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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10221",
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"results": [
{
"id": "mp-1180913",
"created_at": "2022-09-04T14:46:15.173688Z",
"structure_string": "Mg2 Se4 N4 O28\n1.0\n9.084299 0.000000 0.000000\n0.000000 7.831320 0.000000\n0.000000 7.739013 10.234370\nMg Se N O\n2 4 4 28\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.354423 0.387047 0.939612 Se\n0.854423 0.612953 0.560388 Se\n0.645577 0.612953 0.060388 Se\n0.145577 0.387047 0.439612 Se\n0.191374 0.309279 0.231385 N\n0.691374 0.690721 0.268615 N\n0.808626 0.690721 0.768615 N\n0.308626 0.309279 0.731385 N\n0.203841 0.511357 0.937171 O\n0.703841 0.488643 0.562829 O\n0.796159 0.488643 0.062829 O\n0.296159 0.511357 0.437171 O\n0.489625 0.552735 0.857919 O\n0.989625 0.447265 0.642081 O\n0.510375 0.447265 0.142081 O\n0.010375 0.552735 0.357919 O\n0.257963 0.284011 0.832311 O\n0.757963 0.715989 0.667689 O\n0.742037 0.715989 0.167689 O\n0.242037 0.284011 0.332311 O\n0.383092 0.147863 0.073551 O\n0.883092 0.852137 0.426449 O\n0.616908 0.852137 0.926449 O\n0.116908 0.147863 0.573551 O\n0.575126 0.586290 0.317286 O\n0.075126 0.413710 0.182714 O\n0.424874 0.413710 0.682714 O\n0.924874 0.586290 0.817286 O\n0.416930 0.983314 0.341435 O\n0.916930 0.016686 0.158565 O\n0.583070 0.016686 0.658565 O\n0.083070 0.983314 0.841435 O\n0.511001 0.158654 0.563546 O\n0.011001 0.841346 0.936454 O\n0.488999 0.841346 0.436454 O\n0.988999 0.158654 0.063546 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Mg",
"Se",
"N",
"O"
],
"chemical_system": "Mg-N-O-Se",
"density": 1.980666761311435,
"density_atomic": 0.052191056985575184,
"volume": 728.0940872782596,
"volume_molar": 11.538644947666855,
"formula_full": "Mg2 Se4 N4 O28",
"formula_reduced": "MgSe2(NO7)2",
"formula_anonymous": "AB2C2D14",
"energy": -210.08344117,
"energy_per_atom": -5.528511609736841,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -205.57544117,
"band_gap": 1.1779000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0009168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.371000Z",
"spacegroup": 14
},
{
"id": "mp-1234561",
"created_at": "2022-09-04T14:42:48.802246Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n0.043821 3.889715 0.068503\n-7.329228 1.857498 0.403712\n-1.965486 0.146479 9.805129\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.529430 0.954043 0.556462 Sr\n0.444128 0.101386 0.189431 Sr\n0.743332 0.908805 0.896716 Mg\n0.152911 0.745782 0.143335 Ti\n0.186453 0.620132 0.435006 Ti\n0.235627 0.555817 0.773980 Ti\n0.772725 0.467755 0.245515 Ti\n0.816952 0.308823 0.588862 Ti\n0.866905 0.280649 0.941567 Ti\n0.258576 0.491177 0.285686 N\n0.838801 0.332582 0.111859 N\n0.076941 0.864062 0.298170 O\n0.129832 0.741994 0.603314 O\n0.174505 0.705853 0.891948 O\n0.657164 0.738863 0.110077 O\n0.697749 0.592610 0.452319 O\n0.763482 0.489458 0.763616 O\n0.288077 0.369893 0.593709 O\n0.361589 0.286854 0.907264 O\n0.879390 0.209844 0.438434 O\n0.835787 0.086809 0.718364 O\n0.996971 0.015155 0.016205 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
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"Mg",
"Ti",
"N",
"O"
],
"chemical_system": "Mg-N-O-Sr-Ti",
"density": 4.134667181149423,
"density_atomic": 0.07930322655094448,
"volume": 277.41620305785636,
"volume_molar": 7.59381556326888,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -189.2652982,
"energy_per_atom": -8.6029681,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -180.9862982,
"band_gap": 0.0,
"is_gap_direct": false,
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"total_magnetization": 0.8379522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.037000Z",
"spacegroup": 1
},
{
"id": "mp-1233340",
"created_at": "2022-09-04T14:39:49.295736Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n0.000201 3.932053 0.000420\n-7.380191 1.965593 -0.015835\n-1.455999 -0.001521 9.530404\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.533602 0.928920 0.840706 Sr\n0.512336 0.976560 0.480689 Sr\n0.944616 0.113239 0.193541 Mg\n0.130947 0.734955 0.074917 Ti\n0.178087 0.641836 0.409751 Ti\n0.231143 0.534563 0.736442 Ti\n0.750921 0.495125 0.224442 Ti\n0.831215 0.335742 0.558938 Ti\n0.862079 0.272487 0.910356 Ti\n0.227310 0.542380 0.235704 N\n0.818542 0.360205 0.073174 N\n0.055788 0.887231 0.319494 O\n0.125488 0.745463 0.603256 O\n0.157810 0.681088 0.891711 O\n0.623564 0.749763 0.095556 O\n0.690909 0.615923 0.427634 O\n0.758880 0.479059 0.741710 O\n0.303302 0.391361 0.547872 O\n0.362322 0.272125 0.857372 O\n0.873577 0.251110 0.368693 O\n0.943687 0.110986 0.661892 O\n0.991202 0.014892 0.000847 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Ti",
"N",
"O"
],
"chemical_system": "Mg-N-O-Sr-Ti",
"density": 4.145949081816746,
"density_atomic": 0.07951961425165835,
"volume": 276.66130183146856,
"volume_molar": 7.573151374881589,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -189.83440783,
"energy_per_atom": -8.628836719545454,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -181.55540783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.923000Z",
"spacegroup": 8
},
{
"id": "mp-1234224",
"created_at": "2022-09-04T14:40:31.811519Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.003056 3.839104 0.000266\n-7.722033 1.912162 0.762991\n-2.508580 -0.002535 10.433772\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.501791 0.993875 0.833820 Sr\n0.445915 0.104760 0.253181 Sr\n0.653226 0.690656 0.593057 Mg\n0.107010 0.782879 0.103976 Ti\n0.189827 0.617104 0.385586 Ti\n0.201832 0.593721 0.806417 Ti\n0.756828 0.483124 0.199226 Ti\n0.852559 0.291446 0.523338 Ti\n0.850642 0.296095 0.941044 Ti\n0.235469 0.525652 0.243559 N\n0.834939 0.327103 0.102727 N\n0.064408 0.867570 0.261959 O\n0.136161 0.724814 0.614027 O\n0.128209 0.740849 0.902519 O\n0.620617 0.755665 0.084691 O\n0.695607 0.605577 0.437095 O\n0.723855 0.549822 0.786707 O\n0.315210 0.366291 0.528588 O\n0.338337 0.320730 0.888142 O\n0.885469 0.224996 0.375431 O\n0.943847 0.109366 0.672253 O\n0.975569 0.046250 0.981638 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Ti",
"N",
"O"
],
"chemical_system": "Mg-N-O-Sr-Ti",
"density": 3.7992425321687917,
"density_atomic": 0.07286975663342447,
"volume": 301.90851481324785,
"volume_molar": 8.2642526038542,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -190.22503474,
"energy_per_atom": -8.646592488181819,
"energy_above_hull": null,
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"energy_uncorrected": -181.94603474,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0784465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.872000Z",
"spacegroup": 8
},
{
"id": "mp-1233522",
"created_at": "2022-09-04T14:42:22.292455Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.248683 3.908729 -0.044429\n-7.851183 2.442720 0.496604\n-2.139915 -0.014209 9.751788\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.412038 0.858294 0.591447 Sr\n0.497728 0.094440 0.228454 Sr\n0.629606 0.072476 0.823896 Mg\n0.082095 0.776117 0.065173 Ti\n0.202057 0.613990 0.420160 Ti\n0.138055 0.566568 0.807338 Ti\n0.754522 0.523296 0.220842 Ti\n0.975397 0.288600 0.557741 Ti\n0.837926 0.302775 0.956014 Ti\n0.226246 0.563973 0.234093 N\n0.846582 0.339830 0.125678 N\n0.083438 0.856123 0.355400 O\n0.062843 0.674824 0.614435 O\n0.994041 0.773215 0.877087 O\n0.578472 0.772644 0.098348 O\n0.750424 0.550188 0.430252 O\n0.661531 0.542014 0.803885 O\n0.429488 0.338694 0.570568 O\n0.336825 0.301551 0.896883 O\n0.094046 0.170979 0.431386 O\n0.119502 0.099249 0.727356 O\n0.911133 0.038507 0.018258 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Ti",
"N",
"O"
],
"chemical_system": "Mg-N-O-Sr-Ti",
"density": 3.96965799263861,
"density_atomic": 0.07613833794295193,
"volume": 288.9477311217893,
"volume_molar": 7.909472314082035,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -189.20865902000003,
"energy_per_atom": -8.600393591818182,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:40.194000Z",
"spacegroup": 1
},
{
"id": "mp-1233185",
"created_at": "2022-09-04T14:42:59.233166Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.000403 3.917841 -0.000005\n-7.568580 1.959685 -0.235694\n-1.214801 0.000264 9.337206\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.527222 0.942642 0.733066 Sr\n0.441982 0.112628 0.229565 Sr\n0.711034 0.573937 0.963248 Mg\n0.120151 0.755793 0.117445 Ti\n0.165010 0.666515 0.425686 Ti\n0.240112 0.516181 0.743984 Ti\n0.764438 0.467767 0.254678 Ti\n0.825126 0.346490 0.572122 Ti\n0.888949 0.218986 0.916988 Ti\n0.230532 0.535504 0.250094 N\n0.831636 0.333482 0.086264 N\n0.059497 0.877077 0.300506 O\n0.129336 0.737727 0.632826 O\n0.177784 0.640499 0.928472 O\n0.625201 0.745842 0.113118 O\n0.689745 0.616975 0.444487 O\n0.756833 0.482724 0.767336 O\n0.298650 0.399429 0.555915 O\n0.371753 0.253313 0.864522 O\n0.868480 0.260171 0.381005 O\n0.930568 0.135840 0.682075 O\n0.003287 0.990489 0.991295 O\n",
"nsites": 22,
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"elements": [
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"N",
"O"
],
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"density": 4.12619502121692,
"density_atomic": 0.07914072988819826,
"volume": 277.98581123878057,
"volume_molar": 7.6094076571033025,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -190.43045551,
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"total_magnetization": 5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.052000Z",
"spacegroup": 8
},
{
"id": "mp-1233103",
"created_at": "2022-09-04T14:44:42.126602Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.000193 3.867025 -0.000020\n-7.690124 1.933752 -0.094074\n-1.408586 0.000107 9.374147\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.546840 0.903631 0.799499 Sr\n0.459026 0.078809 0.279947 Sr\n0.284474 0.428027 0.038417 Mg\n0.112092 0.772748 0.111020 Ti\n0.172931 0.651016 0.414684 Ti\n0.224872 0.547235 0.738639 Ti\n0.763028 0.470866 0.256307 Ti\n0.834433 0.328166 0.575522 Ti\n0.882905 0.231222 0.912825 Ti\n0.232658 0.531587 0.229047 N\n0.835419 0.326127 0.087362 N\n0.060492 0.875927 0.298195 O\n0.124863 0.747032 0.616130 O\n0.170795 0.655350 0.907680 O\n0.615246 0.766397 0.110718 O\n0.696559 0.603795 0.435445 O\n0.759680 0.477643 0.746654 O\n0.298519 0.399972 0.566230 O\n0.359457 0.278078 0.876671 O\n0.870616 0.255667 0.388887 O\n0.934762 0.127561 0.692036 O\n0.000995 0.994825 0.972783 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Ti",
"N",
"O"
],
"chemical_system": "Mg-N-O-Sr-Ti",
"density": 4.107128066695512,
"density_atomic": 0.07877502427084129,
"volume": 279.2763341380948,
"volume_molar": 7.644733614165455,
"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -191.01094765,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.606000Z",
"spacegroup": 8
},
{
"id": "mp-1233097",
"created_at": "2022-09-04T14:41:49.805854Z",
"structure_string": "Sr2 Mg1 Ti6 N2 O11\n1.0\n-0.000021 3.917466 0.000096\n-7.639373 1.958953 0.433357\n-2.067215 0.000048 9.690110\nSr Mg Ti N O\n2 1 6 2 11\ndirect\n0.570293 0.856385 0.709741 Sr\n0.422231 0.152534 0.303454 Sr\n0.495757 0.005509 0.012628 Mg\n0.139279 0.718383 0.051240 Ti\n0.155722 0.685460 0.412128 Ti\n0.250525 0.495949 0.750038 Ti\n0.742527 0.511924 0.242242 Ti\n0.841017 0.314878 0.582192 Ti\n0.855924 0.285126 0.959057 Ti\n0.215779 0.565404 0.246598 N\n0.827321 0.342321 0.123349 N\n0.039389 0.918107 0.325817 O\n0.139523 0.717997 0.610433 O\n0.169733 0.657501 0.882590 O\n0.626644 0.743683 0.068343 O\n0.687168 0.622571 0.428529 O\n0.772005 0.453012 0.754795 O\n0.311624 0.373739 0.587014 O\n0.367255 0.262393 0.917976 O\n0.857618 0.281739 0.402702 O\n0.955369 0.085991 0.681734 O\n0.997957 0.001072 0.009241 O\n",
"nsites": 22,
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"elements": [
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"N",
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],
"chemical_system": "Mg-N-O-Sr-Ti",
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"density_atomic": 0.07679249585363773,
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"formula_full": "Sr2 Mg1 Ti6 N2 O11",
"formula_reduced": "Sr2MgTi6N2O11",
"formula_anonymous": "AB2C2D6E11",
"energy": -189.44307951,
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"spacegroup": 8
},
{
"id": "mp-1196564",
"created_at": "2022-09-04T14:47:25.964314Z",
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{
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{
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{
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}