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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=10410",
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"results": [
{
"id": "mp-754762",
"created_at": "2022-09-04T14:45:29.403675Z",
"structure_string": "Li4 Mn3 V2 Cr3 O16\n1.0\n5.834406 0.009450 -0.018831\n-2.909039 5.042161 0.000138\n-0.030395 -0.017297 9.416902\nLi Mn V Cr O\n4 3 2 3 16\ndirect\n0.335384 0.667662 0.897521 Li\n0.994106 0.997137 0.996234 Li\n0.997167 0.998629 0.495209 Li\n0.672814 0.336384 0.393524 Li\n0.658510 0.829262 0.215281 Mn\n0.830132 0.660340 0.714309 Mn\n0.830575 0.170463 0.714439 Mn\n0.327460 0.663835 0.491608 V\n0.657947 0.329051 0.992779 V\n0.169968 0.831220 0.213129 Cr\n0.170037 0.338638 0.213223 Cr\n0.339407 0.169656 0.713372 Cr\n0.173227 0.836817 0.596174 O\n0.048367 0.524383 0.341713 O\n0.338417 0.669147 0.106063 O\n0.994066 0.997057 0.307871 O\n0.998294 0.998981 0.807821 O\n0.171792 0.335972 0.596572 O\n0.482902 0.961753 0.338702 O\n0.483198 0.521656 0.338847 O\n0.330881 0.165341 0.099530 O\n0.665441 0.832655 0.597961 O\n0.520139 0.477125 0.843469 O\n0.521329 0.042801 0.842738 O\n0.670345 0.335414 0.607086 O\n0.827233 0.660654 0.097199 O\n0.963732 0.481749 0.838211 O\n0.827128 0.166521 0.097252 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"V",
"Cr",
"O"
],
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"density": 4.2306120818342405,
"density_atomic": 0.10098037026236949,
"volume": 277.28161351805073,
"volume_molar": 5.963674667020073,
"formula_full": "Li4 Mn3 V2 Cr3 O16",
"formula_reduced": "Li4Mn3V2Cr3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -224.64313894,
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"updated_at": "2021-11-28T01:37:04.444000Z",
"spacegroup": 8
},
{
"id": "mp-542176",
"created_at": "2022-09-04T14:45:29.414132Z",
"structure_string": "Cu4 H32 C16 O20\n1.0\n4.366114 6.677799 0.000000\n-4.366114 6.677799 0.000000\n0.000000 6.233767 12.473680\nCu H C O\n4 32 16 20\ndirect\n0.470126 0.628593 0.542945 Cu\n0.371407 0.529874 0.957055 Cu\n0.529874 0.371407 0.457055 Cu\n0.628593 0.470126 0.042945 Cu\n0.301417 0.182966 0.851365 H\n0.817034 0.698583 0.648635 H\n0.698583 0.817034 0.148635 H\n0.182966 0.301417 0.351365 H\n0.257460 0.047411 0.790420 H\n0.952589 0.742540 0.709580 H\n0.742540 0.952589 0.209580 H\n0.047411 0.257460 0.290420 H\n0.089445 0.268199 0.812590 H\n0.731801 0.910555 0.687410 H\n0.910555 0.731801 0.187410 H\n0.268199 0.089445 0.312590 H\n0.967395 0.192598 0.669930 H\n0.807402 0.032605 0.830070 H\n0.032605 0.807402 0.330070 H\n0.192598 0.967395 0.169930 H\n0.056642 0.069797 0.567688 H\n0.930203 0.943358 0.932312 H\n0.943358 0.930203 0.432312 H\n0.069797 0.056642 0.067688 H\n0.097136 0.290170 0.540915 H\n0.709831 0.902864 0.959085 H\n0.902864 0.709831 0.459085 H\n0.290169 0.097136 0.040915 H\n0.453847 0.773010 0.700317 H\n0.226990 0.546153 0.799683 H\n0.546153 0.226990 0.299683 H\n0.773010 0.453847 0.200317 H\n0.409890 0.965180 0.611625 H\n0.034820 0.590110 0.888375 H\n0.590110 0.034820 0.388375 H\n0.965180 0.409890 0.111625 H\n0.335121 0.299408 0.682878 C\n0.700592 0.664879 0.817122 C\n0.664879 0.700592 0.317122 C\n0.299408 0.335121 0.182878 C\n0.241220 0.190209 0.790354 C\n0.809791 0.758780 0.709646 C\n0.758780 0.809791 0.209646 C\n0.190209 0.241220 0.290354 C\n0.813788 0.318484 0.550572 C\n0.681516 0.186212 0.949428 C\n0.186212 0.681516 0.449428 C\n0.318484 0.813788 0.050572 C\n0.995160 0.209098 0.584160 C\n0.790902 0.004840 0.915840 C\n0.004840 0.790902 0.415840 C\n0.209098 0.995160 0.084160 C\n0.402743 0.227023 0.603354 O\n0.772977 0.597257 0.896646 O\n0.597257 0.772977 0.396646 O\n0.227023 0.402743 0.103354 O\n0.340715 0.460658 0.678031 O\n0.539342 0.659285 0.821969 O\n0.659285 0.539342 0.321969 O\n0.460658 0.340715 0.178031 O\n0.767841 0.245429 0.500340 O\n0.754571 0.232159 0.999660 O\n0.232159 0.754571 0.499660 O\n0.245429 0.767841 0.000340 O\n0.718808 0.476978 0.574251 O\n0.523022 0.281192 0.925749 O\n0.281192 0.523022 0.425749 O\n0.476978 0.718808 0.074251 O\n0.410356 0.832886 0.634154 O\n0.167114 0.589644 0.865846 O\n0.589644 0.167114 0.365846 O\n0.832886 0.410356 0.134154 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-O",
"density": 1.8231563575366556,
"density_atomic": 0.09898730228314284,
"volume": 727.3660190682995,
"volume_molar": 6.083750765097422,
"formula_full": "Cu4 H32 C16 O20",
"formula_reduced": "CuH8C4O5",
"formula_anonymous": "AB4C5D8",
"energy": -432.23737636,
"energy_per_atom": -6.003296893888889,
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"energy_uncorrected": -418.49737636,
"band_gap": 0.1559999999999999,
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"is_magnetic": false,
"total_magnetization": 0.0001375,
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"updated_at": "2021-11-28T01:36:54.036000Z",
"spacegroup": 15
},
{
"id": "mp-558931",
"created_at": "2022-09-04T14:45:29.581241Z",
"structure_string": "Si48 O96\n1.0\n0.000000 10.826237 10.826237\n10.826237 0.000000 10.826237\n10.826237 10.826237 0.000000\nSi O\n48 96\ndirect\n0.017310 0.340275 0.801074 Si\n0.840275 0.301074 0.341341 Si\n0.841341 0.017310 0.801074 Si\n0.841341 0.340275 0.017310 Si\n0.340275 0.801074 0.017310 Si\n0.801074 0.017310 0.340275 Si\n0.801074 0.340275 0.841341 Si\n0.841341 0.801074 0.340275 Si\n0.341341 0.840275 0.301074 Si\n0.017310 0.841341 0.340275 Si\n0.840275 0.517310 0.301074 Si\n0.517310 0.301074 0.840275 Si\n0.301074 0.840275 0.517310 Si\n0.698926 0.482690 0.658659 Si\n0.341341 0.301074 0.517310 Si\n0.659725 0.982690 0.158659 Si\n0.017310 0.801074 0.841341 Si\n0.159725 0.698926 0.658659 Si\n0.801074 0.841341 0.017310 Si\n0.340275 0.017310 0.841341 Si\n0.659725 0.198926 0.982690 Si\n0.301074 0.517310 0.341341 Si\n0.159725 0.482690 0.698926 Si\n0.840275 0.341341 0.517310 Si\n0.517310 0.341341 0.301074 Si\n0.340275 0.841341 0.801074 Si\n0.341341 0.517310 0.840275 Si\n0.482690 0.658659 0.698926 Si\n0.658659 0.698926 0.482690 Si\n0.301074 0.341341 0.840275 Si\n0.659725 0.158659 0.198926 Si\n0.982690 0.158659 0.659725 Si\n0.158659 0.982690 0.198926 Si\n0.198926 0.659725 0.158659 Si\n0.198926 0.982690 0.659725 Si\n0.158659 0.198926 0.659725 Si\n0.698926 0.658659 0.159725 Si\n0.482690 0.698926 0.159725 Si\n0.658659 0.159725 0.698926 Si\n0.517310 0.840275 0.341341 Si\n0.159725 0.658659 0.482690 Si\n0.198926 0.158659 0.982690 Si\n0.658659 0.482690 0.159725 Si\n0.698926 0.159725 0.482690 Si\n0.482690 0.159725 0.658659 Si\n0.158659 0.659725 0.982690 Si\n0.982690 0.198926 0.158659 Si\n0.982690 0.659725 0.198926 Si\n0.723749 0.542422 0.158047 O\n0.378974 0.257599 0.621026 O\n0.223749 0.075782 0.658047 O\n0.957578 0.341953 0.924218 O\n0.621026 0.742401 0.378974 O\n0.542422 0.575782 0.158047 O\n0.121026 0.757599 0.878974 O\n0.621026 0.257599 0.742401 O\n0.223749 0.042422 0.075782 O\n0.575782 0.158047 0.542422 O\n0.424218 0.276251 0.841953 O\n0.542422 0.723749 0.575782 O\n0.250000 0.559478 0.250000 O\n0.750000 0.440522 0.750000 O\n0.257599 0.378974 0.742401 O\n0.341953 0.957578 0.776251 O\n0.158047 0.723749 0.542422 O\n0.559478 0.250000 0.940522 O\n0.250000 0.250000 0.940522 O\n0.042422 0.075782 0.223749 O\n0.575782 0.542422 0.723749 O\n0.424218 0.457578 0.276251 O\n0.742401 0.621026 0.257599 O\n0.878974 0.757599 0.242401 O\n0.042422 0.223749 0.658047 O\n0.723749 0.158047 0.575782 O\n0.776251 0.341953 0.957578 O\n0.750000 0.059478 0.440522 O\n0.158047 0.575782 0.723749 O\n0.776251 0.957578 0.924218 O\n0.257599 0.621026 0.378974 O\n0.940522 0.250000 0.250000 O\n0.957578 0.924218 0.776251 O\n0.059478 0.750000 0.750000 O\n0.750000 0.440522 0.059478 O\n0.250000 0.250000 0.559478 O\n0.924218 0.957578 0.341953 O\n0.257599 0.742401 0.621026 O\n0.559478 0.250000 0.250000 O\n0.723749 0.575782 0.542422 O\n0.276251 0.457578 0.841953 O\n0.457578 0.841953 0.276251 O\n0.878974 0.121026 0.757599 O\n0.242401 0.121026 0.878974 O\n0.750000 0.750000 0.059478 O\n0.841953 0.457578 0.424218 O\n0.341953 0.924218 0.957578 O\n0.924218 0.776251 0.957578 O\n0.658047 0.223749 0.075782 O\n0.878974 0.242401 0.121026 O\n0.059478 0.440522 0.750000 O\n0.378974 0.621026 0.742401 O\n0.940522 0.250000 0.559478 O\n0.542422 0.158047 0.723749 O\n0.658047 0.075782 0.042422 O\n0.924218 0.341953 0.776251 O\n0.075782 0.223749 0.042422 O\n0.242401 0.757599 0.121026 O\n0.559478 0.940522 0.250000 O\n0.457578 0.424218 0.841953 O\n0.457578 0.276251 0.424218 O\n0.250000 0.940522 0.559478 O\n0.341953 0.776251 0.924218 O\n0.059478 0.750000 0.440522 O\n0.621026 0.378974 0.257599 O\n0.276251 0.424218 0.457578 O\n0.075782 0.658047 0.223749 O\n0.957578 0.776251 0.341953 O\n0.750000 0.750000 0.440522 O\n0.250000 0.940522 0.250000 O\n0.075782 0.042422 0.658047 O\n0.575782 0.723749 0.158047 O\n0.440522 0.750000 0.059478 O\n0.121026 0.242401 0.757599 O\n0.121026 0.878974 0.242401 O\n0.658047 0.042422 0.223749 O\n0.276251 0.841953 0.424218 O\n0.158047 0.542422 0.575782 O\n0.757599 0.878974 0.121026 O\n0.940522 0.559478 0.250000 O\n0.742401 0.257599 0.378974 O\n0.841953 0.424218 0.276251 O\n0.841953 0.276251 0.457578 O\n0.776251 0.924218 0.341953 O\n0.757599 0.242401 0.878974 O\n0.750000 0.059478 0.750000 O\n0.250000 0.559478 0.940522 O\n0.378974 0.742401 0.257599 O\n0.424218 0.841953 0.457578 O\n0.742401 0.378974 0.621026 O\n0.440522 0.750000 0.750000 O\n0.440522 0.059478 0.750000 O\n0.242401 0.878974 0.757599 O\n0.042422 0.658047 0.075782 O\n0.223749 0.658047 0.042422 O\n0.757599 0.121026 0.242401 O\n",
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],
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"density": 1.8870732340619993,
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"volume": 2537.830345237013,
"volume_molar": 10.6133135861227,
"formula_full": "Si48 O96",
"formula_reduced": "SiO2",
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"spacegroup": 226
},
{
"id": "mp-1175289",
"created_at": "2022-09-04T14:45:29.391958Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n3.012285 0.000000 0.000000\n0.133269 5.087293 0.000000\n0.853801 0.644703 14.493413\nLi Mn Co O\n7 4 1 12\ndirect\n0.999790 0.335171 0.165383 Li\n0.498631 0.159339 0.332169 Li\n0.012921 0.007808 0.508276 Li\n0.506893 0.851360 0.668682 Li\n0.983264 0.658285 0.828721 Li\n0.497280 0.501421 0.997282 Li\n0.002294 0.324114 0.667427 Li\n0.979204 0.002184 0.994839 Mn\n0.514825 0.493367 0.508143 Mn\n0.499552 0.833938 0.165822 Mn\n0.020111 0.670189 0.336619 Mn\n0.485869 0.171708 0.822615 Co\n0.513116 0.145927 0.081878 O\n0.036836 0.985257 0.250925 O\n0.551849 0.811086 0.417111 O\n0.990469 0.641916 0.574122 O\n0.498751 0.470243 0.758646 O\n0.959524 0.309626 0.915110 O\n0.477573 0.519252 0.250512 O\n0.038608 0.365447 0.426453 O\n0.500474 0.187013 0.577694 O\n0.011404 0.003401 0.756174 O\n0.459988 0.864825 0.914687 O\n0.960774 0.687124 0.080711 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.8822617786400024,
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"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
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"spacegroup": 1
},
{
"id": "mp-626751",
"created_at": "2022-09-04T14:45:29.404060Z",
"structure_string": "Mo6 H4 O20\n1.0\n3.897160 0.000000 0.000000\n-0.007446 10.683149 0.000000\n-0.183222 -5.340239 9.386564\nMo H O\n6 4 20\ndirect\n0.249036 0.105913 0.462441 Mo\n0.252982 0.533901 0.641086 Mo\n0.247458 0.357603 0.894008 Mo\n0.750964 0.894087 0.537559 Mo\n0.747018 0.466099 0.358914 Mo\n0.752542 0.642397 0.105992 Mo\n0.289787 0.092056 0.077943 H\n0.210023 0.007200 0.917289 H\n0.789977 0.992800 0.082711 H\n0.710213 0.907944 0.922057 H\n0.251049 0.923896 0.502666 O\n0.247015 0.496649 0.419056 O\n0.251608 0.580797 0.077052 O\n0.748951 0.076104 0.497334 O\n0.752985 0.503351 0.580944 O\n0.748392 0.419203 0.922948 O\n0.236593 0.011656 0.278858 O\n0.262666 0.719400 0.727698 O\n0.251147 0.267688 0.989058 O\n0.763407 0.988344 0.721142 O\n0.737334 0.280600 0.272302 O\n0.748853 0.732312 0.010942 O\n0.247142 0.216982 0.716607 O\n0.251200 0.289601 0.505906 O\n0.251819 0.499334 0.784527 O\n0.752858 0.783018 0.283393 O\n0.748800 0.710399 0.494094 O\n0.748181 0.500666 0.215473 O\n0.249873 0.993342 0.999712 O\n0.750127 0.006658 0.000288 O\n",
"nsites": 30,
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"elements": [
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"H",
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],
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"density": 3.8227264863602373,
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"volume": 390.7996513635999,
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"formula_full": "Mo6 H4 O20",
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"spacegroup": 2
},
{
"id": "mp-4938",
"created_at": "2022-09-04T14:45:29.414591Z",
"structure_string": "Sc1 Co3 B2\n1.0\n2.443421 -4.232130 0.000000\n2.443421 4.232130 0.000000\n0.000000 0.000000 2.981184\nSc Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 6,
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"elements": [
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"Co",
"B"
],
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"density": 6.554709346740869,
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"formula_full": "Sc1 Co3 B2",
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"energy": -44.29413206,
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"updated_at": "2021-11-28T01:36:59.427000Z",
"spacegroup": 191
},
{
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