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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=10212",
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"results": [
{
"id": "mp-1234243",
"created_at": "2022-09-04T14:48:11.479550Z",
"structure_string": "Er4 Mg1 Zr4 O14\n1.0\n2.837520 0.000000 2.006431\n-0.845012 7.760469 13.233606\n-0.845012 0.000000 13.233606\nEr Mg Zr O\n4 1 4 14\ndirect\n0.991291 0.228043 0.026312 Er\n0.942305 0.000000 0.528847 Er\n0.991291 0.771957 0.482397 Er\n0.978275 0.500000 0.510863 Er\n0.630966 0.500000 0.184517 Mg\n0.969132 0.000000 0.015434 Zr\n0.133725 0.500000 0.933137 Zr\n0.944649 0.214172 0.563503 Zr\n0.944649 0.785828 0.991848 Zr\n0.249792 0.000000 0.125104 O\n0.212177 0.230859 0.163053 O\n0.194587 0.000000 0.652706 O\n0.416078 0.500000 0.041961 O\n0.191399 0.244081 0.660219 O\n0.191399 0.755919 0.148382 O\n0.663755 0.251755 0.416368 O\n0.713919 0.000000 0.893041 O\n0.919208 0.500000 0.290397 O\n0.729684 0.276171 0.858986 O\n0.729684 0.723829 0.411330 O\n0.212177 0.769141 0.624770 O\n0.886104 0.500000 0.806948 O\n0.663755 0.748245 0.919877 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Er",
"Mg",
"Zr",
"O"
],
"chemical_system": "Er-Mg-O-Zr",
"density": 6.990855157732316,
"density_atomic": 0.07551680079240562,
"volume": 304.5679869732115,
"volume_molar": 7.974570819750114,
"formula_full": "Er4 Mg1 Zr4 O14",
"formula_reduced": "Er4MgZr4O14",
"formula_anonymous": "AB4C4D14",
"energy": -205.54542031000005,
"energy_per_atom": -8.936757404782611,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -195.92742031,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.984881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.686000Z",
"spacegroup": 25
},
{
"id": "mp-1210985",
"created_at": "2022-09-04T14:48:07.827483Z",
"structure_string": "Na24 La8 P16 O64\n1.0\n5.430442 0.000000 0.000000\n0.000000 14.171534 0.000000\n0.000000 0.000000 19.008873\nNa La P O\n24 8 16 64\ndirect\n0.017650 0.783295 0.506389 Na\n0.982350 0.216705 0.006389 Na\n0.982350 0.283295 0.506389 Na\n0.017650 0.716705 0.006389 Na\n0.012205 0.047665 0.852147 Na\n0.987795 0.952335 0.352147 Na\n0.987795 0.547665 0.852147 Na\n0.012205 0.452335 0.352147 Na\n0.010390 0.138194 0.671586 Na\n0.989610 0.861806 0.171586 Na\n0.989610 0.638194 0.671586 Na\n0.010390 0.361806 0.171586 Na\n0.525366 0.202694 0.768065 Na\n0.474634 0.797306 0.268065 Na\n0.474634 0.702694 0.768065 Na\n0.525366 0.297306 0.268065 Na\n0.460586 0.032643 0.611904 Na\n0.539414 0.967357 0.111904 Na\n0.539414 0.532643 0.611904 Na\n0.460586 0.467357 0.111904 Na\n0.502911 0.115536 0.948982 Na\n0.497089 0.884464 0.448982 Na\n0.497089 0.615536 0.948982 Na\n0.502911 0.384464 0.448982 Na\n0.068560 0.386204 0.696993 La\n0.931440 0.613796 0.196993 La\n0.931440 0.886204 0.696993 La\n0.068560 0.113796 0.196993 La\n0.445259 0.365280 0.925467 La\n0.554741 0.634720 0.425467 La\n0.554741 0.865280 0.925467 La\n0.445259 0.134720 0.425467 La\n0.031240 0.524944 0.519518 P\n0.968760 0.475056 0.019518 P\n0.968760 0.024944 0.519518 P\n0.031240 0.975056 0.019518 P\n0.014523 0.770151 0.847132 P\n0.985477 0.229849 0.347132 P\n0.985477 0.270151 0.847132 P\n0.014523 0.729849 0.347132 P\n0.526111 0.480385 0.776370 P\n0.473889 0.519615 0.276370 P\n0.473889 0.980385 0.776370 P\n0.526111 0.019615 0.276370 P\n0.540390 0.273464 0.603214 P\n0.459610 0.726536 0.103214 P\n0.459610 0.773464 0.603214 P\n0.540390 0.226536 0.103214 P\n0.415832 0.196411 0.648612 O\n0.584168 0.803589 0.148612 O\n0.584168 0.696411 0.648612 O\n0.415832 0.303589 0.148612 O\n0.308705 0.529840 0.737387 O\n0.691295 0.470160 0.237387 O\n0.691295 0.029840 0.737387 O\n0.308705 0.970160 0.237387 O\n0.095435 0.121894 0.504598 O\n0.904565 0.878106 0.004598 O\n0.904565 0.621894 0.504598 O\n0.095435 0.378106 0.004598 O\n0.194331 0.218909 0.888584 O\n0.805669 0.781091 0.388584 O\n0.805669 0.718909 0.888584 O\n0.194331 0.281091 0.388584 O\n0.314033 0.532264 0.503400 O\n0.685967 0.467736 0.003400 O\n0.685967 0.032264 0.503400 O\n0.314033 0.967736 0.003400 O\n0.088110 0.552607 0.973289 O\n0.911890 0.447393 0.473289 O\n0.911890 0.052607 0.973289 O\n0.088110 0.947393 0.473289 O\n0.227348 0.008637 0.740373 O\n0.772652 0.991363 0.240373 O\n0.772652 0.508637 0.740373 O\n0.227348 0.491363 0.240373 O\n0.410290 0.370111 0.615959 O\n0.589710 0.629889 0.115959 O\n0.589710 0.870111 0.615959 O\n0.410290 0.129889 0.115959 O\n0.484619 0.371915 0.774131 O\n0.515381 0.628085 0.274131 O\n0.515381 0.871915 0.774131 O\n0.484619 0.128085 0.274131 O\n0.032773 0.378311 0.849655 O\n0.967227 0.621689 0.349655 O\n0.967227 0.878311 0.849655 O\n0.032773 0.121689 0.349655 O\n0.179595 0.781519 0.623348 O\n0.820405 0.218481 0.123348 O\n0.820405 0.281519 0.623348 O\n0.179595 0.718481 0.123348 O\n0.011105 0.738024 0.768653 O\n0.988895 0.261976 0.268653 O\n0.988895 0.238024 0.768653 O\n0.011105 0.761976 0.268653 O\n0.470143 0.012891 0.854788 O\n0.529857 0.987109 0.354788 O\n0.529857 0.512891 0.854788 O\n0.470143 0.487109 0.354788 O\n0.007523 0.003317 0.599526 O\n0.992477 0.996683 0.099526 O\n0.992477 0.503317 0.599526 O\n0.007523 0.496683 0.099526 O\n0.733400 0.243373 0.880554 O\n0.266600 0.756627 0.380554 O\n0.266600 0.743373 0.880554 O\n0.733400 0.256627 0.380554 O\n0.527641 0.251148 0.522778 O\n0.472359 0.748852 0.022778 O\n0.472359 0.751148 0.522778 O\n0.527641 0.248852 0.022778 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Na",
"La",
"P",
"O"
],
"chemical_system": "La-Na-O-P",
"density": 3.6125557546634806,
"density_atomic": 0.07656135496994641,
"volume": 1462.8790209364079,
"volume_molar": 7.865770874044674,
"formula_full": "Na24 La8 P16 O64",
"formula_reduced": "Na3La(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -806.0905200899999,
"energy_per_atom": -7.197236786517856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -762.12252009,
"band_gap": 4.621600000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015069,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.045000Z",
"spacegroup": 29
},
{
"id": "mp-567491",
"created_at": "2022-09-04T14:48:07.779621Z",
"structure_string": "Rb8 Ti4 P12 Se50\n1.0\n0.000000 18.375838 19.192105\n3.516891 0.000000 19.192105\n3.516891 18.375838 0.000000\nRb Ti P Se\n8 4 12 50\ndirect\n0.213089 0.934148 0.933228 Rb\n0.742340 0.968551 0.371384 Rb\n0.315852 0.036911 0.330465 Rb\n0.316772 0.330465 0.036911 Rb\n0.878616 0.332276 0.507660 Rb\n0.919535 0.933228 0.934148 Rb\n0.917724 0.371384 0.968551 Rb\n0.281449 0.507660 0.332276 Rb\n0.345443 0.217757 0.406800 Ti\n0.032243 0.904557 0.220000 Ti\n0.843200 0.220000 0.904557 Ti\n0.030000 0.406800 0.217757 Ti\n0.228759 0.340907 0.342222 P\n0.088113 0.342222 0.340907 P\n0.736932 0.475302 0.928343 P\n0.909093 0.021241 0.161887 P\n0.774698 0.513068 0.390576 P\n0.321657 0.390576 0.513068 P\n0.859424 0.928343 0.475302 P\n0.856417 0.067740 0.792116 P\n0.907778 0.161887 0.021241 P\n0.457884 0.966274 0.393583 P\n0.283726 0.792116 0.067740 P\n0.182260 0.393583 0.966274 P\n0.582853 0.558426 0.157826 Se\n0.357933 0.142067 0.142067 Se\n0.756859 0.021519 0.689179 Se\n0.751501 0.427061 0.439871 Se\n0.100787 0.890288 0.622265 Se\n0.243651 0.138550 0.111227 Se\n0.921149 0.440892 0.574346 Se\n0.188289 0.284115 0.650038 Se\n0.111450 0.006349 0.743429 Se\n0.822939 0.498499 0.868434 Se\n0.138773 0.743429 0.006349 Se\n0.447960 0.596848 0.016115 Se\n0.233885 0.310924 0.802040 Se\n0.074061 0.272370 0.083330 Se\n0.107933 0.892067 0.892067 Se\n0.599962 0.372442 0.061711 Se\n0.228481 0.493141 0.717557 Se\n0.063612 0.574346 0.440892 Se\n0.691574 0.667147 0.549105 Se\n0.532443 0.689179 0.021519 Se\n0.673429 0.330258 0.175519 Se\n0.810129 0.868434 0.498499 Se\n0.455316 0.932039 0.582883 Se\n0.653152 0.802040 0.310924 Se\n0.700895 0.157826 0.558426 Se\n0.255399 0.431531 0.907336 Se\n0.342664 0.844266 0.994601 Se\n0.506571 0.111227 0.138550 Se\n0.317961 0.794684 0.220239 Se\n0.029761 0.582883 0.932039 Se\n0.675654 0.186388 0.328851 Se\n0.877558 0.650038 0.284115 Se\n0.092174 0.549105 0.667147 Se\n0.074481 0.429206 0.576571 Se\n0.667117 0.220239 0.794684 Se\n0.818469 0.994601 0.844266 Se\n0.939076 0.016115 0.596848 Se\n0.977630 0.175939 0.679761 Se\n0.359712 0.149213 0.863340 Se\n0.919742 0.576571 0.429206 Se\n0.820794 0.175519 0.330258 Se\n0.560821 0.717557 0.493141 Se\n0.627735 0.863340 0.149213 Se\n0.386660 0.622265 0.890288 Se\n0.570239 0.083330 0.272370 Se\n0.965885 0.061711 0.372442 Se\n0.381566 0.439871 0.427061 Se\n0.405734 0.907336 0.431531 Se\n0.166670 0.679761 0.175939 Se\n0.809108 0.328851 0.186388 Se\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Rb",
"Ti",
"P",
"Se"
],
"chemical_system": "P-Rb-Se-Ti",
"density": 3.4775008789586006,
"density_atomic": 0.02983135987205261,
"volume": 2480.611018652442,
"volume_molar": 20.18728206098918,
"formula_full": "Rb8 Ti4 P12 Se50",
"formula_reduced": "Rb4Ti2P6Se25",
"formula_anonymous": "A2B4C6D25",
"energy": -339.69686458,
"energy_per_atom": -4.59049817,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -316.09686458,
"band_gap": 1.1898,
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"is_magnetic": false,
"total_magnetization": 0.2692079,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.989000Z",
"spacegroup": 43
},
{
"id": "mp-1251404",
"created_at": "2022-09-04T14:48:07.806436Z",
"structure_string": "Fe13 Si2 Sb2 O28\n1.0\n5.541794 0.017905 1.078572\n1.663482 8.789432 0.630075\n-0.430209 0.394611 11.567308\nFe Si Sb O\n13 2 2 28\ndirect\n0.931181 0.658440 0.696523 Fe\n0.664814 0.338282 0.131040 Fe\n0.331145 0.379567 0.723966 Fe\n0.069595 0.339998 0.303766 Fe\n0.336018 0.660113 0.869308 Fe\n0.245379 0.064907 0.450188 Fe\n0.226598 0.652596 0.165567 Fe\n0.000581 0.999227 0.000180 Fe\n0.442854 0.986884 0.147601 Fe\n0.774109 0.345995 0.834798 Fe\n0.669750 0.618766 0.276426 Fe\n0.558237 0.011478 0.852740 Fe\n0.755611 0.933472 0.550107 Fe\n0.225213 0.310191 0.009166 Si\n0.775702 0.688188 0.991175 Si\n0.887669 0.978696 0.282302 Sb\n0.113324 0.019715 0.718026 Sb\n0.727820 0.388443 0.275115 O\n0.207077 0.289621 0.433510 O\n0.929338 0.352510 0.001189 O\n0.300634 0.123397 0.007281 O\n0.793849 0.708775 0.566749 O\n0.273003 0.609924 0.725223 O\n0.944324 0.099919 0.580744 O\n0.056685 0.898462 0.419549 O\n0.700367 0.874977 0.993080 O\n0.138983 0.881807 0.152139 O\n0.306474 0.366832 0.128989 O\n0.001967 0.559748 0.288366 O\n0.386451 0.949329 0.594378 O\n0.736665 0.113560 0.148534 O\n0.613611 0.603325 0.100950 O\n0.071578 0.645867 0.999139 O\n0.264345 0.884822 0.851791 O\n0.862006 0.116649 0.848182 O\n0.614532 0.049044 0.405936 O\n0.133097 0.124477 0.274589 O\n0.867833 0.873932 0.725739 O\n0.387304 0.395043 0.899401 O\n0.327141 0.164712 0.750431 O\n0.640998 0.358616 0.678332 O\n0.694381 0.631560 0.871357 O\n0.673910 0.833657 0.249900 O\n0.998916 0.438628 0.712032 O\n0.359960 0.639778 0.322007 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Fe",
"Si",
"Sb",
"O"
],
"chemical_system": "Fe-O-Sb-Si",
"density": 4.319674948120308,
"density_atomic": 0.07943601046162631,
"volume": 566.4937065506135,
"volume_molar": 7.5811218677820635,
"formula_full": "Fe13 Si2 Sb2 O28",
"formula_reduced": "Fe13Si2(SbO14)2",
"formula_anonymous": "A2B2C13D28",
"energy": -342.88633553,
"energy_per_atom": -7.619696345111111,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -294.32233553,
"band_gap": 0.0168999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 59.9995905,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.765000Z",
"spacegroup": 2
},
{
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}