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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=12152",
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"results": [
{
"id": "mp-1233025",
"created_at": "2022-09-04T14:46:58.938394Z",
"structure_string": "K1 Mg1 Ni2 H3 Se2 O10\n1.0\n4.668534 2.984777 -1.886261\n4.656968 -2.959110 -1.854128\n-0.598177 0.022141 -9.350966\nK Mg Ni H Se O\n1 1 2 3 2 10\ndirect\n0.468088 0.473421 0.519780 K\n0.025998 0.025423 0.123136 Mg\n0.030404 0.559992 0.953226 Ni\n0.559343 0.033632 0.953918 Ni\n0.803255 0.798464 0.667424 H\n0.274270 0.287224 0.188400 H\n0.622644 0.620584 0.853808 H\n0.834571 0.830724 0.396446 Se\n0.076864 0.077223 0.755588 Se\n0.885531 0.875326 0.565271 O\n0.194090 0.192384 0.587989 O\n0.153036 0.714025 0.301299 O\n0.722461 0.151297 0.304896 O\n0.742087 0.226621 0.781984 O\n0.225333 0.741228 0.781630 O\n0.721285 0.722083 0.842040 O\n0.240600 0.244925 0.104320 O\n0.855185 0.858853 0.059917 O\n0.162718 0.164336 0.889925 O\n",
"nsites": 19,
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"elements": [
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"Ni",
"H",
"Se",
"O"
],
"chemical_system": "H-K-Mg-Ni-O-Se",
"density": 3.134389635247945,
"density_atomic": 0.0714807691281668,
"volume": 265.8057577127147,
"volume_molar": 8.424840461918018,
"formula_full": "K1 Mg1 Ni2 H3 Se2 O10",
"formula_reduced": "KMgNi2H3(SeO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -107.63589608,
"energy_per_atom": -5.665047162105263,
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"energy_uncorrected": -95.68389608,
"band_gap": 1.9805,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.241000Z",
"spacegroup": 8
},
{
"id": "mp-1173822",
"created_at": "2022-09-04T14:46:55.605405Z",
"structure_string": "Na6 Mg8 Cr2 Si16 O44 F4\n1.0\n10.532215 0.957250 1.758937\n0.704736 8.582749 4.783235\n-0.570596 -0.020854 10.249143\nNa Mg Cr Si O F\n6 8 2 16 44 4\ndirect\n0.000067 0.499811 0.999487 Na\n0.252243 0.276138 0.450808 Na\n0.247757 0.723862 0.549192 Na\n0.499933 0.500189 0.000513 Na\n0.747846 0.273406 0.450547 Na\n0.752154 0.726594 0.549453 Na\n0.999971 0.999406 0.001124 Mg\n0.251987 0.089252 0.820740 Mg\n0.248013 0.910748 0.179260 Mg\n0.500029 0.000594 0.998876 Mg\n0.499934 0.180723 0.638995 Mg\n0.747826 0.090474 0.820638 Mg\n0.752174 0.909526 0.179362 Mg\n0.000066 0.819277 0.361005 Mg\n0.999949 0.178387 0.643639 Cr\n0.500051 0.821613 0.356361 Cr\n0.101562 0.117938 0.341774 Si\n0.102174 0.459525 0.657176 Si\n0.143831 0.634004 0.169345 Si\n0.143541 0.802682 0.828125 Si\n0.356459 0.197318 0.171875 Si\n0.356169 0.365996 0.830655 Si\n0.397826 0.540475 0.342824 Si\n0.398438 0.882062 0.658226 Si\n0.602409 0.115878 0.343777 Si\n0.601210 0.459964 0.658620 Si\n0.643866 0.631020 0.171061 Si\n0.643757 0.804127 0.829817 Si\n0.856243 0.195873 0.170183 Si\n0.856134 0.368980 0.828939 Si\n0.898790 0.540036 0.341380 Si\n0.897591 0.884122 0.656223 Si\n0.035719 0.524217 0.249105 O\n0.098016 0.116461 0.500215 O\n0.034613 0.775113 0.748498 O\n0.101215 0.608631 0.499010 O\n0.131991 0.283754 0.665952 O\n0.106823 0.804032 0.166561 O\n0.148512 0.655917 0.998630 O\n0.214995 0.221936 0.244097 O\n0.136748 0.952468 0.335516 O\n0.104119 0.974720 0.825834 O\n0.213940 0.460435 0.759578 O\n0.286060 0.539565 0.240422 O\n0.351488 0.344083 0.001370 O\n0.395881 0.025280 0.174166 O\n0.363252 0.047532 0.664484 O\n0.285005 0.778064 0.755903 O\n0.393177 0.195968 0.833439 O\n0.368009 0.716246 0.334048 O\n0.398785 0.391369 0.500990 O\n0.465387 0.224887 0.251502 O\n0.401984 0.883539 0.499785 O\n0.464281 0.475783 0.750895 O\n0.534584 0.524322 0.250037 O\n0.601797 0.107177 0.501870 O\n0.535542 0.774115 0.750038 O\n0.597422 0.616551 0.500245 O\n0.636648 0.288387 0.664631 O\n0.604466 0.800421 0.173909 O\n0.649035 0.655079 0.000378 O\n0.714057 0.219121 0.241359 O\n0.632078 0.949003 0.334663 O\n0.606704 0.971073 0.833280 O\n0.714984 0.466311 0.756003 O\n0.785016 0.533689 0.243997 O\n0.850965 0.344921 0.999622 O\n0.893296 0.028927 0.166720 O\n0.867922 0.050997 0.665337 O\n0.785943 0.780879 0.758641 O\n0.895534 0.199579 0.826091 O\n0.863352 0.711613 0.335369 O\n0.902578 0.383449 0.499755 O\n0.964458 0.225885 0.249962 O\n0.898203 0.892823 0.498130 O\n0.965416 0.475678 0.749963 O\n0.147153 0.102557 0.999191 F\n0.352847 0.897443 0.000809 F\n0.647130 0.101519 0.001493 F\n0.852870 0.898481 0.998507 F\n",
"nsites": 80,
"nelements": 6,
"elements": [
"Na",
"Mg",
"Cr",
"Si",
"O",
"F"
],
"chemical_system": "Cr-F-Mg-Na-O-Si",
"density": 2.985116545100285,
"density_atomic": 0.08633836568252319,
"volume": 926.5869161129348,
"volume_molar": 6.975046044008007,
"formula_full": "Na6 Mg8 Cr2 Si16 O44 F4",
"formula_reduced": "Na3Mg4CrSi8(O11F)2",
"formula_anonymous": "AB2C3D4E8F22",
"energy": -603.5534270999999,
"energy_per_atom": -7.5444178387499985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -567.4794271,
"band_gap": 3.4495,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0120976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.926000Z",
"spacegroup": 15
},
{
"id": "mp-1223622",
"created_at": "2022-09-04T14:47:02.223913Z",
"structure_string": "K1 Al1 Co3 Si3 H2 O12\n1.0\n-5.371252 0.000000 0.000000\n2.680831 4.657896 0.000000\n-0.851843 -1.560698 -10.420862\nK Al Co Si H O\n1 1 3 3 2 12\ndirect\n0.999736 0.006385 0.019515 K\n0.666347 0.409741 0.230227 Al\n0.337133 0.165558 0.494965 Co\n0.663748 0.828985 0.495732 Co\n0.000828 0.503303 0.496193 Co\n0.334110 0.741947 0.224734 Si\n0.331763 0.588819 0.767936 Si\n0.665638 0.253439 0.767852 Si\n0.999866 0.112558 0.307973 H\n0.003975 0.891232 0.694484 H\n0.000021 0.137610 0.400787 O\n0.004547 0.870063 0.601841 O\n0.011898 0.501893 0.169978 O\n0.999031 0.464329 0.826748 O\n0.664200 0.464937 0.399287 O\n0.336060 0.795950 0.384814 O\n0.329182 0.539369 0.613486 O\n0.665247 0.197939 0.613414 O\n0.553939 0.622184 0.168597 O\n0.433732 0.044022 0.168791 O\n0.477345 0.418562 0.825162 O\n0.521653 0.941174 0.827484 O\n",
"nsites": 22,
"nelements": 6,
"elements": [
"K",
"Al",
"Co",
"Si",
"H",
"O"
],
"chemical_system": "Al-Co-H-K-O-Si",
"density": 3.3192379086191894,
"density_atomic": 0.08438275882549913,
"volume": 260.716766152376,
"volume_molar": 7.136695746643691,
"formula_full": "K1 Al1 Co3 Si3 H2 O12",
"formula_reduced": "KAlCo3Si3(HO6)2",
"formula_anonymous": "ABC2D3E3F12",
"energy": -162.23304757999998,
"energy_per_atom": -7.374229435454544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -149.07504758,
"band_gap": 2.6524,
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"is_magnetic": true,
"total_magnetization": 9.0006919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.420000Z",
"spacegroup": 1
},
{
"id": "mp-1227981",
"created_at": "2022-09-04T14:46:58.255500Z",
"structure_string": "Ba1 Sr3 Co2 Cu4 S4 O4\n1.0\n3.941668 0.000000 0.000000\n0.000000 3.941668 0.000000\n0.000000 0.000000 18.955033\nBa Sr Co Cu S O\n1 3 2 4 4 4\ndirect\n0.500000 0.500000 0.096695 Ba\n0.000000 0.000000 0.593835 Sr\n0.000000 0.000000 0.407895 Sr\n0.500000 0.500000 0.903646 Sr\n0.000000 0.000000 0.993509 Co\n0.500000 0.500000 0.500401 Co\n0.500000 0.000000 0.254028 Cu\n0.000000 0.500000 0.750119 Cu\n0.000000 0.500000 0.254028 Cu\n0.500000 0.000000 0.750119 Cu\n0.500000 0.500000 0.328281 S\n0.000000 0.000000 0.823972 S\n0.000000 0.000000 0.181806 S\n0.500000 0.500000 0.674527 S\n0.000000 0.500000 0.993141 O\n0.500000 0.000000 0.500430 O\n0.500000 0.000000 0.993141 O\n0.000000 0.500000 0.500430 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"S",
"O"
],
"chemical_system": "Ba-Co-Cu-O-S-Sr",
"density": 5.438316078818269,
"density_atomic": 0.061120637737681574,
"volume": 294.49954493689444,
"volume_molar": 9.852876185366243,
"formula_full": "Ba1 Sr3 Co2 Cu4 S4 O4",
"formula_reduced": "BaSr3Co2Cu4(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -102.2329334,
"energy_per_atom": -5.67960741111111,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -94.1969334,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 5.8785051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.087000Z",
"spacegroup": 99
},
{
"id": "mp-772483",
"created_at": "2022-09-04T14:47:03.868261Z",
"structure_string": "Na10 Li2 Mn4 P4 C4 O28\n1.0\n6.767011 0.000000 0.000000\n-0.100429 8.982738 0.000000\n-0.062073 -0.006646 10.374923\nNa Li Mn P C O\n10 2 4 4 4 28\ndirect\n0.243941 0.917431 0.629037 Na\n0.247942 0.916382 0.130504 Na\n0.498365 0.742214 0.373705 Na\n0.000929 0.741642 0.873718 Na\n0.499028 0.740856 0.873314 Na\n0.501635 0.257786 0.626295 Na\n0.500972 0.259144 0.126686 Na\n0.999071 0.258358 0.126282 Na\n0.756059 0.082569 0.370963 Na\n0.752058 0.083618 0.869496 Na\n0.012129 0.729891 0.368914 Li\n0.987871 0.270109 0.631086 Li\n0.750188 0.638816 0.636843 Mn\n0.752768 0.638064 0.141821 Mn\n0.249812 0.361184 0.363157 Mn\n0.247232 0.361936 0.858179 Mn\n0.241630 0.587432 0.598553 P\n0.250561 0.588291 0.103176 P\n0.758370 0.412568 0.401447 P\n0.749439 0.411709 0.896824 P\n0.757907 0.944084 0.617257 C\n0.751000 0.939354 0.118398 C\n0.242093 0.055916 0.382743 C\n0.249000 0.060646 0.881602 C\n0.230799 0.911541 0.392392 O\n0.252468 0.916576 0.892566 O\n0.750562 0.880751 0.730331 O\n0.752796 0.877239 0.231443 O\n0.752798 0.860289 0.514708 O\n0.752930 0.855684 0.015603 O\n0.064862 0.681516 0.645246 O\n0.432470 0.673219 0.640341 O\n0.069128 0.680216 0.147517 O\n0.436921 0.680568 0.143127 O\n0.234361 0.577339 0.447697 O\n0.765803 0.574032 0.346003 O\n0.246217 0.571123 0.953031 O\n0.749039 0.569349 0.836468 O\n0.234197 0.425968 0.653997 O\n0.765639 0.422661 0.552303 O\n0.250961 0.430651 0.163532 O\n0.753783 0.428877 0.046969 O\n0.567530 0.326781 0.359659 O\n0.935138 0.318484 0.354754 O\n0.563079 0.319432 0.856873 O\n0.930872 0.319784 0.852483 O\n0.247202 0.139711 0.485292 O\n0.247070 0.144316 0.984397 O\n0.249438 0.119249 0.269669 O\n0.247204 0.122761 0.768557 O\n0.769201 0.088459 0.607608 O\n0.747532 0.083424 0.107434 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
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"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.8527823886626127,
"density_atomic": 0.08245421212785183,
"volume": 630.6530455881364,
"volume_molar": 7.303618098566258,
"formula_full": "Na10 Li2 Mn4 P4 C4 O28",
"formula_reduced": "Na5LiMn2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -373.96490019,
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"energy_uncorrected": -348.05690019,
"band_gap": 3.3307,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.756000Z",
"spacegroup": 2
},
{
"id": "mp-1233872",
"created_at": "2022-09-04T14:46:22.130827Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.689920 -0.060767 -0.042895\n4.323817 7.538108 -0.042893\n4.323817 2.484348 7.117083\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.124238 0.124238 0.124238 Mg\n0.245708 0.245708 0.245707 Fe\n0.363273 0.363273 0.363273 Fe\n0.643224 0.643225 0.643224 Fe\n0.993957 0.993961 0.993961 Ni\n0.500048 0.500046 0.500047 Ni\n0.846035 0.846035 0.846035 Sb\n0.044633 0.743726 0.440989 P\n0.440990 0.044633 0.743726 P\n0.743726 0.440990 0.044633 P\n0.250517 0.544610 0.940469 P\n0.544610 0.940469 0.250517 P\n0.940470 0.250517 0.544610 P\n0.107047 0.309317 0.494683 O\n0.309317 0.494682 0.107047 O\n0.048121 0.892694 0.246071 O\n0.494683 0.107047 0.309317 O\n0.014131 0.829264 0.578948 O\n0.244388 0.591930 0.430504 O\n0.246071 0.048121 0.892694 O\n0.430504 0.244388 0.591931 O\n0.190825 0.379777 0.993001 O\n0.591931 0.430503 0.244389 O\n0.087798 0.738769 0.932755 O\n0.379777 0.993000 0.190825 O\n0.578949 0.014131 0.829264 O\n0.892694 0.246072 0.048121 O\n0.405909 0.564979 0.747474 O\n0.829263 0.578949 0.014131 O\n0.564979 0.747474 0.405909 O\n0.738769 0.932755 0.087798 O\n0.747474 0.405909 0.564978 O\n0.993001 0.190825 0.379777 O\n0.514662 0.893266 0.660384 O\n0.932755 0.087798 0.738769 O\n0.660384 0.514663 0.893266 O\n0.893266 0.660385 0.514663 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.536294404295645,
"density_atomic": 0.0787312681326117,
"volume": 469.9530552166227,
"volume_molar": 7.64898229488258,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -277.37710729,
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"band_gap": 0.1364,
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"updated_at": "2021-11-28T01:37:29.288000Z",
"spacegroup": 146
},
{
"id": "mp-1177457",
"created_at": "2022-09-04T14:46:18.408936Z",
"structure_string": "Li4 Mn2 Fe3 Sn1 P6 O24\n1.0\n8.589280 0.000000 0.000000\n3.884875 7.752906 0.000000\n3.899795 2.482514 7.360875\nLi Mn Fe Sn P O\n4 2 3 1 6 24\ndirect\n0.254280 0.649360 0.848097 Li\n0.707931 0.355717 0.151556 Li\n0.357695 0.150741 0.712358 Li\n0.149845 0.706457 0.358435 Li\n0.979763 0.000391 0.994115 Mn\n0.514506 0.501018 0.496200 Mn\n0.849468 0.852320 0.849033 Fe\n0.651735 0.649505 0.644744 Fe\n0.347899 0.343634 0.351387 Fe\n0.148482 0.148167 0.153989 Sn\n0.753799 0.050224 0.450593 P\n0.441696 0.750679 0.050983 P\n0.057883 0.450756 0.756045 P\n0.947088 0.557464 0.253281 P\n0.555564 0.255734 0.945486 P\n0.254851 0.944649 0.558518 P\n0.893652 0.489981 0.705734 O\n0.692185 0.899138 0.477625 O\n0.948756 0.734134 0.086941 O\n0.448119 0.697249 0.902479 O\n0.988957 0.392969 0.192481 O\n0.757882 0.571800 0.397453 O\n0.739330 0.103224 0.922678 O\n0.546655 0.415840 0.765260 O\n0.828631 0.014190 0.594953 O\n0.399307 0.753073 0.574504 O\n0.904665 0.080636 0.248382 O\n0.599836 0.814182 0.003180 O\n0.393953 0.185973 0.990359 O\n0.103312 0.923016 0.746232 O\n0.603631 0.244380 0.426104 O\n0.190897 0.985200 0.397482 O\n0.425585 0.597480 0.243587 O\n0.243841 0.904828 0.087733 O\n0.247786 0.421286 0.602066 O\n0.044601 0.593958 0.820913 O\n0.527511 0.317034 0.099452 O\n0.079759 0.249578 0.909070 O\n0.321288 0.096648 0.527925 O\n0.097373 0.524385 0.325592 O\n",
"nsites": 40,
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"elements": [
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"Fe",
"Sn",
"P",
"O"
],
"chemical_system": "Fe-Li-Mn-O-P-Sn",
"density": 3.3663515047219033,
"density_atomic": 0.08160359085991106,
"volume": 490.1745079903166,
"volume_molar": 7.379749710203579,
"formula_full": "Li4 Mn2 Fe3 Sn1 P6 O24",
"formula_reduced": "Li4Mn2Fe3Sn(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -303.99494049,
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