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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=3",
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"results": [
{
"id": "mp-758212",
"created_at": "2022-09-04T14:46:06.307144Z",
"structure_string": "Li8 Co8 Si12 O36\n1.0\n7.230808 0.000000 0.000000\n0.000000 10.568428 0.000000\n0.000000 4.254536 11.422086\nLi Co Si O\n8 8 12 36\ndirect\n0.037490 0.947786 0.632486 Li\n0.462510 0.947786 0.132486 Li\n0.935806 0.542963 0.658998 Li\n0.435806 0.457037 0.841002 Li\n0.564194 0.542963 0.158998 Li\n0.064194 0.457037 0.341002 Li\n0.537490 0.052214 0.867514 Li\n0.962510 0.052214 0.367514 Li\n0.103563 0.944415 0.924214 Co\n0.396437 0.944415 0.424214 Co\n0.366607 0.565236 0.560473 Co\n0.866607 0.434764 0.939527 Co\n0.133393 0.565236 0.060473 Co\n0.633393 0.434764 0.439527 Co\n0.603563 0.055585 0.575786 Co\n0.896437 0.055585 0.075786 Co\n0.453244 0.770854 0.937753 Si\n0.847050 0.760331 0.855016 Si\n0.525997 0.742477 0.702985 Si\n0.046756 0.770854 0.437753 Si\n0.652950 0.760331 0.355016 Si\n0.974003 0.742477 0.202985 Si\n0.025997 0.257523 0.797015 Si\n0.347050 0.239669 0.644984 Si\n0.953244 0.229146 0.562247 Si\n0.474003 0.257523 0.297015 Si\n0.152950 0.239669 0.144984 Si\n0.546756 0.229146 0.062247 Si\n0.368796 0.905271 0.956723 O\n0.988254 0.886755 0.803880 O\n0.505031 0.874335 0.585393 O\n0.680459 0.794798 0.934355 O\n0.131204 0.905271 0.456723 O\n0.400464 0.763823 0.808520 O\n0.748058 0.732354 0.742694 O\n0.511746 0.886755 0.303880 O\n0.392694 0.629330 0.038959 O\n0.994969 0.874335 0.085393 O\n0.945402 0.619736 0.932959 O\n0.819541 0.794798 0.434355 O\n0.099536 0.763823 0.308520 O\n0.467651 0.597664 0.695474 O\n0.751942 0.732354 0.242694 O\n0.107306 0.629330 0.538959 O\n0.554598 0.619736 0.432959 O\n0.032349 0.597664 0.195474 O\n0.967651 0.402336 0.804526 O\n0.445402 0.380264 0.567041 O\n0.892694 0.370670 0.461041 O\n0.248058 0.267646 0.757306 O\n0.532349 0.402336 0.304526 O\n0.900464 0.236177 0.691480 O\n0.180459 0.205202 0.565645 O\n0.054598 0.380264 0.067041 O\n0.005031 0.125665 0.914607 O\n0.607306 0.370670 0.961041 O\n0.488254 0.113245 0.696120 O\n0.251942 0.267646 0.257306 O\n0.599536 0.236177 0.191480 O\n0.868796 0.094729 0.543277 O\n0.319541 0.205202 0.065645 O\n0.494969 0.125665 0.414607 O\n0.011746 0.113245 0.196120 O\n0.631204 0.094729 0.043277 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.739481208224608,
"density_atomic": 0.07332251032246588,
"volume": 872.8560945135906,
"volume_molar": 8.213222288101102,
"formula_full": "Li8 Co8 Si12 O36",
"formula_reduced": "Li2Co2(SiO3)3",
"formula_anonymous": "A2B2C3D9",
"energy": -480.09751479,
"energy_per_atom": -7.50152366859375,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -442.26151479,
"band_gap": 0.4794,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.015000Z",
"spacegroup": 14
},
{
"id": "mp-961649",
"created_at": "2022-09-04T14:46:06.313552Z",
"structure_string": "Zr1 Fe1 Te1\n1.0\n0.000000 3.061458 3.061458\n3.061458 0.000000 3.061458\n3.061458 3.061458 0.000000\nZr Fe Te\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
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"elements": [
"Zr",
"Fe",
"Te"
],
"chemical_system": "Fe-Te-Zr",
"density": 7.947743287241926,
"density_atomic": 0.05227648058207103,
"volume": 57.38718380802577,
"volume_molar": 11.519789957064132,
"formula_full": "Zr1 Fe1 Te1",
"formula_reduced": "ZrFeTe",
"formula_anonymous": "ABC",
"energy": -22.17862045,
"energy_per_atom": -7.392873483333333,
"energy_above_hull": null,
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"energy_uncorrected": -21.75662045,
"band_gap": 1.155800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.287000Z",
"spacegroup": 216
},
{
"id": "mp-1247570",
"created_at": "2022-09-04T14:46:06.327389Z",
"structure_string": "Sr4 Ca28 Ti8 Mn24 O84\n1.0\n11.101411 -0.049670 -0.112334\n-0.067697 15.635276 -0.034148\n-0.109354 -0.022672 11.088522\nSr Ca Ti Mn O\n4 28 8 24 84\ndirect\n0.979106 0.120867 0.529038 Sr\n0.510441 0.385106 0.988317 Sr\n0.241199 0.387827 0.225311 Sr\n0.228908 0.124142 0.218700 Sr\n0.979330 0.115925 0.015651 Ca\n0.993593 0.622549 0.510872 Ca\n0.014716 0.619380 0.003029 Ca\n0.536561 0.117008 0.480475 Ca\n0.540759 0.119497 0.985725 Ca\n0.533487 0.629471 0.512451 Ca\n0.533156 0.623682 0.971762 Ca\n0.495500 0.380673 0.523409 Ca\n0.521677 0.854336 0.976577 Ca\n0.498902 0.861085 0.496380 Ca\n0.968090 0.394702 0.006355 Ca\n0.954556 0.388537 0.508695 Ca\n0.956601 0.870416 0.994791 Ca\n0.965156 0.865245 0.511607 Ca\n0.239237 0.406651 0.754976 Ca\n0.236594 0.879276 0.276874 Ca\n0.228798 0.856213 0.732214 Ca\n0.761297 0.394647 0.257319 Ca\n0.733716 0.388219 0.761684 Ca\n0.743911 0.858296 0.247324 Ca\n0.721591 0.864842 0.738571 Ca\n0.227659 0.113816 0.735122 Ca\n0.234093 0.621723 0.266583 Ca\n0.268094 0.627397 0.735335 Ca\n0.761165 0.114202 0.242754 Ca\n0.769548 0.126502 0.755395 Ca\n0.780502 0.622493 0.260264 Ca\n0.772854 0.624507 0.758534 Ca\n0.987479 0.992674 0.258750 Ti\n0.988791 0.990924 0.759624 Ti\n0.248788 0.979738 0.013289 Ti\n0.239990 0.997557 0.512684 Ti\n0.264383 0.239268 0.931936 Ti\n0.255983 0.244597 0.447757 Ti\n0.972574 0.253211 0.273505 Ti\n0.998033 0.260324 0.784741 Ti\n0.005453 0.501207 0.251894 Mn\n0.998097 0.501993 0.756410 Mn\n0.499811 0.986873 0.215798 Mn\n0.501310 0.996364 0.722212 Mn\n0.508775 0.492404 0.247196 Mn\n0.497281 0.503232 0.748623 Mn\n0.255079 0.521558 0.004104 Mn\n0.230623 0.495715 0.509588 Mn\n0.744478 0.994952 0.986681 Mn\n0.740973 0.994798 0.487699 Mn\n0.753425 0.505200 0.004986 Mn\n0.742545 0.501281 0.508495 Mn\n0.261256 0.748089 0.981756 Mn\n0.248949 0.742999 0.496063 Mn\n0.749881 0.250628 0.009367 Mn\n0.736910 0.248154 0.503314 Mn\n0.756406 0.744801 0.999124 Mn\n0.751999 0.746438 0.504297 Mn\n0.001719 0.751422 0.265004 Mn\n0.001442 0.747050 0.750094 Mn\n0.514170 0.258862 0.264111 Mn\n0.512908 0.248456 0.752297 Mn\n0.505019 0.752365 0.264022 Mn\n0.500262 0.745396 0.745518 Mn\n0.105508 0.772023 0.597347 O\n0.562781 0.248017 0.104304 O\n0.577766 0.248851 0.586747 O\n0.592767 0.760450 0.117228 O\n0.606073 0.763629 0.601695 O\n0.388043 0.197844 0.367485 O\n0.393526 0.182885 0.859569 O\n0.397453 0.706470 0.380815 O\n0.407170 0.730236 0.891362 O\n0.902515 0.244894 0.417831 O\n0.932945 0.245395 0.930520 O\n0.892540 0.732097 0.407042 O\n0.904316 0.731321 0.898597 O\n0.152989 0.252490 0.315496 O\n0.179601 0.258614 0.788222 O\n0.162932 0.749846 0.337361 O\n0.150332 0.737312 0.844463 O\n0.645260 0.212175 0.344753 O\n0.661776 0.234175 0.856875 O\n0.652234 0.725917 0.355924 O\n0.644810 0.731547 0.855152 O\n0.351768 0.754206 0.637726 O\n0.840319 0.261989 0.167652 O\n0.878653 0.263351 0.666976 O\n0.875134 0.772575 0.143671 O\n0.853972 0.774206 0.646976 O\n0.366196 0.517216 0.157954 O\n0.354595 0.495113 0.630873 O\n0.372137 0.041189 0.095664 O\n0.369716 0.045231 0.605421 O\n0.866799 0.491204 0.146148 O\n0.853074 0.477252 0.648151 O\n0.863769 0.975938 0.152819 O\n0.864370 0.982549 0.654185 O\n0.176890 0.015066 0.359176 O\n0.212005 0.993563 0.854603 O\n0.152453 0.498297 0.352685 O\n0.153941 0.527076 0.857868 O\n0.623341 0.021641 0.336378 O\n0.629724 0.034598 0.835490 O\n0.622807 0.526744 0.367495 O\n0.642682 0.513279 0.862990 O\n0.394200 0.516828 0.896375 O\n0.894164 0.011331 0.393943 O\n0.902107 0.005006 0.903174 O\n0.881069 0.510501 0.397203 O\n0.893470 0.518621 0.898549 O\n0.114925 0.483105 0.098250 O\n0.095205 0.471132 0.617993 O\n0.115497 0.984945 0.110539 O\n0.114567 0.987253 0.615918 O\n0.621878 0.486698 0.119683 O\n0.605813 0.485370 0.613343 O\n0.602649 0.980137 0.075839 O\n0.600580 0.979683 0.578776 O\n0.993787 0.372184 0.271232 O\n0.016397 0.378487 0.803850 O\n0.018350 0.877528 0.293670 O\n0.019063 0.875876 0.789924 O\n0.463143 0.377571 0.302187 O\n0.484900 0.376005 0.762386 O\n0.449999 0.871468 0.279132 O\n0.495593 0.871742 0.768651 O\n0.494413 0.623789 0.718160 O\n0.993960 0.127633 0.230438 O\n0.012176 0.120921 0.757433 O\n0.007425 0.629624 0.228794 O\n0.986357 0.625125 0.715384 O\n0.177837 0.163645 0.014397 O\n0.193216 0.163875 0.542612 O\n0.219687 0.648073 0.065548 O\n0.214450 0.617167 0.517549 O\n0.756882 0.122566 0.031450 O\n0.747277 0.123674 0.540201 O\n0.742873 0.625936 0.042101 O\n0.750267 0.625289 0.546012 O\n0.276562 0.352427 0.508115 O\n0.293002 0.338595 0.010165 O\n0.288751 0.888906 0.489218 O\n0.298818 0.869725 0.032787 O\n0.736651 0.371903 0.470068 O\n0.754438 0.376616 0.977782 O\n0.751467 0.870825 0.458014 O\n0.748569 0.870576 0.956052 O\n",
"nsites": 148,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.898501707868287,
"density_atomic": 0.07690562307133553,
"volume": 1924.4366548167654,
"volume_molar": 7.830559742574388,
"formula_full": "Sr4 Ca28 Ti8 Mn24 O84",
"formula_reduced": "SrCa7Ti2Mn6O21",
"formula_anonymous": "AB2C6D7E21",
"energy": -1174.63792823,
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"updated_at": "2021-11-28T01:37:19.481000Z",
"spacegroup": 1
},
{
"id": "mp-583454",
"created_at": "2022-09-04T14:46:06.277892Z",
"structure_string": "Nb4 Bi4 Pb2 O18\n1.0\n2.828764 -12.683842 0.000000\n2.828764 12.683842 0.000000\n0.000000 0.000000 5.700476\nNb Bi Pb O\n4 4 2 18\ndirect\n0.836416 0.666449 0.231949 Nb\n0.666449 0.836416 0.231949 Nb\n0.333551 0.163584 0.731949 Nb\n0.163584 0.333551 0.731949 Nb\n0.083863 0.485267 0.310899 Bi\n0.514733 0.916137 0.810899 Bi\n0.916137 0.514733 0.810899 Bi\n0.485267 0.083863 0.310899 Bi\n0.754410 0.754410 0.754483 Pb\n0.245590 0.245590 0.254483 Pb\n0.836368 0.521114 0.191891 O\n0.454480 0.594255 0.471932 O\n0.880783 0.056544 0.921441 O\n0.163632 0.478886 0.691891 O\n0.769086 0.266041 0.520470 O\n0.200569 0.200569 0.684351 O\n0.478886 0.163632 0.691891 O\n0.943456 0.119217 0.421441 O\n0.594255 0.454480 0.471932 O\n0.230914 0.733959 0.020470 O\n0.056544 0.880783 0.921441 O\n0.733959 0.230914 0.020470 O\n0.521114 0.836368 0.191891 O\n0.266041 0.769086 0.520470 O\n0.119217 0.943456 0.421441 O\n0.545520 0.405745 0.971932 O\n0.799431 0.799431 0.184351 O\n0.405745 0.545520 0.971932 O\n",
"nsites": 28,
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"elements": [
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"Pb",
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],
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"density": 7.753170379628871,
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"volume": 409.0615475717242,
"volume_molar": 8.79795078207271,
"formula_full": "Nb4 Bi4 Pb2 O18",
"formula_reduced": "Nb2Bi2PbO9",
"formula_anonymous": "AB2C2D9",
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"updated_at": "2021-11-28T01:37:22.564000Z",
"spacegroup": 36
},
{
"id": "mp-754793",
"created_at": "2022-09-04T14:46:06.281298Z",
"structure_string": "Li2 Co2 P2 H2 O10\n1.0\n5.078783 0.000000 0.000000\n-0.769099 5.229809 0.000000\n-2.267752 -2.406523 6.216439\nLi Co P H O\n2 2 2 2 10\ndirect\n0.744240 0.394317 0.822162 Li\n0.255760 0.605683 0.177838 Li\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.678144 0.352435 0.235213 P\n0.321856 0.647565 0.764787 P\n0.346106 0.070032 0.345596 H\n0.653894 0.929968 0.654404 H\n0.854952 0.048362 0.727037 O\n0.723753 0.197903 0.393698 O\n0.302449 0.339764 0.657123 O\n0.363237 0.242906 0.066579 O\n0.890867 0.330082 0.116485 O\n0.109133 0.669918 0.883515 O\n0.636763 0.757094 0.933421 O\n0.697551 0.660236 0.342877 O\n0.276247 0.802097 0.606302 O\n0.145048 0.951638 0.272963 O\n",
"nsites": 18,
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"elements": [
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"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-Li-O-P",
"density": 3.5772795107575064,
"density_atomic": 0.10901477012871685,
"volume": 165.11524061140418,
"volume_molar": 5.524151225461914,
"formula_full": "Li2 Co2 P2 H2 O10",
"formula_reduced": "LiCoPHO5",
"formula_anonymous": "ABCDE5",
"energy": -122.34779133,
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"total_magnetization": 1.52e-05,
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"updated_at": "2021-11-28T01:37:25.758000Z",
"spacegroup": 2
},
{
"id": "mp-1185466",
"created_at": "2022-09-04T14:46:06.284564Z",
"structure_string": "Li1 Th1 Pt2\n1.0\n0.000000 3.428509 3.428509\n3.428509 0.000000 3.428509\n3.428509 3.428509 0.000000\nLi Th Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.961503806993838,
"density_atomic": 0.049626553393711956,
"volume": 80.60201094897775,
"volume_molar": 12.134916386845129,
"formula_full": "Li1 Th1 Pt2",
"formula_reduced": "LiThPt2",
"formula_anonymous": "ABC2",
"energy": -25.12765758,
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"updated_at": "2021-11-28T01:37:24.503000Z",
"spacegroup": 225
},
{
"id": "mp-1177859",
"created_at": "2022-09-04T14:46:06.285052Z",
"structure_string": "Li4 Si2 Ni2 O8\n1.0\n5.218250 -0.058106 -0.033884\n-0.106056 5.213868 -0.028832\n0.015833 0.022146 6.443630\nLi Si Ni O\n4 2 2 8\ndirect\n0.187877 0.186718 0.752045 Li\n0.313430 0.686641 0.500334 Li\n0.685704 0.313922 0.999636 Li\n0.813901 0.811735 0.247872 Li\n0.176008 0.177418 0.251441 Si\n0.823232 0.823322 0.748461 Si\n0.316778 0.684138 0.000670 Ni\n0.683117 0.316766 0.499874 Ni\n0.137970 0.789243 0.747618 O\n0.209084 0.862366 0.252920 O\n0.304510 0.303603 0.039659 O\n0.302114 0.303484 0.465295 O\n0.696405 0.694972 0.959986 O\n0.696744 0.698047 0.534404 O\n0.788546 0.137885 0.752640 O\n0.861780 0.212538 0.247149 O\n",
"nsites": 16,
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"elements": [
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"Ni",
"O"
],
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"density": 3.119828130317649,
"density_atomic": 0.09128247447546652,
"volume": 175.28008625905767,
"volume_molar": 6.59725844923117,
"formula_full": "Li4 Si2 Ni2 O8",
"formula_reduced": "Li2SiNiO4",
"formula_anonymous": "ABC2D4",
"energy": -108.49429632,
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