0.243519 Li\n0.210569 0.849574 0.670110 V\n0.789439 0.349862 0.329851 V\n0.374027 0.196099 0.546510 P\n0.203088 0.780405 0.040553 P\n0.796920 0.280402 0.959463 P\n0.625967 0.696109 0.453487 P\n0.011425 0.313527 0.871278 O\n0.136158 0.672765 0.853384 O\n0.230896 0.041945 0.513547 O\n0.175798 0.333639 0.506587 O\n0.434695 0.710054 0.576394 O\n0.685012 0.422202 0.045733 O\n0.540621 0.200965 0.786904 O\n0.459372 0.700999 0.213107 O\n0.314986 0.922171 0.954209 O\n0.565319 0.210114 0.423595 O\n0.824197 0.833658 0.493449 O\n0.769122 0.541950 0.486481 O\n0.863836 0.172808 0.146652 O\n0.988571 0.813548 0.128711 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.562795218281535,
"density_atomic": 0.07323112072177,
"volume": 300.41872612581614,
"volume_molar": 8.223472071225247,
"formula_full": "Li2 V2 P4 O14",
"formula_reduced": "LiVP2O7",
"formula_anonymous": "ABC2D7",
"energy": -171.17557494,
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"energy_uncorrected": -158.15757494,
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"updated_at": "2021-11-28T01:36:35.207000Z",
"spacegroup": 4
},
{
"id": "mp-600428",
"created_at": "2022-09-04T14:44:14.083910Z",
"structure_string": "Mn12 Sn8\n1.0\n5.414552 0.000000 0.000000\n0.000000 7.479317 0.000000\n0.000000 0.000000 8.445462\nMn Sn\n12 8\ndirect\n0.507531 0.268441 0.128436 Mn\n0.750000 0.593072 0.118756 Mn\n0.250000 0.906928 0.618756 Mn\n0.250000 0.406928 0.881244 Mn\n0.992469 0.768441 0.371564 Mn\n0.492469 0.231559 0.628436 Mn\n0.507531 0.768441 0.371564 Mn\n0.007531 0.731559 0.871564 Mn\n0.750000 0.093072 0.381244 Mn\n0.007531 0.231559 0.628436 Mn\n0.992469 0.268441 0.128436 Mn\n0.492469 0.731559 0.871564 Mn\n0.250000 0.100604 0.356637 Sn\n0.250000 0.600604 0.143363 Sn\n0.750000 0.399396 0.856637 Sn\n0.750000 0.942332 0.094055 Sn\n0.750000 0.442332 0.405945 Sn\n0.750000 0.899396 0.643363 Sn\n0.250000 0.557668 0.594055 Sn\n0.250000 0.057668 0.905945 Sn\n",
"nsites": 20,
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"elements": [
"Mn",
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],
"chemical_system": "Mn-Sn",
"density": 7.811602409725497,
"density_atomic": 0.05847660006376514,
"volume": 342.0171483668891,
"volume_molar": 10.298377048996052,
"formula_full": "Mn12 Sn8",
"formula_reduced": "Mn3Sn2",
"formula_anonymous": "A2B3",
"energy": -140.57831931,
"energy_per_atom": -7.0289159655,
"energy_above_hull": null,
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"energy_uncorrected": -140.57831931,
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"updated_at": "2021-11-28T01:36:29.385000Z",
"spacegroup": 62
},
{
"id": "mp-21138",
"created_at": "2022-09-04T14:44:14.086085Z",
"structure_string": "Mo2 Pb4 O10\n1.0\n2.965939 7.193647 0.000000\n-2.965939 7.193647 0.000000\n0.000000 2.837896 6.942436\nMo Pb O\n2 4 10\ndirect\n0.170324 0.170324 0.340753 Mo\n0.829676 0.829676 0.659247 Mo\n0.490914 0.490914 0.248858 Pb\n0.509086 0.509086 0.751142 Pb\n0.864834 0.864834 0.112081 Pb\n0.135166 0.135166 0.887919 Pb\n0.253196 0.746804 0.000000 O\n0.746804 0.253196 0.000000 O\n0.300982 0.300982 0.306182 O\n0.699018 0.699018 0.693818 O\n0.096013 0.612505 0.778526 O\n0.387495 0.903987 0.221474 O\n0.092653 0.092653 0.596512 O\n0.907347 0.907347 0.403488 O\n0.612505 0.096013 0.778526 O\n0.903987 0.387495 0.221474 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mo",
"Pb",
"O"
],
"chemical_system": "Mo-O-Pb",
"density": 6.617986534255538,
"density_atomic": 0.05400907816497256,
"volume": 296.24649306413744,
"volume_molar": 11.150238005553744,
"formula_full": "Mo2 Pb4 O10",
"formula_reduced": "MoPb2O5",
"formula_anonymous": "AB2C5",
"energy": -115.31743831,
"energy_per_atom": -7.207339894375,
"energy_above_hull": null,
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"band_gap": 2.9278,
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"updated_at": "2021-11-28T01:36:35.165000Z",
"spacegroup": 12
},
{
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