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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=1760",
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"results": [
{
"id": "mp-567351",
"created_at": "2022-09-04T14:41:05.939359Z",
"structure_string": "Tb16 Mg4 Ir4\n1.0\n0.000000 6.895964 6.895964\n6.895964 0.000000 6.895964\n6.895964 6.895964 0.000000\nTb Mg Ir\n16 4 4\ndirect\n0.188260 0.811740 0.811740 Tb\n0.811740 0.188260 0.188260 Tb\n0.063043 0.436957 0.063043 Tb\n0.039165 0.653612 0.653612 Tb\n0.653612 0.653612 0.653612 Tb\n0.063043 0.063043 0.436957 Tb\n0.188260 0.811740 0.188260 Tb\n0.811740 0.811740 0.188260 Tb\n0.811740 0.188260 0.811740 Tb\n0.436957 0.063043 0.436957 Tb\n0.436957 0.436957 0.063043 Tb\n0.436957 0.063043 0.063043 Tb\n0.063043 0.436957 0.436957 Tb\n0.188260 0.188260 0.811740 Tb\n0.653612 0.653612 0.039165 Tb\n0.653612 0.039165 0.653612 Tb\n0.420579 0.420579 0.738264 Mg\n0.420579 0.738264 0.420579 Mg\n0.420579 0.420579 0.420579 Mg\n0.738264 0.420579 0.420579 Mg\n0.858721 0.858721 0.423838 Ir\n0.858721 0.423838 0.858721 Ir\n0.858721 0.858721 0.858721 Ir\n0.423838 0.858721 0.858721 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ir"
],
"chemical_system": "Ir-Mg-Tb",
"density": 8.630731201459504,
"density_atomic": 0.03659285453195112,
"volume": 655.8657504853674,
"volume_molar": 16.457149454524668,
"formula_full": "Tb16 Mg4 Ir4",
"formula_reduced": "Tb4MgIr",
"formula_anonymous": "ABC4",
"energy": -126.09542634,
"energy_per_atom": -5.2539760975,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:09.849000Z",
"spacegroup": 216
},
{
"id": "mp-1208485",
"created_at": "2022-09-04T14:40:43.835507Z",
"structure_string": "Tb16 Mg4 Ge16\n1.0\n7.269717 0.000000 0.000000\n0.000000 7.821010 0.000000\n0.000000 0.000000 14.666673\nTb Mg Ge\n16 4 16\ndirect\n0.329685 0.178216 0.627122 Tb\n0.670315 0.821784 0.372878 Tb\n0.170315 0.678216 0.372878 Tb\n0.670315 0.821784 0.127122 Tb\n0.829685 0.321784 0.627122 Tb\n0.329685 0.178216 0.872878 Tb\n0.829685 0.321784 0.872878 Tb\n0.170315 0.678216 0.127122 Tb\n0.011858 0.183074 0.095598 Tb\n0.988142 0.816926 0.904402 Tb\n0.488142 0.683074 0.904402 Tb\n0.988142 0.816926 0.595598 Tb\n0.511858 0.316926 0.095598 Tb\n0.011858 0.183074 0.404402 Tb\n0.511858 0.316926 0.404402 Tb\n0.488142 0.683074 0.595598 Tb\n0.159800 0.518896 0.750000 Mg\n0.840200 0.481104 0.250000 Mg\n0.340200 0.018896 0.250000 Mg\n0.659800 0.981104 0.750000 Mg\n0.286208 0.862779 0.750000 Ge\n0.713792 0.137221 0.250000 Ge\n0.213792 0.362779 0.250000 Ge\n0.786208 0.637221 0.750000 Ge\n0.022908 0.088056 0.750000 Ge\n0.977092 0.911944 0.250000 Ge\n0.477092 0.588056 0.250000 Ge\n0.522908 0.411944 0.750000 Ge\n0.168825 0.466439 0.535959 Ge\n0.831175 0.533561 0.464041 Ge\n0.331175 0.966439 0.464041 Ge\n0.831175 0.533561 0.035959 Ge\n0.668825 0.033561 0.535959 Ge\n0.168825 0.466439 0.964041 Ge\n0.668825 0.033561 0.964041 Ge\n0.331175 0.966439 0.035959 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Tb",
"density": 7.571459308940063,
"density_atomic": 0.043170844624348045,
"volume": 833.8961239525125,
"volume_molar": 13.949555104612328,
"formula_full": "Tb16 Mg4 Ge16",
"formula_reduced": "Tb4MgGe4",
"formula_anonymous": "AB4C4",
"energy": -183.88808108,
"energy_per_atom": -5.108002252222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.88808108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2204495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.186000Z",
"spacegroup": 62
},
{
"id": "mp-1208464",
"created_at": "2022-09-04T14:42:40.482557Z",
"structure_string": "Tb16 Mg4 Co4\n1.0\n0.000000 6.787618 6.787618\n6.787618 0.000000 6.787618\n6.787618 6.787618 0.000000\nTb Mg Co\n16 4 4\ndirect\n0.813436 0.186564 0.186564 Tb\n0.186564 0.813436 0.813436 Tb\n0.186564 0.813436 0.186564 Tb\n0.813436 0.186564 0.813436 Tb\n0.186564 0.186564 0.813436 Tb\n0.813436 0.813436 0.186564 Tb\n0.936779 0.563220 0.563221 Tb\n0.563220 0.936779 0.936780 Tb\n0.563221 0.936779 0.563221 Tb\n0.936779 0.563220 0.936780 Tb\n0.563221 0.563220 0.936780 Tb\n0.936779 0.936779 0.563221 Tb\n0.344593 0.344593 0.344593 Tb\n0.344593 0.344593 0.966220 Tb\n0.344593 0.966220 0.344593 Tb\n0.966220 0.344593 0.344593 Tb\n0.579081 0.579081 0.579081 Mg\n0.579081 0.579081 0.262757 Mg\n0.579081 0.262757 0.579081 Mg\n0.262757 0.579081 0.579081 Mg\n0.140627 0.140627 0.140627 Co\n0.140627 0.140627 0.578120 Co\n0.140627 0.578120 0.140627 Co\n0.578120 0.140627 0.140627 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Tb",
"density": 7.635180662337032,
"density_atomic": 0.03837329284320199,
"volume": 625.4349893314333,
"volume_molar": 15.69357309159579,
"formula_full": "Tb16 Mg4 Co4",
"formula_reduced": "Tb4MgCo",
"formula_anonymous": "ABC4",
"energy": -112.47951517,
"energy_per_atom": -4.686646465416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -112.47951517,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0065271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.827000Z",
"spacegroup": 216
},
{
"id": "mp-582119",
"created_at": "2022-09-04T14:45:15.906606Z",
"structure_string": "Tb16 In4 Rh4\n1.0\n0.000000 6.863665 6.863665\n6.863665 0.000000 6.863665\n6.863665 6.863665 0.000000\nTb In Rh\n16 4 4\ndirect\n0.810402 0.810402 0.189598 Tb\n0.810402 0.189598 0.810402 Tb\n0.189598 0.189598 0.810402 Tb\n0.650442 0.048674 0.650442 Tb\n0.062423 0.062423 0.437577 Tb\n0.437577 0.437577 0.062423 Tb\n0.650442 0.650442 0.650442 Tb\n0.810402 0.189598 0.189598 Tb\n0.189598 0.810402 0.810402 Tb\n0.048674 0.650442 0.650442 Tb\n0.437577 0.062423 0.062423 Tb\n0.437577 0.062423 0.437577 Tb\n0.062423 0.437577 0.062423 Tb\n0.650442 0.650442 0.048674 Tb\n0.189598 0.810402 0.189598 Tb\n0.062423 0.437577 0.437577 Tb\n0.417656 0.417656 0.417656 In\n0.417656 0.417656 0.747031 In\n0.417656 0.747031 0.417656 In\n0.747031 0.417656 0.417656 In\n0.857683 0.426952 0.857683 Rh\n0.857683 0.857683 0.857683 Rh\n0.857683 0.857683 0.426952 Rh\n0.426952 0.857683 0.857683 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"In",
"Rh"
],
"chemical_system": "In-Rh-Tb",
"density": 8.765489377555024,
"density_atomic": 0.03711188474591956,
"volume": 646.6931055728393,
"volume_molar": 16.22698712617158,
"formula_full": "Tb16 In4 Rh4",
"formula_reduced": "Tb4InRh",
"formula_anonymous": "ABC4",
"energy": -127.60064517,
"energy_per_atom": -5.31669354875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -127.60064517,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0640262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.160000Z",
"spacegroup": 216
},
{
"id": "mp-604378",
"created_at": "2022-09-04T14:43:01.249140Z",
"structure_string": "Tb16 In4 Ir4\n1.0\n0.000000 6.867484 6.867484\n6.867484 0.000000 6.867484\n6.867484 6.867484 0.000000\nTb In Ir\n16 4 4\ndirect\n0.099010 0.702970 0.099010 Tb\n0.941430 0.941430 0.558570 Tb\n0.941430 0.558570 0.941430 Tb\n0.310198 0.689802 0.310198 Tb\n0.941430 0.558570 0.558570 Tb\n0.310198 0.310198 0.689802 Tb\n0.099010 0.099010 0.099010 Tb\n0.558570 0.558570 0.941430 Tb\n0.099010 0.099010 0.702970 Tb\n0.689802 0.310198 0.689802 Tb\n0.689802 0.689802 0.310198 Tb\n0.689802 0.310198 0.310198 Tb\n0.310198 0.689802 0.689802 Tb\n0.558570 0.941430 0.558570 Tb\n0.702970 0.099010 0.099010 Tb\n0.558570 0.941430 0.941430 Tb\n0.332576 0.332576 0.332576 In\n0.002271 0.332576 0.332576 In\n0.332576 0.002271 0.332576 In\n0.332576 0.332576 0.002271 In\n0.891252 0.891252 0.891252 Ir\n0.891252 0.891252 0.326244 Ir\n0.326244 0.891252 0.891252 Ir\n0.891252 0.326244 0.891252 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"In",
"Ir"
],
"chemical_system": "In-Ir-Tb",
"density": 9.66665903436659,
"density_atomic": 0.03705000553961773,
"volume": 647.7731824988986,
"volume_molar": 16.25408868983973,
"formula_full": "Tb16 In4 Ir4",
"formula_reduced": "Tb4InIr",
"formula_anonymous": "ABC4",
"energy": -134.29433977,
"energy_per_atom": -5.595597490416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -134.29433977,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0088023,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.083000Z",
"spacegroup": 216
},
{
"id": "mp-1191472",
"created_at": "2022-09-04T14:46:16.838780Z",
"structure_string": "Tb16 Ga6 Co2\n1.0\n5.041187 -8.731592 0.000000\n5.041187 8.731592 0.000000\n0.000000 0.000000 6.942162\nTb Ga Co\n16 6 2\ndirect\n0.827665 0.655331 0.490152 Tb\n0.344669 0.172335 0.490152 Tb\n0.827665 0.172335 0.490152 Tb\n0.172335 0.344669 0.990152 Tb\n0.655331 0.827665 0.990152 Tb\n0.172335 0.827665 0.990152 Tb\n0.666667 0.333333 0.172329 Tb\n0.333333 0.666667 0.672329 Tb\n0.536554 0.073107 0.792133 Tb\n0.926893 0.463446 0.792133 Tb\n0.536554 0.463446 0.792133 Tb\n0.463446 0.926893 0.292133 Tb\n0.073107 0.536554 0.292133 Tb\n0.463446 0.536554 0.292133 Tb\n0.000000 0.000000 0.770029 Tb\n0.000000 0.000000 0.270029 Tb\n0.836459 0.672919 0.039508 Ga\n0.327081 0.163541 0.039508 Ga\n0.836459 0.163541 0.039508 Ga\n0.163541 0.327081 0.539508 Ga\n0.672919 0.836459 0.539508 Ga\n0.163541 0.836459 0.539508 Ga\n0.666667 0.333333 0.555300 Co\n0.333333 0.666667 0.055300 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Tb",
"density": 8.36583344257364,
"density_atomic": 0.0392699420244265,
"volume": 611.1544545971481,
"volume_molar": 15.335242298687726,
"formula_full": "Tb16 Ga6 Co2",
"formula_reduced": "Tb8Ga3Co",
"formula_anonymous": "AB3C8",
"energy": -115.98540038000002,
"energy_per_atom": -4.832725015833334,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -115.98540038000002,
"band_gap": 0.0011999999999998,
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"total_magnetization": 0.0006482,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.741000Z",
"spacegroup": 186
},
{
"id": "mp-1202576",
"created_at": "2022-09-04T14:44:58.641257Z",
"structure_string": "Tb16 Ga4 Sb4 S36\n1.0\n6.959030 -7.072421 0.000000\n6.959030 7.072421 0.000000\n0.000000 0.000000 13.583021\nTb Ga Sb S\n16 4 4 36\ndirect\n0.091208 0.127539 0.186691 Tb\n0.872461 0.908791 0.813309 Tb\n0.591209 0.627539 0.313309 Tb\n0.372461 0.408791 0.686691 Tb\n0.320559 0.336835 0.399067 Tb\n0.663165 0.679441 0.600933 Tb\n0.820559 0.836835 0.100933 Tb\n0.163165 0.179441 0.899067 Tb\n0.042835 0.625196 0.317645 Tb\n0.374804 0.957165 0.682355 Tb\n0.542835 0.125196 0.182355 Tb\n0.874804 0.457165 0.817645 Tb\n0.327973 0.449839 0.103735 Tb\n0.550161 0.672027 0.896265 Tb\n0.827973 0.949839 0.396265 Tb\n0.050161 0.172027 0.603735 Tb\n0.823899 0.385975 0.091606 Ga\n0.614025 0.176101 0.908394 Ga\n0.323899 0.885975 0.408394 Ga\n0.114025 0.676101 0.591606 Ga\n0.831519 0.329085 0.386981 Sb\n0.670915 0.168481 0.613019 Sb\n0.331519 0.829085 0.113019 Sb\n0.170915 0.668481 0.886981 Sb\n0.014877 0.163630 0.400606 S\n0.836370 0.985123 0.599394 S\n0.514877 0.663630 0.099394 S\n0.336370 0.485123 0.900606 S\n0.147278 0.663226 0.081080 S\n0.336774 0.852722 0.918920 S\n0.647278 0.163226 0.418920 S\n0.836774 0.352722 0.581080 S\n0.818345 0.204204 0.197671 S\n0.795796 0.181655 0.802329 S\n0.318345 0.704204 0.302329 S\n0.295796 0.681655 0.697671 S\n0.821701 0.576381 0.190823 S\n0.423619 0.178299 0.809177 S\n0.321701 0.076381 0.309177 S\n0.923619 0.678299 0.690823 S\n0.125911 0.874089 0.500000 S\n0.625911 0.374089 0.000000 S\n0.117327 0.491369 0.490145 S\n0.508631 0.882673 0.509855 S\n0.617327 0.991369 0.009855 S\n0.008631 0.382673 0.990145 S\n0.812406 0.680993 0.431663 S\n0.319007 0.187594 0.568337 S\n0.312406 0.180993 0.068337 S\n0.819007 0.687594 0.931663 S\n0.003034 0.881276 0.248805 S\n0.118724 0.996966 0.751195 S\n0.503034 0.381276 0.251195 S\n0.618724 0.496966 0.748805 S\n0.499460 0.500540 0.500000 S\n0.999460 0.000540 0.000000 S\n0.142086 0.390074 0.245786 S\n0.609926 0.857914 0.754214 S\n0.642086 0.890074 0.254214 S\n0.109926 0.357914 0.745786 S\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Tb",
"Ga",
"Sb",
"S"
],
"chemical_system": "Ga-S-Sb-Tb",
"density": 5.5429422513449325,
"density_atomic": 0.04487537273430249,
"volume": 1337.036248261317,
"volume_molar": 13.419700813753261,
"formula_full": "Tb16 Ga4 Sb4 S36",
"formula_reduced": "Tb4GaSbS9",
"formula_anonymous": "ABC4D9",
"energy": -362.36472082,
"energy_per_atom": -6.0394120136666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -344.25672082,
"band_gap": 2.0623000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.585000Z",
"spacegroup": 41
},
{
"id": "mp-570277",
"created_at": "2022-09-04T14:42:42.906816Z",
"structure_string": "Tb16 Cr2 Te26 Cl2\n1.0\n2.099051 -13.302036 0.000000\n2.099051 13.302036 0.000000\n0.000000 0.000000 23.835219\nTb Cr Te Cl\n16 2 26 2\ndirect\n0.392556 0.607444 0.615443 Tb\n0.224588 0.775412 0.594987 Tb\n0.352205 0.647795 0.282443 Tb\n0.775412 0.224588 0.094987 Tb\n0.482238 0.517762 0.777718 Tb\n0.940580 0.059420 0.102691 Tb\n0.517762 0.482238 0.277718 Tb\n0.193324 0.806676 0.268265 Tb\n0.447732 0.552268 0.443661 Tb\n0.059420 0.940580 0.602691 Tb\n0.552268 0.447732 0.943661 Tb\n0.867988 0.132012 0.935068 Tb\n0.607444 0.392556 0.115443 Tb\n0.132012 0.867988 0.435068 Tb\n0.647795 0.352205 0.782443 Tb\n0.806676 0.193324 0.768265 Tb\n0.791182 0.208818 0.441014 Cr\n0.208818 0.791182 0.941014 Cr\n0.877106 0.122894 0.380523 Te\n0.933940 0.066060 0.240043 Te\n0.050181 0.949819 0.041240 Te\n0.195705 0.804295 0.135446 Te\n0.297569 0.702431 0.997903 Te\n0.673387 0.326613 0.004536 Te\n0.369819 0.630181 0.836605 Te\n0.702431 0.297569 0.497903 Te\n0.981371 0.018629 0.878710 Te\n0.356424 0.643576 0.141816 Te\n0.804295 0.195705 0.635446 Te\n0.643576 0.356424 0.641816 Te\n0.949819 0.050181 0.541240 Te\n0.066060 0.933940 0.740043 Te\n0.256286 0.743714 0.376718 Te\n0.743714 0.256286 0.876718 Te\n0.225355 0.774645 0.734427 Te\n0.326613 0.673387 0.504536 Te\n0.438177 0.561823 0.999961 Te\n0.086211 0.913789 0.215012 Te\n0.913789 0.086211 0.715012 Te\n0.561823 0.438177 0.499961 Te\n0.122894 0.877106 0.880523 Te\n0.774645 0.225355 0.234427 Te\n0.630181 0.369819 0.336605 Te\n0.018629 0.981371 0.378710 Te\n0.499504 0.500496 0.146481 Cl\n0.500496 0.499504 0.646481 Cl\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Tb",
"Cr",
"Te",
"Cl"
],
"chemical_system": "Cl-Cr-Tb-Te",
"density": 7.5293586017109435,
"density_atomic": 0.03455951029331318,
"volume": 1331.0373789903038,
"volume_molar": 17.425422724132773,
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