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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=1758",
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"results": [
{
"id": "mp-754619",
"created_at": "2022-09-04T14:46:22.811531Z",
"structure_string": "Li4 Cr2 P4 O14\n1.0\n-1.859990 -0.001351 4.946670\n-5.427836 0.000685 -4.676780\n-0.000405 -8.591330 0.000864\nLi Cr P O\n4 2 4 14\ndirect\n0.244195 0.904314 0.829185 Li\n0.755872 0.095720 0.329204 Li\n0.425657 0.638883 0.651846 Li\n0.574397 0.361068 0.151760 Li\n0.463059 0.271073 0.509772 Cr\n0.537055 0.728874 0.009892 Cr\n0.166828 0.926510 0.214662 P\n0.833033 0.073440 0.714645 P\n0.159544 0.521784 0.310905 P\n0.840544 0.478279 0.810983 P\n0.881640 0.928243 0.197994 O\n0.118289 0.071871 0.697883 O\n0.637658 0.887227 0.797344 O\n0.362263 0.112797 0.297307 O\n0.293862 0.896993 0.059511 O\n0.706124 0.102999 0.559487 O\n0.161944 0.747487 0.332383 O\n0.837924 0.252485 0.832243 O\n0.130137 0.615685 0.789987 O\n0.869896 0.384325 0.290002 O\n0.340358 0.520592 0.171568 O\n0.659827 0.479307 0.671521 O\n0.284475 0.481703 0.463020 O\n0.715416 0.518346 0.963005 O\n",
"nsites": 24,
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"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.6078684255526072,
"density_atomic": 0.07858322489652805,
"volume": 305.40869290616706,
"volume_molar": 7.663392241702297,
"formula_full": "Li4 Cr2 P4 O14",
"formula_reduced": "Li2CrP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -181.2313896,
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"band_gap": 1.9725,
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"updated_at": "2021-11-28T01:37:33.315000Z",
"spacegroup": 4
},
{
"id": "mp-771337",
"created_at": "2022-09-04T14:46:22.835855Z",
"structure_string": "Na12 Fe4 P4 C4 O28\n1.0\n0.030153 5.300931 -0.000335\n-9.000044 0.054910 6.726957\n9.001826 -0.054987 6.728056\nNa Fe P C O\n12 4 4 4 28\ndirect\n0.002936 0.240756 0.243461 Na\n0.002102 0.740954 0.743378 Na\n0.997614 0.993401 0.990934 Na\n0.997515 0.493304 0.490760 Na\n0.442644 0.029621 0.194747 Na\n0.442211 0.529651 0.694780 Na\n0.557473 0.944961 0.779753 Na\n0.557675 0.444686 0.279391 Na\n0.492418 0.997239 0.492343 Na\n0.492531 0.497284 0.992382 Na\n0.507589 0.242357 0.747241 Na\n0.507133 0.742521 0.247265 Na\n0.029300 0.719856 0.018145 Fe\n0.970899 0.268247 0.970048 Fe\n0.030020 0.219924 0.518170 Fe\n0.969723 0.768128 0.470021 Fe\n0.985361 0.946743 0.290524 P\n0.985085 0.446868 0.790396 P\n0.014674 0.040532 0.696876 P\n0.014803 0.540468 0.196875 P\n0.499634 0.292077 0.445963 C\n0.498956 0.792166 0.945951 C\n0.500327 0.696018 0.542120 C\n0.501196 0.196066 0.042225 C\n0.323715 0.342129 0.394545 O\n0.322860 0.842165 0.894588 O\n0.676490 0.644605 0.592033 O\n0.677362 0.144659 0.092156 O\n0.737230 0.310064 0.424150 O\n0.736484 0.810390 0.924174 O\n0.262823 0.674230 0.560304 O\n0.263697 0.174200 0.060443 O\n0.069828 0.900830 0.151673 O\n0.069793 0.400910 0.651631 O\n0.929812 0.901742 0.650948 O\n0.930585 0.401573 0.151007 O\n0.082799 0.083269 0.338772 O\n0.081959 0.583496 0.838580 O\n0.918020 0.088726 0.833528 O\n0.917486 0.588684 0.333376 O\n0.438411 0.225565 0.518327 O\n0.438032 0.725513 0.018212 O\n0.561304 0.768384 0.475561 O\n0.562027 0.268427 0.975677 O\n0.697558 0.937752 0.303244 O\n0.697352 0.437713 0.803095 O\n0.302428 0.053193 0.687647 O\n0.302521 0.553324 0.187816 O\n0.123479 0.866805 0.364903 O\n0.123523 0.367124 0.864932 O\n0.876265 0.115107 0.617193 O\n0.876334 0.614788 0.116933 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Na-O-P",
"density": 2.894738883843848,
"density_atomic": 0.08099614852900759,
"volume": 642.0058353932343,
"volume_molar": 7.435095210537399,
"formula_full": "Na12 Fe4 P4 C4 O28",
"formula_reduced": "Na3FePCO7",
"formula_anonymous": "ABCD3E7",
"energy": -364.67154063,
"energy_per_atom": -7.012914242884615,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -336.41154063,
"band_gap": 3.5016,
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"is_magnetic": true,
"total_magnetization": 16.0001161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.762000Z",
"spacegroup": 4
},
{
"id": "mp-1200233",
"created_at": "2022-09-04T14:46:22.928087Z",
"structure_string": "Dy8 Ag8 S16\n1.0\n7.636363 0.000000 0.000000\n0.000000 7.644711 0.000000\n0.000000 0.019911 12.714258\nDy Ag S\n8 8 16\ndirect\n0.504242 0.746493 0.003437 Dy\n0.004242 0.253507 0.996563 Dy\n0.256529 0.001813 0.753749 Dy\n0.756529 0.998187 0.246251 Dy\n0.748643 0.502031 0.747065 Dy\n0.248643 0.497969 0.252935 Dy\n0.002604 0.752674 0.503184 Dy\n0.502604 0.247326 0.496816 Dy\n0.251762 0.498685 0.790024 Ag\n0.751762 0.501315 0.209976 Ag\n0.752653 0.997611 0.696823 Ag\n0.252653 0.002389 0.303177 Ag\n0.002996 0.754239 0.031172 Ag\n0.502996 0.245761 0.968828 Ag\n0.501970 0.745155 0.528096 Ag\n0.001970 0.254845 0.471904 Ag\n0.776823 0.024088 0.463965 S\n0.276823 0.975912 0.536035 S\n0.232177 0.479863 0.471253 S\n0.732177 0.520137 0.528747 S\n0.522771 0.728105 0.221544 S\n0.022771 0.271895 0.778456 S\n0.479378 0.728199 0.786878 S\n0.979378 0.271801 0.213122 S\n0.982112 0.772238 0.720810 S\n0.482112 0.227762 0.279190 S\n0.525781 0.228038 0.713151 S\n0.025781 0.771962 0.286849 S\n0.272884 0.019251 0.971013 S\n0.772884 0.980749 0.028987 S\n0.729675 0.476308 0.963809 S\n0.229675 0.523692 0.036191 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Ag",
"S"
],
"chemical_system": "Ag-Dy-S",
"density": 5.986792595355081,
"density_atomic": 0.04311330550970173,
"volume": 742.2302609759088,
"volume_molar": 13.96817221227643,
"formula_full": "Dy8 Ag8 S16",
"formula_reduced": "DyAgS2",
"formula_anonymous": "ABC2",
"energy": -175.94812744,
"energy_per_atom": -5.4983789825,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -167.90012744,
"band_gap": 1.7002000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0037535,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.168000Z",
"spacegroup": 4
},
{
"id": "mp-1219248",
"created_at": "2022-09-04T14:46:22.573793Z",
"structure_string": "Sm4 Cu2 Te8\n1.0\n0.006358 0.000000 6.503725\n7.631235 0.000000 0.006325\n0.000000 8.278845 0.000000\nSm Cu Te\n4 2 8\ndirect\n0.749532 0.226706 0.054099 Sm\n0.243439 0.762813 0.943042 Sm\n0.256561 0.237187 0.443042 Sm\n0.750468 0.773294 0.554099 Sm\n0.564048 0.588147 0.201419 Cu\n0.935952 0.411853 0.701419 Cu\n0.731582 0.381902 0.413379 Te\n0.229853 0.616024 0.591065 Te\n0.270147 0.383976 0.091065 Te\n0.768418 0.618098 0.913379 Te\n0.501132 0.920806 0.249314 Te\n0.998868 0.079194 0.749314 Te\n0.496406 0.069806 0.749682 Te\n0.003594 0.930194 0.249682 Te\n",
"nsites": 14,
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"elements": [
"Sm",
"Cu",
"Te"
],
"chemical_system": "Cu-Sm-Te",
"density": 7.069601615410669,
"density_atomic": 0.034072314737153844,
"volume": 410.8907806235374,
"volume_molar": 17.674586556437305,
"formula_full": "Sm4 Cu2 Te8",
"formula_reduced": "Sm2CuTe4",
"formula_anonymous": "AB2C4",
"energy": -69.92887348000001,
"energy_per_atom": -4.994919534285715,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:29.572000Z",
"spacegroup": 4
},
{
"id": "mp-1196362",
"created_at": "2022-09-04T14:46:23.253443Z",
"structure_string": "Si10 H30 C8 N2 O24\n1.0\n9.439538 0.000000 0.000000\n0.000000 8.952926 0.000000\n0.000000 0.957249 8.953051\nSi H C N O\n10 30 8 2 24\ndirect\n0.753111 0.957311 0.263204 Si\n0.253111 0.042689 0.736796 Si\n0.516019 0.218812 0.249021 Si\n0.016019 0.781188 0.750979 Si\n0.488805 0.784831 0.751118 Si\n0.988805 0.215169 0.248882 Si\n0.753635 0.763691 0.978665 Si\n0.253635 0.236309 0.021335 Si\n0.754554 0.467404 0.199938 Si\n0.254554 0.532596 0.800062 Si\n0.415422 0.785831 0.097699 H\n0.915422 0.214169 0.902301 H\n0.326054 0.943076 0.157281 H\n0.826054 0.056924 0.842719 H\n0.237878 0.825177 0.038995 H\n0.737878 0.174823 0.961005 H\n0.371035 0.579953 0.429484 H\n0.871035 0.420047 0.570516 H\n0.458797 0.623957 0.254644 H\n0.958797 0.376043 0.745356 H\n0.311799 0.498945 0.268423 H\n0.811799 0.501055 0.731577 H\n0.057477 0.757366 0.157636 H\n0.557477 0.242634 0.842364 H\n0.120698 0.568788 0.186048 H\n0.620698 0.431212 0.813952 H\n0.050292 0.656108 0.340103 H\n0.550292 0.343892 0.659897 H\n0.146846 0.803454 0.457089 H\n0.646846 0.196546 0.542911 H\n0.255015 0.945225 0.360536 H\n0.755015 0.054775 0.639464 H\n0.336966 0.795798 0.475306 H\n0.836966 0.204202 0.524694 H\n0.369357 0.198543 0.476274 H\n0.869357 0.801457 0.523726 H\n0.122514 0.202022 0.477886 H\n0.622514 0.797978 0.522114 H\n0.755745 0.654976 0.366914 H\n0.255745 0.345024 0.633086 H\n0.312950 0.827857 0.130776 C\n0.812950 0.172143 0.869224 C\n0.356783 0.599210 0.308754 C\n0.856783 0.400790 0.691246 C\n0.110788 0.674234 0.236068 C\n0.610788 0.325766 0.763932 C\n0.248279 0.825993 0.400065 C\n0.748279 0.174007 0.599935 C\n0.257556 0.731991 0.268645 N\n0.757556 0.268009 0.731355 N\n0.750482 0.835841 0.407920 O\n0.250482 0.164159 0.592080 O\n0.747192 0.875126 0.108192 O\n0.247192 0.124874 0.891808 O\n0.449374 0.244605 0.408588 O\n0.949374 0.755395 0.591412 O\n0.542281 0.753139 0.587209 O\n0.042281 0.246861 0.412791 O\n0.397645 0.201650 0.118249 O\n0.897645 0.798350 0.881751 O\n0.618046 0.797191 0.869441 O\n0.118046 0.202809 0.130559 O\n0.764130 0.544954 0.353667 O\n0.264130 0.455046 0.646333 O\n0.610994 0.366926 0.193049 O\n0.110994 0.633074 0.806951 O\n0.390326 0.642595 0.815926 O\n0.890326 0.357405 0.184074 O\n0.615037 0.069021 0.256713 O\n0.115037 0.930979 0.743287 O\n0.397736 0.939871 0.748938 O\n0.897736 0.060129 0.251062 O\n0.752381 0.588580 0.049812 O\n0.252381 0.411420 0.950188 O\n",
"nsites": 74,
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"elements": [
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"H",
"C",
"N",
"O"
],
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"density": 1.7977962878258167,
"density_atomic": 0.09780136750601816,
"volume": 756.6356369755919,
"volume_molar": 6.157522040404426,
"formula_full": "Si10 H30 C8 N2 O24",
"formula_reduced": "Si5H15C4NO12",
"formula_anonymous": "AB4C5D12E15",
"energy": -480.81229431,
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"updated_at": "2021-11-28T01:37:31.671000Z",
"spacegroup": 4
},
{
"id": "mp-850103",
"created_at": "2022-09-04T14:46:24.370502Z",
"structure_string": "Li8 V10 Fe4 O24\n1.0\n9.006394 0.000000 0.000000\n0.000000 5.205424 0.000000\n0.000000 1.780297 9.744884\nLi V Fe O\n8 10 4 24\ndirect\n0.915589 0.011030 0.741665 Li\n0.919476 0.483718 0.259545 Li\n0.582204 0.758183 0.503175 Li\n0.583513 0.499350 0.257271 Li\n0.415589 0.988970 0.258335 Li\n0.419476 0.516282 0.740455 Li\n0.082204 0.241817 0.496825 Li\n0.083513 0.500650 0.742729 Li\n0.918786 0.253522 0.002296 V\n0.927735 0.748913 0.494853 V\n0.748791 0.988094 0.255239 V\n0.573360 0.245476 0.997726 V\n0.743796 0.513608 0.742422 V\n0.427735 0.251087 0.505147 V\n0.418786 0.746478 0.997704 V\n0.248791 0.011906 0.744761 V\n0.243796 0.486392 0.257578 V\n0.073360 0.754524 0.002274 V\n0.753322 0.238097 0.505659 Fe\n0.743876 0.757388 0.991218 Fe\n0.243876 0.242612 0.008782 Fe\n0.253322 0.761903 0.494341 Fe\n0.902561 0.112428 0.384343 O\n0.907462 0.882904 0.117508 O\n0.751555 0.153565 0.882184 O\n0.770483 0.862323 0.619699 O\n0.906349 0.387241 0.620588 O\n0.914918 0.615878 0.874767 O\n0.762255 0.635809 0.371557 O\n0.598183 0.128819 0.379505 O\n0.575673 0.882095 0.120819 O\n0.745915 0.351602 0.118961 O\n0.402561 0.887572 0.615657 O\n0.407462 0.117096 0.882492 O\n0.574838 0.600340 0.879728 O\n0.595062 0.388007 0.613639 O\n0.270483 0.137677 0.380301 O\n0.406349 0.612759 0.379412 O\n0.414918 0.384122 0.125233 O\n0.251555 0.846435 0.117816 O\n0.245915 0.648398 0.881039 O\n0.075673 0.117905 0.879181 O\n0.098183 0.871181 0.620495 O\n0.262255 0.364191 0.628443 O\n0.095062 0.611993 0.386361 O\n0.074838 0.399660 0.120272 O\n",
"nsites": 46,
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"elements": [
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"O"
],
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"density": 4.2609586784731945,
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"formula_full": "Li8 V10 Fe4 O24",
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"energy": -362.94958805,
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"spacegroup": 4
},
{
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