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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1713",
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"results": [
{
"id": "mp-1104420",
"created_at": "2022-09-04T14:46:38.147024Z",
"structure_string": "Tb10 Ru4\n1.0\n0.000000 6.381871 0.000000\n0.009502 0.000000 7.310350\n7.867213 -3.190936 -0.982081\nTb Ru\n10 4\ndirect\n0.977577 0.915752 0.186674 Tb\n0.790903 0.584248 0.813326 Tb\n0.022423 0.084248 0.813326 Tb\n0.209097 0.415752 0.186674 Tb\n0.641139 0.814106 0.435165 Tb\n0.205974 0.685894 0.564835 Tb\n0.358861 0.185894 0.564835 Tb\n0.794026 0.314106 0.435165 Tb\n0.418799 0.750000 0.000000 Tb\n0.581201 0.250000 0.000000 Tb\n0.822517 0.575689 0.220110 Ru\n0.602407 0.924311 0.779890 Ru\n0.177483 0.424311 0.779890 Ru\n0.397593 0.075689 0.220110 Ru\n",
"nsites": 14,
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"elements": [
"Tb",
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"density": 9.0176852701357,
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"volume": 367.09423296118376,
"volume_molar": 15.790665307689144,
"formula_full": "Tb10 Ru4",
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"energy": -88.19419252,
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"updated_at": "2021-11-28T01:37:42.816000Z",
"spacegroup": 15
},
{
"id": "mp-1203586",
"created_at": "2022-09-04T14:43:11.725583Z",
"structure_string": "Tb40 Rh8 Br72\n1.0\n12.997989 -0.000000 0.000000\n0.000000 12.997989 0.000000\n-6.498995 -6.498995 23.177617\nTb Rh Br\n40 8 72\ndirect\n0.353825 0.507337 0.423095 Tb\n0.069270 0.415758 0.423095 Tb\n0.007337 0.569270 0.923095 Tb\n0.915758 0.853825 0.923095 Tb\n0.646175 0.492663 0.576905 Tb\n0.930730 0.584242 0.576905 Tb\n0.992663 0.430730 0.076905 Tb\n0.084242 0.146175 0.076905 Tb\n0.480022 0.358875 0.311036 Tb\n0.831014 0.452161 0.311036 Tb\n0.858875 0.331014 0.811036 Tb\n0.952161 0.980022 0.811036 Tb\n0.519978 0.641125 0.688964 Tb\n0.168986 0.547839 0.688964 Tb\n0.141125 0.668986 0.188964 Tb\n0.047839 0.019978 0.188964 Tb\n0.391729 0.629887 0.307659 Tb\n0.915930 0.177773 0.307659 Tb\n0.129887 0.415930 0.807659 Tb\n0.677773 0.891729 0.807659 Tb\n0.608271 0.370113 0.692341 Tb\n0.084070 0.822227 0.692341 Tb\n0.870113 0.584070 0.192341 Tb\n0.322227 0.108271 0.192341 Tb\n0.108605 0.566332 0.315879 Tb\n0.207274 0.249547 0.315879 Tb\n0.066332 0.707274 0.815879 Tb\n0.749547 0.608605 0.815879 Tb\n0.891395 0.433668 0.684121 Tb\n0.792726 0.750453 0.684121 Tb\n0.933668 0.292726 0.184121 Tb\n0.250453 0.391395 0.184121 Tb\n0.564590 0.917967 0.433027 Tb\n0.868437 0.015060 0.433027 Tb\n0.417967 0.368437 0.933027 Tb\n0.515060 0.064590 0.933027 Tb\n0.435410 0.082033 0.566973 Tb\n0.131563 0.984940 0.566973 Tb\n0.582033 0.631563 0.066973 Tb\n0.484940 0.935410 0.066973 Tb\n0.286212 0.444488 0.305301 Rh\n0.019089 0.360813 0.305301 Rh\n0.944488 0.519089 0.805301 Rh\n0.860813 0.786212 0.805301 Rh\n0.713788 0.555512 0.694699 Rh\n0.980911 0.639187 0.694699 Rh\n0.055512 0.480911 0.194699 Rh\n0.139187 0.213788 0.194699 Rh\n0.272897 0.322653 0.449667 Br\n0.176769 0.627014 0.449667 Br\n0.822653 0.676769 0.949667 Br\n0.127014 0.772897 0.949667 Br\n0.727103 0.677347 0.550333 Br\n0.823231 0.372986 0.550333 Br\n0.177347 0.323231 0.050333 Br\n0.872986 0.227103 0.050333 Br\n0.458385 0.282726 0.186902 Br\n0.728517 0.404176 0.186902 Br\n0.782726 0.228517 0.686902 Br\n0.904176 0.958385 0.686902 Br\n0.541615 0.717274 0.813098 Br\n0.271483 0.595824 0.813098 Br\n0.217274 0.771483 0.313098 Br\n0.095824 0.041615 0.313098 Br\n0.354825 0.605533 0.184384 Br\n0.829560 0.078851 0.184384 Br\n0.105533 0.329560 0.684384 Br\n0.578851 0.854825 0.684384 Br\n0.645175 0.394467 0.815616 Br\n0.170440 0.921149 0.815616 Br\n0.894467 0.670440 0.315616 Br\n0.421149 0.145175 0.315616 Br\n0.556763 0.415738 0.438471 Br\n0.881708 0.522733 0.438471 Br\n0.915738 0.381708 0.938471 Br\n0.022733 0.056763 0.938471 Br\n0.443237 0.584262 0.561529 Br\n0.118292 0.477267 0.561529 Br\n0.084262 0.618292 0.061529 Br\n0.977267 0.943237 0.061529 Br\n0.603220 0.544716 0.314828 Br\n0.711608 0.270112 0.314828 Br\n0.044716 0.211608 0.814828 Br\n0.770112 0.103220 0.814828 Br\n0.396780 0.455284 0.685172 Br\n0.288392 0.729888 0.685172 Br\n0.955284 0.788392 0.185172 Br\n0.229888 0.896780 0.185172 Br\n0.463885 0.717198 0.433971 Br\n0.970086 0.216772 0.433971 Br\n0.217198 0.470086 0.933971 Br\n0.716772 0.963885 0.933971 Br\n0.536115 0.282802 0.566029 Br\n0.029914 0.783228 0.566029 Br\n0.782802 0.529914 0.066029 Br\n0.283228 0.036115 0.066029 Br\n0.504162 0.837698 0.315055 Br\n0.810893 0.977357 0.315055 Br\n0.337698 0.310893 0.815055 Br\n0.477357 0.004162 0.815055 Br\n0.495838 0.162302 0.684945 Br\n0.189107 0.022643 0.684945 Br\n0.662302 0.689107 0.184945 Br\n0.522643 0.995838 0.184945 Br\n0.673366 0.107060 0.438041 Br\n0.764675 0.830981 0.438041 Br\n0.607060 0.264675 0.938041 Br\n0.330981 0.173366 0.938041 Br\n0.326634 0.892940 0.561959 Br\n0.235325 0.169019 0.561959 Br\n0.392940 0.735325 0.061959 Br\n0.669019 0.826634 0.061959 Br\n0.381761 0.026442 0.443501 Br\n0.061740 0.917060 0.443501 Br\n0.526442 0.561740 0.943501 Br\n0.417060 0.881761 0.943501 Br\n0.618239 0.973558 0.556499 Br\n0.938260 0.082940 0.556499 Br\n0.473558 0.438260 0.056499 Br\n0.582940 0.118239 0.056499 Br\n",
"nsites": 120,
"nelements": 3,
"elements": [
"Tb",
"Rh",
"Br"
],
"chemical_system": "Br-Rh-Tb",
"density": 5.484523244248224,
"density_atomic": 0.030645035853616196,
"volume": 3915.805501850626,
"volume_molar": 19.651276600772427,
"formula_full": "Tb40 Rh8 Br72",
"formula_reduced": "Tb5RhBr9",
"formula_anonymous": "AB5C9",
"energy": -600.535637,
"energy_per_atom": -5.004463641666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -562.087637,
"band_gap": 0.4984000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008394,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.011000Z",
"spacegroup": 88
},
{
"id": "mp-1105551",
"created_at": "2022-09-04T14:40:55.713705Z",
"structure_string": "Tb10 Rh6\n1.0\n4.166842 -7.217182 0.000000\n4.166842 7.217182 0.000000\n0.000000 0.000000 6.339215\nTb Rh\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.744983 0.744983 0.750000 Tb\n0.255017 0.000000 0.750000 Tb\n0.000000 0.255017 0.750000 Tb\n0.255017 0.255017 0.250000 Tb\n0.744983 0.000000 0.250000 Tb\n0.000000 0.744983 0.250000 Tb\n0.392645 0.392645 0.750000 Rh\n0.607355 0.000000 0.750000 Rh\n0.000000 0.607355 0.750000 Rh\n0.607355 0.607355 0.250000 Rh\n0.392645 0.000000 0.250000 Rh\n0.000000 0.392645 0.250000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Rh"
],
"chemical_system": "Rh-Tb",
"density": 9.610579333761795,
"density_atomic": 0.04196428377338519,
"volume": 381.2766133791995,
"volume_molar": 14.350633964160242,
"formula_full": "Tb10 Rh6",
"formula_reduced": "Tb5Rh3",
"formula_anonymous": "A3B5",
"energy": -101.65577476,
"energy_per_atom": -6.3534859225,
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"energy_uncorrected": -101.65577476,
"band_gap": 0.0,
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"total_magnetization": 0.0022568,
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"updated_at": "2021-11-28T01:34:59.259000Z",
"spacegroup": 193
},
{
"id": "mp-1208421",
"created_at": "2022-09-04T14:41:09.823481Z",
"structure_string": "Tb5 Re2 O12\n1.0\n2.849223 6.260837 0.000000\n-2.849223 6.260837 0.000000\n0.000000 2.345526 7.238389\nTb Re O\n5 2 12\ndirect\n0.696097 0.696097 0.640458 Tb\n0.303903 0.303903 0.359542 Tb\n0.686148 0.686148 0.173917 Tb\n0.313852 0.313852 0.826083 Tb\n0.000000 0.000000 0.500000 Tb\n0.785363 0.214637 0.000000 Re\n0.214637 0.785363 0.000000 Re\n0.000142 0.000142 0.205671 O\n0.999858 0.999858 0.794329 O\n0.581750 0.089134 0.085612 O\n0.418250 0.910866 0.914388 O\n0.910866 0.418250 0.914388 O\n0.089134 0.581750 0.085612 O\n0.499380 0.499380 0.176038 O\n0.500620 0.500620 0.823962 O\n0.406266 0.901408 0.425045 O\n0.593734 0.098592 0.574955 O\n0.098592 0.593734 0.574955 O\n0.901408 0.406266 0.425045 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tb",
"Re",
"O"
],
"chemical_system": "O-Re-Tb",
"density": 8.738734048994264,
"density_atomic": 0.07357374245714955,
"volume": 258.2443051753944,
"volume_molar": 8.185176611761166,
"formula_full": "Tb5 Re2 O12",
"formula_reduced": "Tb5(ReO6)2",
"formula_anonymous": "A2B5C12",
"energy": -171.01618719,
"energy_per_atom": -9.000851957368422,
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"updated_at": "2021-11-28T01:35:10.754000Z",
"spacegroup": 12
},
{
"id": "mp-1198980",
"created_at": "2022-09-04T14:41:16.177308Z",
"structure_string": "Tb20 Pt16\n1.0\n7.490707 0.000000 0.000000\n0.000000 7.605374 0.000000\n0.000000 0.000000 14.892344\nTb Pt\n20 16\ndirect\n0.626856 0.164900 0.618282 Tb\n0.126856 0.335100 0.881718 Tb\n0.373144 0.835100 0.118282 Tb\n0.873144 0.664900 0.381718 Tb\n0.373144 0.835100 0.381718 Tb\n0.873144 0.664900 0.118282 Tb\n0.626856 0.164900 0.881718 Tb\n0.126856 0.335100 0.618282 Tb\n0.471330 0.672624 0.599765 Tb\n0.971330 0.827376 0.900235 Tb\n0.528670 0.327376 0.099765 Tb\n0.028670 0.172624 0.400235 Tb\n0.528670 0.327376 0.400235 Tb\n0.028670 0.172624 0.099765 Tb\n0.471330 0.672624 0.900235 Tb\n0.971330 0.827376 0.599765 Tb\n0.790936 0.506757 0.750000 Tb\n0.290936 0.993243 0.750000 Tb\n0.209064 0.493243 0.250000 Tb\n0.709064 0.006757 0.250000 Tb\n0.709755 0.976721 0.455092 Pt\n0.209755 0.523279 0.044908 Pt\n0.290245 0.023279 0.955092 Pt\n0.790245 0.476721 0.544908 Pt\n0.290245 0.023279 0.544908 Pt\n0.790245 0.476721 0.955092 Pt\n0.709755 0.976721 0.044908 Pt\n0.209755 0.523279 0.455092 Pt\n0.422517 0.378809 0.750000 Pt\n0.922517 0.121191 0.750000 Pt\n0.577483 0.621191 0.250000 Pt\n0.077483 0.878809 0.250000 Pt\n0.659233 0.860329 0.750000 Pt\n0.159233 0.639671 0.750000 Pt\n0.340767 0.139671 0.250000 Pt\n0.840767 0.360329 0.250000 Pt\n",
"nsites": 36,
"nelements": 2,
"elements": [
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"chemical_system": "Pt-Tb",
"density": 12.33027975892941,
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"volume": 848.4113015913741,
"volume_molar": 14.19236744599463,
"formula_full": "Tb20 Pt16",
"formula_reduced": "Tb5Pt4",
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"energy": -230.94491045,
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"updated_at": "2021-11-28T01:35:08.266000Z",
"spacegroup": 62
},
{
"id": "mp-1105543",
"created_at": "2022-09-04T14:45:56.079247Z",
"structure_string": "Tb10 Pt6\n1.0\n4.225890 -7.319456 0.000000\n4.225890 7.319456 0.000000\n0.000000 0.000000 6.293471\nTb Pt\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.752979 0.752979 0.750000 Tb\n0.247021 0.000000 0.750000 Tb\n0.000000 0.247021 0.750000 Tb\n0.247021 0.247021 0.250000 Tb\n0.752979 0.000000 0.250000 Tb\n0.000000 0.752979 0.250000 Tb\n0.393949 0.393949 0.750000 Pt\n0.606051 0.000000 0.750000 Pt\n0.000000 0.606051 0.750000 Pt\n0.606051 0.606051 0.250000 Pt\n0.393949 0.000000 0.250000 Pt\n0.000000 0.393949 0.250000 Pt\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Pt-Tb",
"density": 11.770713691742253,
"density_atomic": 0.041096303408876995,
"volume": 389.3294207221549,
"volume_molar": 14.653728584987986,
"formula_full": "Tb10 Pt6",
"formula_reduced": "Tb5Pt3",
"formula_anonymous": "A3B5",
"energy": -98.46586118,
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"updated_at": "2021-11-28T01:37:15.733000Z",
"spacegroup": 193
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{
"id": "mp-1198033",
"created_at": "2022-09-04T14:43:55.505008Z",
"structure_string": "Tb20 Pb16\n1.0\n-8.250454 0.000000 0.000000\n0.000000 0.000000 -8.330504\n0.000000 -15.815903 0.000000\nTb Pb\n20 16\ndirect\n0.376876 0.840768 0.880061 Tb\n0.876876 0.659232 0.619939 Tb\n0.623124 0.159232 0.380061 Tb\n0.123124 0.340768 0.119939 Tb\n0.623124 0.159232 0.119939 Tb\n0.123124 0.340768 0.380061 Tb\n0.376876 0.840768 0.619939 Tb\n0.876876 0.659232 0.880061 Tb\n0.533814 0.322541 0.899662 Tb\n0.033814 0.177459 0.600338 Tb\n0.466186 0.677459 0.399662 Tb\n0.966186 0.822541 0.100338 Tb\n0.466186 0.677459 0.100338 Tb\n0.966186 0.822541 0.399662 Tb\n0.533814 0.322541 0.600338 Tb\n0.033814 0.177459 0.899662 Tb\n0.208261 0.503687 0.750000 Tb\n0.708261 0.996313 0.750000 Tb\n0.791739 0.496313 0.250000 Tb\n0.291739 0.003687 0.250000 Tb\n0.281239 0.032045 0.042549 Pb\n0.781239 0.467955 0.457451 Pb\n0.718761 0.967955 0.542549 Pb\n0.218761 0.532045 0.957451 Pb\n0.718761 0.967955 0.957451 Pb\n0.218761 0.532045 0.542549 Pb\n0.281239 0.032045 0.457451 Pb\n0.781239 0.467955 0.042549 Pb\n0.571922 0.627193 0.750000 Pb\n0.071922 0.872807 0.750000 Pb\n0.428078 0.372807 0.250000 Pb\n0.928078 0.127193 0.250000 Pb\n0.343758 0.150326 0.750000 Pb\n0.843758 0.349674 0.750000 Pb\n0.656242 0.849674 0.250000 Pb\n0.156242 0.650326 0.250000 Pb\n",
"nsites": 36,
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"elements": [
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"density": 9.919702998055918,
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"volume": 1087.033972959389,
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"formula_full": "Tb20 Pb16",
"formula_reduced": "Tb5Pb4",
"formula_anonymous": "A4B5",
"energy": -171.59833685,
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"spacegroup": 62
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{
"id": "mp-1105825",
"created_at": "2022-09-04T14:39:43.880904Z",
"structure_string": "Tb10 Pb6\n1.0\n4.542203 -7.867327 0.000000\n4.542203 7.867327 0.000000\n0.000000 0.000000 6.678852\nTb Pb\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.666667 0.333333 0.500000 Tb\n0.761089 0.761089 0.750000 Tb\n0.238911 0.000000 0.750000 Tb\n0.000000 0.238911 0.750000 Tb\n0.238911 0.238911 0.250000 Tb\n0.761089 0.000000 0.250000 Tb\n0.000000 0.761089 0.250000 Tb\n0.394223 0.394223 0.750000 Pb\n0.605777 0.000000 0.750000 Pb\n0.000000 0.605777 0.750000 Pb\n0.605777 0.605777 0.250000 Pb\n0.394223 0.000000 0.250000 Pb\n0.000000 0.394223 0.250000 Pb\n",
"nsites": 16,
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"density": 9.853404899412654,
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"volume": 477.33750303494224,
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"formula_full": "Tb10 Pb6",
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"formula_anonymous": "A3B5",
"energy": -77.30946847,
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