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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=11458",
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"results": [
{
"id": "mp-1147781",
"created_at": "2022-09-04T14:46:06.699698Z",
"structure_string": "Ca1 Pr2 Mn3 O9\n1.0\n5.517427 0.000000 0.000000\n1.400921 5.794008 0.000000\n0.071234 0.090252 7.295453\nCa Pr Mn O\n1 2 3 9\ndirect\n0.488756 0.590518 0.270960 Ca\n0.768160 0.033508 0.021034 Pr\n0.478862 0.591104 0.796466 Pr\n0.046380 0.473597 0.066098 Mn\n0.972932 0.401092 0.529532 Mn\n0.529233 0.034863 0.529738 Mn\n0.160605 0.750434 0.021627 O\n0.334575 0.359458 0.533199 O\n0.385583 0.329015 0.057002 O\n0.511700 0.984841 0.776153 O\n0.522792 0.996565 0.283164 O\n0.721592 0.654314 0.036128 O\n0.698863 0.686033 0.524916 O\n0.892302 0.318423 0.774281 O\n0.919452 0.321262 0.277769 O\n",
"nsites": 15,
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"elements": [
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],
"chemical_system": "Ca-Mn-O-Pr",
"density": 4.490610417305465,
"density_atomic": 0.06431663417896225,
"volume": 233.22115952557806,
"volume_molar": 9.363271005822973,
"formula_full": "Ca1 Pr2 Mn3 O9",
"formula_reduced": "CaPr2Mn3O9",
"formula_anonymous": "AB2C3D9",
"energy": -121.20088876,
"energy_per_atom": -8.080059250666666,
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"band_gap": 0.3135999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.763000Z",
"spacegroup": 1
},
{
"id": "mp-758676",
"created_at": "2022-09-04T14:46:06.747329Z",
"structure_string": "Li4 Ni11 O22\n1.0\n7.415245 0.000000 0.000000\n-3.084378 -6.989702 0.000000\n-2.798756 0.169407 -7.224973\nLi Ni O\n4 11 22\ndirect\n0.306984 0.948254 0.558729 Li\n0.154108 0.396442 0.099315 Li\n0.845892 0.603558 0.900685 Li\n0.693016 0.051746 0.441271 Li\n0.453361 0.363760 0.632961 Ni\n0.367800 0.097674 0.913570 Ni\n0.632200 0.902326 0.086430 Ni\n0.180391 0.546878 0.451529 Ni\n0.546639 0.636240 0.367039 Ni\n0.090276 0.273525 0.725917 Ni\n0.269415 0.817269 0.179515 Ni\n0.819609 0.453122 0.548471 Ni\n0.730585 0.182731 0.820485 Ni\n0.000000 0.000000 0.000000 Ni\n0.909724 0.726475 0.274083 Ni\n0.571362 0.213947 0.574152 O\n0.612930 0.336154 0.873187 O\n0.496465 0.031142 0.156795 O\n0.682252 0.513643 0.296154 O\n0.232276 0.147731 0.665149 O\n0.317748 0.486357 0.703846 O\n0.503535 0.968858 0.843205 O\n0.223999 0.221496 0.973293 O\n0.387070 0.663846 0.126813 O\n0.937346 0.309428 0.486260 O\n0.317459 0.420144 0.386893 O\n0.062654 0.690572 0.513740 O\n0.428638 0.786053 0.425848 O\n0.956534 0.402567 0.794334 O\n0.115423 0.853198 0.938975 O\n0.884577 0.146802 0.061025 O\n0.043466 0.597433 0.205666 O\n0.136658 0.950094 0.244791 O\n0.682541 0.579856 0.613107 O\n0.863342 0.049906 0.755209 O\n0.776001 0.778504 0.026707 O\n0.767724 0.852269 0.334851 O\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Li",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O",
"density": 4.546872579855114,
"density_atomic": 0.09880554784722108,
"volume": 374.472899610977,
"volume_molar": 6.094941925034196,
"formula_full": "Li4 Ni11 O22",
"formula_reduced": "Li4(NiO2)11",
"formula_anonymous": "A4B11C22",
"energy": -219.38607548,
"energy_per_atom": -5.929353391351351,
"energy_above_hull": null,
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"energy_uncorrected": -176.32107548,
"band_gap": 0.3229999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0101062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.171000Z",
"spacegroup": 2
},
{
"id": "mp-775022",
"created_at": "2022-09-04T14:46:04.235727Z",
"structure_string": "Li2 Fe2 O2 F2\n1.0\n0.004613 -0.045615 -4.164009\n0.009974 -4.294444 -0.044741\n-4.515634 -0.008389 -0.006682\nLi Fe O F\n2 2 2 2\ndirect\n0.757562 0.257478 0.750205 Li\n0.257562 0.757478 0.750185 Li\n0.757673 0.757579 0.246436 Fe\n0.257671 0.257577 0.246430 Fe\n0.757698 0.257574 0.243065 O\n0.257695 0.757573 0.243089 O\n0.757618 0.757597 0.745004 F\n0.257619 0.257597 0.745009 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.022126152272239,
"density_atomic": 0.09908311625920135,
"volume": 80.74029463376996,
"volume_molar": 6.077867741105442,
"formula_full": "Li2 Fe2 O2 F2",
"formula_reduced": "LiFeOF",
"formula_anonymous": "ABCD",
"energy": -52.35192312,
"energy_per_atom": -6.54399039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -45.54192312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.643000Z",
"spacegroup": 123
},
{
"id": "mp-1396989",
"created_at": "2022-09-04T14:46:05.994130Z",
"structure_string": "V4 Zn2 O8\n1.0\n1.460989 7.189459 0.000000\n-1.460989 7.189459 0.000000\n0.000000 6.224623 7.364657\nV Zn O\n4 2 8\ndirect\n0.359514 0.359514 0.966970 V\n0.847755 0.847755 0.316722 V\n0.152245 0.152245 0.683278 V\n0.640486 0.640486 0.033030 V\n0.616170 0.616170 0.383160 Zn\n0.383830 0.383830 0.616840 Zn\n0.144472 0.144472 0.898833 O\n0.532894 0.532894 0.777578 O\n0.467106 0.467106 0.222422 O\n0.855528 0.855528 0.101167 O\n0.830539 0.830539 0.849783 O\n0.208406 0.208406 0.433239 O\n0.169461 0.169461 0.150217 O\n0.791594 0.791594 0.566761 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 4.964888734005438,
"density_atomic": 0.09049036868486973,
"volume": 154.71259763295498,
"volume_molar": 6.6550074306492695,
"formula_full": "V4 Zn2 O8",
"formula_reduced": "V2ZnO4",
"formula_anonymous": "AB2C4",
"energy": -108.38573694,
"energy_per_atom": -7.741838352857143,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -96.08973694,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.015839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.692000Z",
"spacegroup": 12
},
{
"id": "mp-1026573",
"created_at": "2022-09-04T14:46:02.217857Z",
"structure_string": "Ba1 Mg14 Nb1\n1.0\n6.537084 0.033113 0.000000\n-3.239866 5.611611 0.000000\n0.000000 0.000000 10.454993\nBa Mg Nb\n1 14 1\ndirect\n0.156604 0.328301 0.125000 Ba\n0.168655 0.334327 0.625000 Mg\n0.164198 0.832099 0.625000 Mg\n0.660038 0.327794 0.125000 Mg\n0.664992 0.336204 0.625000 Mg\n0.660038 0.832243 0.125000 Mg\n0.664992 0.828787 0.625000 Mg\n0.335021 0.153724 0.383044 Mg\n0.335021 0.153724 0.866956 Mg\n0.335021 0.681298 0.383044 Mg\n0.335021 0.681298 0.866956 Mg\n0.821136 0.160569 0.391753 Mg\n0.821136 0.160569 0.858247 Mg\n0.845124 0.672562 0.365527 Mg\n0.845124 0.672562 0.884473 Mg\n0.187879 0.843939 0.125000 Nb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Nb"
],
"chemical_system": "Ba-Mg-Nb",
"density": 2.4628825517653103,
"density_atomic": 0.04159645934354815,
"volume": 384.6481227609987,
"volume_molar": 14.477532114603086,
"formula_full": "Ba1 Mg14 Nb1",
"formula_reduced": "BaMg14Nb",
"formula_anonymous": "ABC14",
"energy": -31.76952665,
"energy_per_atom": -1.985595415625,
"energy_above_hull": null,
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"energy_uncorrected": -31.76952665,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.865000Z",
"spacegroup": 38
},
{
"id": "mp-758477",
"created_at": "2022-09-04T14:46:02.301427Z",
"structure_string": "Mn3 Cu3 Te2 O16\n1.0\n5.949126 0.057971 0.122022\n-2.924326 5.065228 0.001451\n0.195405 0.115380 9.219490\nMn Cu Te O\n3 3 2 16\ndirect\n0.662982 0.831480 0.212774 Mn\n0.827962 0.662899 0.709565 Mn\n0.827922 0.165022 0.709551 Mn\n0.164714 0.829776 0.209014 Cu\n0.164266 0.334589 0.208947 Cu\n0.335634 0.167835 0.711436 Cu\n0.333185 0.666948 0.485207 Te\n0.656676 0.328269 0.990394 Te\n0.166252 0.830019 0.595986 O\n0.046898 0.524158 0.348259 O\n0.344141 0.673184 0.116223 O\n0.991859 0.994620 0.299177 O\n0.983968 0.992159 0.803417 O\n0.166192 0.336493 0.595768 O\n0.509671 0.972605 0.349924 O\n0.508472 0.536371 0.349732 O\n0.323727 0.161246 0.092582 O\n0.655846 0.827908 0.603731 O\n0.530501 0.492376 0.845225 O\n0.530502 0.037967 0.845153 O\n0.680036 0.339918 0.609692 O\n0.815521 0.652369 0.094064 O\n0.956657 0.478393 0.835596 O\n0.816415 0.163593 0.094302 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-Mn-O-Te",
"density": 5.1540302805337594,
"density_atomic": 0.08595459720814028,
"volume": 279.21717720209494,
"volume_molar": 7.006188098836995,
"formula_full": "Mn3 Cu3 Te2 O16",
"formula_reduced": "Mn3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -157.10875826,
"energy_per_atom": -6.546198260833333,
"energy_above_hull": null,
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"energy_uncorrected": -141.11275826,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.578000Z",
"spacegroup": 8
},
{
"id": "mp-1214641",
"created_at": "2022-09-04T14:46:06.023517Z",
"structure_string": "Ba4 Re8 O36\n1.0\n7.520710 0.000000 0.000000\n0.017054 7.669126 0.000000\n1.602800 0.091032 15.706995\nBa Re O\n4 8 36\ndirect\n0.221155 0.828542 0.131774 Ba\n0.778845 0.171458 0.868226 Ba\n0.218679 0.180703 0.631042 Ba\n0.781321 0.819297 0.368958 Ba\n0.699737 0.862882 0.649427 Re\n0.300263 0.137118 0.350573 Re\n0.761827 0.693646 0.988238 Re\n0.238173 0.306354 0.011762 Re\n0.284281 0.872458 0.852776 Re\n0.715719 0.127542 0.147224 Re\n0.236487 0.697443 0.508504 Re\n0.763513 0.302557 0.491496 Re\n0.162700 0.029852 0.799058 O\n0.837300 0.970148 0.200942 O\n0.513560 0.921264 0.838764 O\n0.486440 0.078736 0.161236 O\n0.080409 0.647079 0.437094 O\n0.919591 0.352921 0.562906 O\n0.767779 0.849728 0.540188 O\n0.232221 0.150272 0.459812 O\n0.711824 0.494267 0.942242 O\n0.288176 0.505733 0.057758 O\n0.177719 0.971448 0.304154 O\n0.822281 0.028552 0.695846 O\n0.427577 0.785024 0.450560 O\n0.572423 0.214976 0.549440 O\n0.082853 0.333591 0.937055 O\n0.917147 0.666409 0.062945 O\n0.215152 0.879422 0.962057 O\n0.784848 0.120578 0.037943 O\n0.294811 0.512251 0.565431 O\n0.705189 0.487749 0.434569 O\n0.733854 0.660098 0.695535 O\n0.266146 0.339902 0.304465 O\n0.496912 0.345722 0.748281 O\n0.503088 0.654278 0.251719 O\n0.002702 0.569103 0.246151 O\n0.997298 0.430897 0.753849 O\n0.434490 0.215698 0.960531 O\n0.565510 0.784302 0.039469 O\n0.470127 0.911579 0.661366 O\n0.529873 0.088421 0.338634 O\n0.853590 0.834156 0.907303 O\n0.146410 0.165844 0.092697 O\n0.251708 0.662137 0.816203 O\n0.748292 0.337863 0.183797 O\n0.140639 0.852704 0.580418 O\n0.859361 0.147296 0.419582 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ba",
"Re",
"O"
],
"chemical_system": "Ba-O-Re",
"density": 4.7930659354449965,
"density_atomic": 0.052983838258499255,
"volume": 905.9366323333552,
"volume_molar": 11.365995665732985,
"formula_full": "Ba4 Re8 O36",
"formula_reduced": "BaRe2O9",
"formula_anonymous": "AB2C9",
"energy": -388.3204139,
"energy_per_atom": -8.090008622916667,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:25.615000Z",
"spacegroup": 2
},
{
"id": "mp-754411",
"created_at": "2022-09-04T14:45:15.774172Z",
"structure_string": "Ta4 Fe4 O16\n1.0\n4.561853 0.000003 -0.000006\n0.000007 11.836678 0.000002\n-0.000006 0.000001 4.948814\nTa Fe O\n4 4 16\ndirect\n0.999999 0.172420 0.250000 Ta\n0.000000 0.827580 0.750000 Ta\n0.500000 0.672418 0.249999 Ta\n0.500001 0.327582 0.750000 Ta\n0.500001 0.066648 0.749999 Fe\n0.499997 0.933352 0.250001 Fe\n0.999999 0.433359 0.250002 Fe\n0.000000 0.566641 0.750001 Fe\n0.230061 0.307569 0.072423 O\n0.230061 0.692432 0.572423 O\n0.269937 0.192437 0.572422 O\n0.269936 0.807564 0.072421 O\n0.730064 0.192437 0.927578 O\n0.730064 0.807563 0.427579 O\n0.769940 0.307568 0.427577 O\n0.769939 0.692432 0.927577 O\n0.245478 0.437930 0.585287 O\n0.245478 0.562070 0.085287 O\n0.254522 0.062072 0.085287 O\n0.254521 0.937928 0.585287 O\n0.745479 0.062072 0.414712 O\n0.745479 0.937928 0.914713 O\n0.754522 0.562071 0.414712 O\n0.754523 0.437930 0.914713 O\n",
"nsites": 24,
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"elements": [
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"Fe",
"O"
],
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"density": 7.4765445299907025,
"density_atomic": 0.08981295599562525,
"volume": 267.22202530745153,
"volume_molar": 6.705202710723981,
"formula_full": "Ta4 Fe4 O16",
"formula_reduced": "TaFeO4",
"formula_anonymous": "ABC4",
"energy": -223.82567156,
"energy_per_atom": -9.326069648333332,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:57.572000Z",
"spacegroup": 60
},
{
"id": "mp-1236154",
"created_at": "2022-09-04T14:45:04.496366Z",
"structure_string": "Li1 V4 O10\n1.0\n5.824953 0.142419 1.388414\n1.319105 6.417244 1.498398\n0.334531 0.191917 7.603670\nLi V O\n1 4 10\ndirect\n0.705067 0.957204 0.882038 Li\n0.144794 0.712237 0.570927 V\n0.845445 0.287790 0.427327 V\n0.691877 0.843903 0.368370 V\n0.314002 0.144922 0.619272 V\n0.998008 0.817153 0.380418 O\n0.974119 0.181582 0.622167 O\n0.372130 0.870241 0.530715 O\n0.627523 0.128666 0.439137 O\n0.947832 0.737688 0.768115 O\n0.055718 0.271771 0.242340 O\n0.676310 0.914496 0.149868 O\n0.386985 0.067679 0.823197 O\n0.266994 0.452117 0.565842 O\n0.711946 0.562552 0.425081 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 2.2097659142542168,
"density_atomic": 0.05384739205001245,
"volume": 278.56502290896987,
"volume_molar": 11.183718525136275,
"formula_full": "Li1 V4 O10",
"formula_reduced": "LiV4O10",
"formula_anonymous": "AB4C10",
"energy": -122.78645965,
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"updated_at": "2021-11-28T01:36:46.482000Z",
"spacegroup": 1
},
{
"id": "mp-1220169",
"created_at": "2022-09-04T14:45:05.314058Z",
"structure_string": "Pr1 Er3 Mn8\n1.0\n-2.688138 -4.569141 0.027459\n-2.688138 4.569141 -0.027459\n0.000000 0.050416 -8.578074\nPr Er Mn\n1 3 8\ndirect\n0.665689 0.334311 0.562394 Pr\n0.333001 0.666999 0.435044 Er\n0.333652 0.666348 0.061938 Er\n0.666892 0.333108 0.940936 Er\n0.000899 0.999101 0.497319 Mn\n0.000205 0.999795 0.001550 Mn\n0.165056 0.324255 0.757571 Mn\n0.177439 0.822561 0.754073 Mn\n0.675745 0.834944 0.757571 Mn\n0.834585 0.676391 0.243158 Mn\n0.823227 0.176773 0.245287 Mn\n0.323609 0.165415 0.243158 Mn\n",
"nsites": 12,
"nelements": 3,
"elements": [
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}