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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1714",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1712",
"results": [
{
"id": "mp-1208428",
"created_at": "2022-09-04T14:46:22.956624Z",
"structure_string": "Tb10 Ni4 Bi2\n1.0\n-3.856298 3.856298 6.811127\n3.856298 -3.856298 6.811127\n3.856298 3.856298 -6.811127\nTb Ni Bi\n10 4 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.789837 0.289837 0.812556 Tb\n0.210163 0.710163 0.187444 Tb\n0.477281 0.977281 0.187444 Tb\n0.289837 0.477281 0.500000 Tb\n0.022719 0.210163 0.500000 Tb\n0.522719 0.022719 0.812556 Tb\n0.710163 0.522719 0.500000 Tb\n0.977281 0.789837 0.500000 Tb\n0.133072 0.633072 0.766144 Ni\n0.866928 0.366928 0.233856 Ni\n0.633072 0.866928 0.500000 Ni\n0.366928 0.133072 0.500000 Ni\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Bi"
],
"chemical_system": "Bi-Ni-Tb",
"density": 9.188872341300575,
"density_atomic": 0.039491155279905654,
"volume": 405.15401199572665,
"volume_molar": 15.249340560731214,
"formula_full": "Tb10 Ni4 Bi2",
"formula_reduced": "Tb5Ni2Bi",
"formula_anonymous": "AB2C5",
"energy": -84.40692007,
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"band_gap": 0.0,
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"total_magnetization": 0.003214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.435000Z",
"spacegroup": 140
},
{
"id": "mp-1105460",
"created_at": "2022-09-04T14:40:18.574557Z",
"structure_string": "Tb5 Mo2 O12\n1.0\n3.017754 6.211808 0.000000\n-3.017754 6.211808 0.000000\n0.000000 2.197186 7.028901\nTb Mo O\n5 2 12\ndirect\n0.301306 0.301306 0.362546 Tb\n0.698694 0.698694 0.637454 Tb\n0.307870 0.307870 0.826682 Tb\n0.692130 0.692130 0.173318 Tb\n0.000000 0.000000 0.500000 Tb\n0.753736 0.246264 0.000000 Mo\n0.246264 0.753736 0.000000 Mo\n0.898861 0.432611 0.915574 O\n0.432611 0.898861 0.915574 O\n0.101139 0.567389 0.084426 O\n0.567389 0.101139 0.084426 O\n0.095642 0.596936 0.574333 O\n0.596936 0.095642 0.574333 O\n0.904358 0.403064 0.425667 O\n0.403064 0.904358 0.425667 O\n0.002519 0.002519 0.812426 O\n0.997481 0.997481 0.187574 O\n0.499691 0.499691 0.805660 O\n0.500309 0.500309 0.194340 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Mo",
"O"
],
"chemical_system": "Mo-O-Tb",
"density": 7.426073415451696,
"density_atomic": 0.0720998433075833,
"volume": 263.5234575884525,
"volume_molar": 8.352501869260795,
"formula_full": "Tb5 Mo2 O12",
"formula_reduced": "Tb5(MoO6)2",
"formula_anonymous": "A2B5C12",
"energy": -167.45157781999998,
"energy_per_atom": -8.813240937894737,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -152.80357782,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0013637,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.431000Z",
"spacegroup": 12
},
{
"id": "mp-1192763",
"created_at": "2022-09-04T14:48:25.729234Z",
"structure_string": "Tb5 Mg24\n1.0\n-5.642386 5.642386 5.642386\n5.642386 -5.642386 5.642386\n5.642386 5.642386 -5.642386\nTb Mg\n5 24\ndirect\n0.000000 0.000000 0.000000 Tb\n0.627640 0.000000 0.000000 Tb\n0.000000 0.627640 0.000000 Tb\n0.000000 0.000000 0.627640 Tb\n0.372360 0.372360 0.372360 Tb\n0.390441 0.675323 0.000000 Mg\n0.715117 0.324676 0.324676 Mg\n0.390441 0.000000 0.675324 Mg\n0.675323 0.390441 0.000000 Mg\n0.000000 0.390441 0.675324 Mg\n0.324676 0.715117 0.324676 Mg\n0.324676 0.324676 0.715117 Mg\n0.000000 0.675323 0.390441 Mg\n0.675323 0.000000 0.390441 Mg\n0.609559 0.609559 0.284883 Mg\n0.284883 0.609559 0.609559 Mg\n0.609559 0.284883 0.609559 Mg\n0.369706 0.190403 0.000000 Mg\n0.179303 0.809597 0.809597 Mg\n0.369706 0.000000 0.190403 Mg\n0.190403 0.369706 0.000000 Mg\n0.000000 0.369706 0.190403 Mg\n0.809597 0.179303 0.809597 Mg\n0.809597 0.809597 0.179303 Mg\n0.000000 0.190403 0.369706 Mg\n0.190403 0.000000 0.369706 Mg\n0.630294 0.630294 0.820697 Mg\n0.820697 0.630294 0.630294 Mg\n0.630294 0.820697 0.630294 Mg\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 3.184440665036635,
"density_atomic": 0.04035985774247295,
"volume": 718.5357338235033,
"volume_molar": 14.921114931638035,
"formula_full": "Tb5 Mg24",
"formula_reduced": "Tb5Mg24",
"formula_anonymous": "A5B24",
"energy": -62.80353427,
"energy_per_atom": -2.1656391127586208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -62.80353427,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0046828,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:28.509000Z",
"spacegroup": 217
},
{
"id": "mp-1186862",
"created_at": "2022-09-04T14:40:19.061592Z",
"structure_string": "Tb5 Mg1\n1.0\n5.868931 -3.080691 0.000000\n5.868931 3.080691 0.000000\n4.251829 0.000000 5.084973\nTb Mg\n5 1\ndirect\n0.659549 0.340451 0.000000 Tb\n0.000000 0.659549 0.340451 Tb\n0.340451 0.000000 0.659549 Tb\n0.831962 0.831962 0.831962 Tb\n0.168038 0.168038 0.168038 Tb\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.395559170764151,
"density_atomic": 0.032630630091439246,
"volume": 183.87631446853734,
"volume_molar": 18.455484135992606,
"formula_full": "Tb5 Mg1",
"formula_reduced": "Tb5Mg",
"formula_anonymous": "AB5",
"energy": -24.68180615,
"energy_per_atom": -4.113634358333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -24.68180615,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1160422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.094000Z",
"spacegroup": 155
},
{
"id": "mp-1187320",
"created_at": "2022-09-04T14:42:26.362260Z",
"structure_string": "Tb5 Mg1\n1.0\n1.796602 -9.143253 0.000000\n1.796602 9.143253 0.000000\n0.000000 0.000000 5.640807\nTb Mg\n5 1\ndirect\n0.001484 0.998516 0.000000 Tb\n0.671094 0.328906 0.000000 Tb\n0.332286 0.667714 0.000000 Tb\n0.554582 0.445418 0.500000 Tb\n0.884985 0.115015 0.500000 Tb\n0.222239 0.777761 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 7.337919689501848,
"density_atomic": 0.03237631360930388,
"volume": 185.32066597834654,
"volume_molar": 18.600452270975765,
"formula_full": "Tb5 Mg1",
"formula_reduced": "Tb5Mg",
"formula_anonymous": "AB5",
"energy": -24.53863425,
"energy_per_atom": -4.089772375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.53863425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8291327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.650000Z",
"spacegroup": 38
},
{
"id": "mp-1197952",
"created_at": "2022-09-04T14:42:55.029577Z",
"structure_string": "Tb40 Ir8 Br72\n1.0\n13.056371 -0.000000 0.000000\n0.000000 13.056371 0.000000\n-6.528186 -6.528186 23.173487\nTb Ir Br\n40 8 72\ndirect\n0.352783 0.506820 0.421881 Tb\n0.069098 0.415060 0.421881 Tb\n0.006820 0.569098 0.921881 Tb\n0.915060 0.852783 0.921881 Tb\n0.647217 0.493180 0.578119 Tb\n0.930902 0.584940 0.578119 Tb\n0.993180 0.430902 0.078119 Tb\n0.084940 0.147217 0.078119 Tb\n0.477336 0.359137 0.310800 Tb\n0.833463 0.451662 0.310800 Tb\n0.859137 0.333463 0.810800 Tb\n0.951662 0.977336 0.810800 Tb\n0.522664 0.640863 0.689200 Tb\n0.166537 0.548338 0.689200 Tb\n0.140863 0.666537 0.189200 Tb\n0.048338 0.022664 0.189200 Tb\n0.390545 0.628089 0.307488 Tb\n0.916944 0.179400 0.307488 Tb\n0.128089 0.416944 0.807488 Tb\n0.679400 0.890545 0.807488 Tb\n0.609455 0.371911 0.692512 Tb\n0.083056 0.820600 0.692512 Tb\n0.871911 0.583056 0.192512 Tb\n0.320600 0.109455 0.192512 Tb\n0.108140 0.570171 0.317299 Tb\n0.209159 0.247128 0.317299 Tb\n0.070171 0.709159 0.817299 Tb\n0.747128 0.608140 0.817299 Tb\n0.891860 0.429829 0.682701 Tb\n0.790841 0.752872 0.682701 Tb\n0.929829 0.290841 0.182701 Tb\n0.252872 0.391860 0.182701 Tb\n0.564236 0.917253 0.432555 Tb\n0.868319 0.015301 0.432555 Tb\n0.417253 0.368319 0.932555 Tb\n0.515301 0.064236 0.932555 Tb\n0.435764 0.082747 0.567445 Tb\n0.131681 0.984699 0.567445 Tb\n0.582747 0.631681 0.067445 Tb\n0.484699 0.935764 0.067445 Tb\n0.283676 0.443342 0.304555 Ir\n0.020879 0.361213 0.304555 Ir\n0.943342 0.520879 0.804555 Ir\n0.861213 0.783676 0.804555 Ir\n0.716324 0.556658 0.695445 Ir\n0.979121 0.638787 0.695445 Ir\n0.056658 0.479121 0.195445 Ir\n0.138787 0.216324 0.195445 Ir\n0.272570 0.325289 0.450739 Br\n0.178169 0.625450 0.450739 Br\n0.825289 0.678169 0.950739 Br\n0.125450 0.772570 0.950739 Br\n0.727430 0.674711 0.549261 Br\n0.821831 0.374550 0.549261 Br\n0.174711 0.321831 0.049261 Br\n0.874550 0.227430 0.049261 Br\n0.459145 0.281191 0.187576 Br\n0.728431 0.406384 0.187576 Br\n0.781192 0.228431 0.687576 Br\n0.906384 0.959145 0.687576 Br\n0.540855 0.718808 0.812424 Br\n0.271569 0.593616 0.812424 Br\n0.218808 0.771569 0.312424 Br\n0.093616 0.040855 0.312424 Br\n0.354541 0.607601 0.185085 Br\n0.830544 0.077484 0.185085 Br\n0.107601 0.330544 0.685085 Br\n0.577484 0.854541 0.685085 Br\n0.645459 0.392399 0.814915 Br\n0.169456 0.922516 0.814915 Br\n0.892399 0.669456 0.314915 Br\n0.422516 0.145459 0.314915 Br\n0.553896 0.414906 0.437408 Br\n0.883512 0.522502 0.437408 Br\n0.914906 0.383512 0.937408 Br\n0.022502 0.053896 0.937408 Br\n0.446104 0.585094 0.562592 Br\n0.116488 0.477498 0.562592 Br\n0.085094 0.616488 0.062592 Br\n0.977498 0.946104 0.062592 Br\n0.600863 0.543831 0.315092 Br\n0.714229 0.271261 0.315092 Br\n0.043831 0.214229 0.815092 Br\n0.771261 0.100863 0.815092 Br\n0.399137 0.456169 0.684908 Br\n0.285771 0.728739 0.684908 Br\n0.956169 0.785771 0.184908 Br\n0.228739 0.899137 0.184908 Br\n0.462448 0.715934 0.433403 Br\n0.970954 0.217469 0.433403 Br\n0.215934 0.470954 0.933403 Br\n0.717469 0.962448 0.933403 Br\n0.537552 0.284066 0.566597 Br\n0.029046 0.782531 0.566597 Br\n0.784066 0.529046 0.066597 Br\n0.282531 0.037552 0.066597 Br\n0.504848 0.836243 0.315432 Br\n0.810584 0.979188 0.315432 Br\n0.336243 0.310584 0.815432 Br\n0.479188 0.004848 0.815432 Br\n0.495152 0.163757 0.684568 Br\n0.189416 0.020812 0.684568 Br\n0.663757 0.689416 0.184568 Br\n0.520812 0.995152 0.184568 Br\n0.673483 0.106685 0.438372 Br\n0.764888 0.831687 0.438372 Br\n0.606685 0.264888 0.938372 Br\n0.331687 0.173483 0.938372 Br\n0.326517 0.893315 0.561628 Br\n0.235112 0.168313 0.561628 Br\n0.393315 0.735112 0.061628 Br\n0.668313 0.826517 0.061628 Br\n0.382977 0.028103 0.443700 Br\n0.060723 0.915597 0.443700 Br\n0.528103 0.560723 0.943700 Br\n0.415597 0.882977 0.943700 Br\n0.617023 0.971897 0.556300 Br\n0.939277 0.084403 0.556300 Br\n0.471897 0.439277 0.056300 Br\n0.584403 0.117023 0.056300 Br\n",
"nsites": 120,
"nelements": 3,
"elements": [
"Tb",
"Ir",
"Br"
],
"chemical_system": "Br-Ir-Tb",
"density": 5.736891064250034,
"density_atomic": 0.030377000833953994,
"volume": 3950.357069677188,
"volume_molar": 19.824671938214298,
"formula_full": "Tb40 Ir8 Br72",
"formula_reduced": "Tb5IrBr9",
"formula_anonymous": "AB5C9",
"energy": -615.74148886,
"energy_per_atom": -5.131179073833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -577.29348886,
"band_gap": 0.6820999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.45e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.981000Z",
"spacegroup": 88
},
{
"id": "mp-1201266",
"created_at": "2022-09-04T14:41:55.544016Z",
"structure_string": "Tb20 Ir12\n1.0\n10.960530 0.000000 0.000000\n0.000000 10.960530 0.000000\n0.000000 0.000000 6.398695\nTb Ir\n20 12\ndirect\n0.291055 0.088329 0.378548 Tb\n0.291055 0.911671 0.878548 Tb\n0.708945 0.088329 0.878548 Tb\n0.708945 0.911671 0.378548 Tb\n0.588329 0.791055 0.878548 Tb\n0.588329 0.208945 0.378548 Tb\n0.411671 0.791055 0.378548 Tb\n0.411671 0.208945 0.878548 Tb\n0.208945 0.411671 0.621452 Tb\n0.208945 0.588329 0.121452 Tb\n0.791055 0.411671 0.121452 Tb\n0.791055 0.588329 0.621452 Tb\n0.911671 0.708945 0.121452 Tb\n0.911671 0.291055 0.621452 Tb\n0.088329 0.708945 0.621452 Tb\n0.088329 0.291055 0.121452 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.846279 0.153721 0.250000 Ir\n0.846279 0.846279 0.750000 Ir\n0.153721 0.153721 0.750000 Ir\n0.153721 0.846279 0.250000 Ir\n0.653721 0.346279 0.750000 Ir\n0.653721 0.653721 0.250000 Ir\n0.346279 0.346279 0.250000 Ir\n0.346279 0.653721 0.750000 Ir\n0.500000 0.000000 0.120285 Ir\n0.500000 0.000000 0.620285 Ir\n0.000000 0.500000 0.879715 Ir\n0.000000 0.500000 0.379715 Ir\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tb",
"Ir"
],
"chemical_system": "Ir-Tb",
"density": 11.848953586303056,
"density_atomic": 0.04162895015547823,
"volume": 768.6958205884255,
"volume_molar": 14.466232603772514,
"formula_full": "Tb20 Ir12",
"formula_reduced": "Tb5Ir3",
"formula_anonymous": "A3B5",
"energy": -224.01400466,
"energy_per_atom": -7.000437645625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -224.01400466,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0023907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.701000Z",
"spacegroup": 130
},
{
"id": "mp-1188649",
"created_at": "2022-09-04T14:47:01.091216Z",
"structure_string": "Tb10 Ir6\n1.0\n4.173450 -7.228627 0.000000\n4.173450 7.228627 0.000000\n0.000000 0.000000 6.281250\nTb Ir\n10 6\ndirect\n0.666667 0.333333 0.500000 Tb\n0.333333 0.666667 0.500000 Tb\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.000000 Tb\n0.739341 0.739341 0.250000 Tb\n0.260659 0.000000 0.250000 Tb\n0.000000 0.260659 0.250000 Tb\n0.260659 0.260659 0.750000 Tb\n0.739341 0.000000 0.750000 Tb\n0.000000 0.739341 0.750000 Tb\n0.389388 0.389388 0.250000 Ir\n0.610612 0.000000 0.250000 Ir\n0.000000 0.610612 0.250000 Ir\n0.610612 0.610612 0.750000 Ir\n0.389388 0.000000 0.750000 Ir\n0.000000 0.389388 0.750000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ir"
],
"chemical_system": "Ir-Tb",
"density": 12.016484132484129,
"density_atomic": 0.04221753552765437,
"volume": 378.9894364989469,
"volume_molar": 14.264548332185873,
"formula_full": "Tb10 Ir6",
"formula_reduced": "Tb5Ir3",
"formula_anonymous": "A3B5",
"energy": -111.37580179,
"energy_per_atom": -6.960987611875,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -111.37580179,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0442018,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.182000Z",
"spacegroup": 193
},
{
"id": "mp-1103978",
"created_at": "2022-09-04T14:48:07.821947Z",
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{
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{
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{
"id": "mp-1191784",
"created_at": "2022-09-04T14:40:36.716948Z",
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}