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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=1761",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=1759",
"results": [
{
"id": "mp-1208455",
"created_at": "2022-09-04T14:39:31.224033Z",
"structure_string": "Tb16 Cd4 Ni4\n1.0\n0.000000 6.785143 6.785143\n6.785143 0.000000 6.785143\n6.785143 6.785143 0.000000\nTb Cd Ni\n16 4 4\ndirect\n0.348416 0.348416 0.348416 Tb\n0.348416 0.348416 0.954752 Tb\n0.348416 0.954752 0.348416 Tb\n0.954752 0.348416 0.348416 Tb\n0.811541 0.188459 0.188459 Tb\n0.188459 0.811541 0.811541 Tb\n0.188459 0.811541 0.188459 Tb\n0.811541 0.188459 0.811541 Tb\n0.188459 0.188459 0.811541 Tb\n0.811541 0.811541 0.188459 Tb\n0.936236 0.563764 0.563764 Tb\n0.563764 0.936236 0.936236 Tb\n0.563764 0.936236 0.563764 Tb\n0.936236 0.563764 0.936236 Tb\n0.563764 0.563764 0.936236 Tb\n0.936236 0.936236 0.563764 Tb\n0.581437 0.581437 0.581437 Cd\n0.581437 0.581437 0.255688 Cd\n0.581437 0.255688 0.581437 Cd\n0.255688 0.581437 0.581437 Cd\n0.142311 0.142311 0.142311 Ni\n0.142311 0.142311 0.573067 Ni\n0.142311 0.573067 0.142311 Ni\n0.573067 0.142311 0.142311 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Ni"
],
"chemical_system": "Cd-Ni-Tb",
"density": 8.577704673802318,
"density_atomic": 0.03841530015862457,
"volume": 624.7510731635346,
"volume_molar": 15.676412093966096,
"formula_full": "Tb16 Cd4 Ni4",
"formula_reduced": "Tb4CdNi",
"formula_anonymous": "ABC4",
"energy": -107.92302687,
"energy_per_atom": -4.49679278625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.92302687,
"band_gap": 0.0604,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.530000Z",
"spacegroup": 216
},
{
"id": "mp-1208463",
"created_at": "2022-09-04T14:44:04.589039Z",
"structure_string": "Tb16 Cd4 Ir4\n1.0\n0.000000 6.855015 6.855015\n6.855015 0.000000 6.855015\n6.855015 6.855015 0.000000\nTb Cd Ir\n16 4 4\ndirect\n0.598948 0.598948 0.598948 Tb\n0.598948 0.598948 0.203157 Tb\n0.598948 0.203157 0.598948 Tb\n0.203157 0.598948 0.598948 Tb\n0.060816 0.439184 0.439184 Tb\n0.439184 0.060816 0.060816 Tb\n0.439184 0.060816 0.439184 Tb\n0.060816 0.439184 0.060816 Tb\n0.439184 0.439184 0.060816 Tb\n0.060816 0.060816 0.439184 Tb\n0.187228 0.812772 0.812772 Tb\n0.812772 0.187228 0.187228 Tb\n0.812772 0.187228 0.812772 Tb\n0.187228 0.812772 0.187228 Tb\n0.812772 0.812772 0.187228 Tb\n0.187228 0.187228 0.812772 Tb\n0.831203 0.831203 0.831203 Cd\n0.831203 0.831203 0.506392 Cd\n0.831203 0.506392 0.831203 Cd\n0.506392 0.831203 0.831203 Cd\n0.391933 0.391933 0.391933 Ir\n0.391933 0.391933 0.824201 Ir\n0.391933 0.824201 0.391933 Ir\n0.824201 0.391933 0.391933 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Tb",
"density": 9.694688953105098,
"density_atomic": 0.03725255098066175,
"volume": 644.2511819515042,
"volume_molar": 16.16571376045138,
"formula_full": "Tb16 Cd4 Ir4",
"formula_reduced": "Tb4CdIr",
"formula_anonymous": "ABC4",
"energy": -125.6378771,
"energy_per_atom": -5.2349115458333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.6378771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.457000Z",
"spacegroup": 216
},
{
"id": "mp-570592",
"created_at": "2022-09-04T14:42:26.777192Z",
"structure_string": "Tb16 Cd4 Co4\n1.0\n0.000000 6.744512 6.744512\n6.744512 0.000000 6.744512\n6.744512 6.744512 0.000000\nTb Cd Co\n16 4 4\ndirect\n0.438542 0.438542 0.061458 Tb\n0.596489 0.596489 0.596489 Tb\n0.188302 0.811698 0.811698 Tb\n0.061458 0.061458 0.438542 Tb\n0.438542 0.061458 0.061458 Tb\n0.811698 0.188302 0.811698 Tb\n0.438542 0.061458 0.438542 Tb\n0.596489 0.210533 0.596489 Tb\n0.811698 0.811698 0.188302 Tb\n0.210533 0.596489 0.596489 Tb\n0.811698 0.188302 0.188302 Tb\n0.061458 0.438542 0.438542 Tb\n0.188302 0.811698 0.188302 Tb\n0.596489 0.596489 0.210533 Tb\n0.188302 0.188302 0.811698 Tb\n0.061458 0.438542 0.061458 Tb\n0.830328 0.830328 0.509015 Cd\n0.830328 0.830328 0.830328 Cd\n0.509015 0.830328 0.830328 Cd\n0.830328 0.509015 0.830328 Cd\n0.391035 0.391035 0.391035 Co\n0.826896 0.391035 0.391035 Co\n0.391035 0.826896 0.391035 Co\n0.391035 0.391035 0.826896 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Co"
],
"chemical_system": "Cd-Co-Tb",
"density": 8.73626037790525,
"density_atomic": 0.039113767590742456,
"volume": 613.5946874542553,
"volume_molar": 15.396473239323882,
"formula_full": "Tb16 Cd4 Co4",
"formula_reduced": "Tb4CdCo",
"formula_anonymous": "ABC4",
"energy": -112.09714725,
"energy_per_atom": -4.67071446875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.09714725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.181000Z",
"spacegroup": 216
},
{
"id": "mp-1208505",
"created_at": "2022-09-04T14:46:08.329624Z",
"structure_string": "Tb16 C8 Br12\n1.0\n3.712030 0.000000 0.000000\n0.000000 10.805966 0.000000\n0.000000 0.000000 20.487736\nTb C Br\n16 8 12\ndirect\n0.250000 0.863286 0.578819 Tb\n0.750000 0.136714 0.421181 Tb\n0.750000 0.636714 0.078819 Tb\n0.250000 0.363286 0.921181 Tb\n0.250000 0.862075 0.743603 Tb\n0.750000 0.137925 0.256397 Tb\n0.750000 0.637925 0.243603 Tb\n0.250000 0.362075 0.756397 Tb\n0.250000 0.871771 0.167435 Tb\n0.750000 0.128229 0.832565 Tb\n0.750000 0.628229 0.667435 Tb\n0.250000 0.371771 0.332565 Tb\n0.250000 0.902496 0.328393 Tb\n0.750000 0.097504 0.671607 Tb\n0.750000 0.597504 0.828393 Tb\n0.250000 0.402496 0.171607 Tb\n0.250000 0.611818 0.749780 C\n0.750000 0.388182 0.250220 C\n0.750000 0.888182 0.249780 C\n0.250000 0.111818 0.750220 C\n0.250000 0.637094 0.155046 C\n0.750000 0.362906 0.844954 C\n0.750000 0.862906 0.655046 C\n0.250000 0.137094 0.344954 C\n0.250000 0.610377 0.552823 Br\n0.750000 0.389623 0.447177 Br\n0.750000 0.889623 0.052823 Br\n0.250000 0.110377 0.947177 Br\n0.250000 0.626586 0.952050 Br\n0.750000 0.373414 0.047950 Br\n0.750000 0.873414 0.452050 Br\n0.250000 0.126586 0.547950 Br\n0.250000 0.638772 0.356408 Br\n0.750000 0.361228 0.643592 Br\n0.750000 0.861228 0.856408 Br\n0.250000 0.138772 0.143592 Br\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"C",
"Br"
],
"chemical_system": "Br-C-Tb",
"density": 7.269586895185223,
"density_atomic": 0.04380598572402037,
"volume": 821.8054999789658,
"volume_molar": 13.747301106154193,
"formula_full": "Tb16 C8 Br12",
"formula_reduced": "Tb4C2Br3",
"formula_anonymous": "A2B3C4",
"energy": -215.68873886,
"energy_per_atom": -5.991353857222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.28073886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.996000Z",
"spacegroup": 62
},
{
"id": "mp-1199026",
"created_at": "2022-09-04T14:40:25.306564Z",
"structure_string": "Tb16 B4 Cl4 O28\n1.0\n8.132768 0.000000 0.000000\n0.000000 8.708441 0.000000\n0.000000 6.393778 10.658211\nTb B Cl O\n16 4 4 28\ndirect\n0.628556 0.799465 0.219386 Tb\n0.871444 0.799465 0.719386 Tb\n0.371444 0.200535 0.780614 Tb\n0.128556 0.200535 0.280614 Tb\n0.616946 0.417966 0.913570 Tb\n0.883054 0.417966 0.413570 Tb\n0.383054 0.582034 0.086430 Tb\n0.116946 0.582034 0.586430 Tb\n0.635782 0.573170 0.580270 Tb\n0.864218 0.573170 0.080270 Tb\n0.364218 0.426830 0.419730 Tb\n0.135782 0.426830 0.919730 Tb\n0.615746 0.184631 0.278525 Tb\n0.884254 0.184631 0.778525 Tb\n0.384254 0.815369 0.721475 Tb\n0.115746 0.815369 0.221475 Tb\n0.872171 0.868725 0.412937 B\n0.627829 0.868725 0.912937 B\n0.127829 0.131275 0.587063 B\n0.372171 0.131275 0.087063 B\n0.863259 0.118144 0.036760 Cl\n0.636741 0.118144 0.536760 Cl\n0.136741 0.881856 0.963240 Cl\n0.363259 0.881856 0.463240 Cl\n0.622863 0.541319 0.403295 O\n0.877137 0.541319 0.903295 O\n0.377137 0.458681 0.596705 O\n0.122863 0.458681 0.096705 O\n0.635695 0.306056 0.777198 O\n0.864305 0.306056 0.277198 O\n0.364305 0.693944 0.222802 O\n0.135695 0.693944 0.722802 O\n0.615507 0.674704 0.720951 O\n0.884493 0.674704 0.220951 O\n0.384493 0.325296 0.279049 O\n0.115507 0.325296 0.779049 O\n0.623861 0.434719 0.091586 O\n0.876139 0.434719 0.591586 O\n0.376139 0.565281 0.908414 O\n0.123861 0.565281 0.408414 O\n0.881234 0.778012 0.542923 O\n0.618766 0.778012 0.042923 O\n0.118766 0.221988 0.457077 O\n0.381234 0.221988 0.957077 O\n0.013932 0.923582 0.343133 O\n0.486068 0.923582 0.843133 O\n0.986068 0.076418 0.656867 O\n0.513932 0.076418 0.156867 O\n0.719680 0.891067 0.358285 O\n0.780320 0.891067 0.858285 O\n0.280320 0.108933 0.641715 O\n0.219680 0.108933 0.141715 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Tb",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Tb",
"density": 6.986268251120434,
"density_atomic": 0.06888746963060315,
"volume": 754.854261287877,
"volume_molar": 8.741997336079644,
"formula_full": "Tb16 B4 Cl4 O28",
"formula_reduced": "Tb4BClO7",
"formula_anonymous": "ABC4D7",
"energy": -440.3107266,
"energy_per_atom": -8.467513973076922,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -418.61872660000006,
"band_gap": 4.7323,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.612000Z",
"spacegroup": 14
},
{
"id": "mp-29847",
"created_at": "2022-09-04T14:45:39.125327Z",
"structure_string": "Tb16 B4 Br24\n1.0\n5.669917 9.209121 0.000000\n-5.669917 9.209121 0.000000\n0.000000 1.384556 12.604224\nTb B Br\n16 4 24\ndirect\n0.710656 0.470451 0.191809 Tb\n0.529549 0.289344 0.308191 Tb\n0.289344 0.529549 0.808191 Tb\n0.470451 0.710656 0.691809 Tb\n0.783324 0.543727 0.454546 Tb\n0.456273 0.216676 0.045454 Tb\n0.216676 0.456273 0.545454 Tb\n0.543727 0.783324 0.954546 Tb\n0.581624 0.359083 0.588127 Tb\n0.640917 0.418376 0.911873 Tb\n0.418376 0.640917 0.411873 Tb\n0.359083 0.581624 0.088127 Tb\n0.116061 0.811484 0.604161 Tb\n0.188516 0.883939 0.895839 Tb\n0.883939 0.188516 0.395839 Tb\n0.811484 0.116061 0.104161 Tb\n0.660632 0.412353 0.394717 B\n0.587647 0.339368 0.105283 B\n0.339368 0.587647 0.605283 B\n0.412353 0.660632 0.894717 B\n0.144101 0.379436 0.746970 Br\n0.620564 0.855899 0.753030 Br\n0.855899 0.620564 0.253030 Br\n0.379436 0.144101 0.246970 Br\n0.158441 0.913727 0.396525 Br\n0.086273 0.841559 0.103475 Br\n0.841559 0.086273 0.603475 Br\n0.913727 0.158441 0.896525 Br\n0.052200 0.308144 0.466467 Br\n0.691856 0.947800 0.033533 Br\n0.947800 0.691856 0.533533 Br\n0.308144 0.052200 0.966467 Br\n0.983020 0.225273 0.181132 Br\n0.774727 0.016980 0.318868 Br\n0.016980 0.774727 0.818868 Br\n0.225273 0.983020 0.681132 Br\n0.469215 0.747231 0.185025 Br\n0.252769 0.530785 0.314975 Br\n0.530785 0.252769 0.814975 Br\n0.747231 0.469215 0.685025 Br\n0.806081 0.545064 0.974912 Br\n0.454936 0.193919 0.525088 Br\n0.193919 0.454936 0.025088 Br\n0.545064 0.806081 0.474912 Br\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 5.681747887545505,
"density_atomic": 0.03342809958786456,
"volume": 1316.2578950785874,
"volume_molar": 18.015205274146737,
"formula_full": "Tb16 B4 Br24",
"formula_reduced": "Tb4BBr6",
"formula_anonymous": "AB4C6",
"energy": -220.22167396,
"energy_per_atom": -5.005038044545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.40567396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0265552,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.951000Z",
"spacegroup": 15
},
{
"id": "mp-29954",
"created_at": "2022-09-04T14:48:10.422187Z",
"structure_string": "Tb16 B4 Br23\n1.0\n6.088934 8.921487 0.000000\n-6.088934 8.921487 0.000000\n0.000000 3.016547 11.783891\nTb B Br\n16 4 23\ndirect\n0.188557 0.188557 0.272645 Tb\n0.811443 0.811443 0.727355 Tb\n0.191432 0.804242 0.849625 Tb\n0.195758 0.808568 0.150375 Tb\n0.808568 0.195758 0.150375 Tb\n0.804242 0.191432 0.849625 Tb\n0.515075 0.808809 0.629490 Tb\n0.191191 0.484925 0.370510 Tb\n0.484925 0.191191 0.370510 Tb\n0.808809 0.515075 0.629490 Tb\n0.202653 0.501031 0.062789 Tb\n0.498969 0.797347 0.937211 Tb\n0.797347 0.498969 0.937211 Tb\n0.501031 0.202653 0.062789 Tb\n0.493965 0.493965 0.149516 Tb\n0.506035 0.506035 0.850484 Tb\n0.333378 0.333378 0.227111 B\n0.666622 0.666622 0.772889 B\n0.330808 0.669192 0.000000 B\n0.669192 0.330808 0.000000 B\n0.000000 0.000000 0.000000 Br\n0.014413 0.014413 0.307204 Br\n0.985587 0.985587 0.692796 Br\n0.666784 0.666784 0.112820 Br\n0.333216 0.333216 0.887180 Br\n0.659374 0.998074 0.558492 Br\n0.001926 0.340626 0.441508 Br\n0.340626 0.001926 0.441508 Br\n0.998074 0.659374 0.558492 Br\n0.662134 0.331809 0.665015 Br\n0.668191 0.337866 0.334985 Br\n0.337866 0.668191 0.334985 Br\n0.659217 0.997159 0.894431 Br\n0.002841 0.340783 0.105569 Br\n0.340783 0.002841 0.105569 Br\n0.997159 0.659217 0.894431 Br\n0.672545 0.002258 0.223491 Br\n0.997742 0.327455 0.776509 Br\n0.327455 0.997742 0.776509 Br\n0.002258 0.672545 0.223491 Br\n0.664807 0.664807 0.450021 Br\n0.335193 0.335193 0.549979 Br\n0.331809 0.662134 0.665015 Br\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Tb",
"B",
"Br"
],
"chemical_system": "B-Br-Tb",
"density": 5.737879715207268,
"density_atomic": 0.0335870011891323,
"volume": 1280.257197058529,
"volume_molar": 17.929974534161673,
"formula_full": "Tb16 B4 Br23",
"formula_reduced": "Tb16B4Br23",
"formula_anonymous": "A4B16C23",
"energy": -215.54513514,
"energy_per_atom": -5.012677561395349,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -203.26313514,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0298666,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.972000Z",
"spacegroup": 12
},
{
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}
]
}