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{
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"results": [
{
"id": "mp-866068",
"created_at": "2022-09-04T14:47:57.526926Z",
"structure_string": "Tb1 Mg1 Au2\n1.0\n0.000000 3.487159 3.487159\n3.487159 0.000000 3.487159\n3.487159 3.487159 0.000000\nTb Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Mg",
"Au"
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"chemical_system": "Au-Mg-Tb",
"density": 11.300631194019125,
"density_atomic": 0.04716444693102142,
"volume": 84.80964498216314,
"volume_molar": 12.768390497205353,
"formula_full": "Tb1 Mg1 Au2",
"formula_reduced": "TbMgAu2",
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"updated_at": "2021-11-28T01:38:23.284000Z",
"spacegroup": 225
},
{
"id": "mp-1187287",
"created_at": "2022-09-04T14:42:27.650639Z",
"structure_string": "Tb1 Mg16 Al12\n1.0\n5.284215 -7.598029 0.000000\n5.284215 7.598029 0.000000\n-5.640785 0.000000 7.337201\nTb Mg Al\n1 16 12\ndirect\n0.372296 0.372296 0.372296 Tb\n0.314750 0.716690 0.314750 Mg\n0.997154 0.997154 0.997154 Mg\n0.995535 0.654527 0.995535 Mg\n0.611077 0.280166 0.611077 Mg\n0.394128 0.001763 0.688904 Mg\n0.688904 0.394128 0.001763 Mg\n0.280166 0.611077 0.611077 Mg\n0.654527 0.995535 0.995535 Mg\n0.001763 0.688904 0.394128 Mg\n0.314750 0.314750 0.716690 Mg\n0.716690 0.314750 0.314750 Mg\n0.394128 0.688904 0.001763 Mg\n0.995535 0.995535 0.654527 Mg\n0.611077 0.611077 0.280166 Mg\n0.001763 0.394128 0.688904 Mg\n0.688904 0.001763 0.394128 Mg\n0.810514 0.174774 0.810514 Al\n0.629670 0.810425 0.629670 Al\n0.184865 0.001717 0.364059 Al\n0.629670 0.629670 0.810425 Al\n0.001717 0.364059 0.184865 Al\n0.810514 0.810514 0.174774 Al\n0.001717 0.184865 0.364059 Al\n0.364059 0.184865 0.001717 Al\n0.174774 0.810514 0.810514 Al\n0.184865 0.364059 0.001717 Al\n0.810425 0.629670 0.629670 Al\n0.364059 0.001717 0.184865 Al\n",
"nsites": 29,
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"elements": [
"Tb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Tb",
"density": 2.4564980001889665,
"density_atomic": 0.0492216490176958,
"volume": 589.1716465974989,
"volume_molar": 12.234739957279704,
"formula_full": "Tb1 Mg16 Al12",
"formula_reduced": "Tb(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy": -77.07938851,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.298000Z",
"spacegroup": 160
},
{
"id": "mp-1187293",
"created_at": "2022-09-04T14:44:50.381304Z",
"structure_string": "Tb1 Mg16 Al12\n1.0\n-5.276764 5.276764 5.276764\n5.276764 -5.276764 5.276764\n5.276764 5.276764 -5.276764\nTb Mg Al\n1 16 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.283775 0.602935 0.602935 Mg\n0.641521 0.000000 0.000000 Mg\n0.358479 0.358479 0.358479 Mg\n0.716225 0.319160 0.319160 Mg\n0.000000 0.680840 0.397065 Mg\n0.602935 0.602935 0.283775 Mg\n0.397065 0.000000 0.680840 Mg\n0.000000 0.000000 0.641521 Mg\n0.680840 0.397065 0.000000 Mg\n0.319160 0.716225 0.319160 Mg\n0.680840 0.000000 0.397065 Mg\n0.319160 0.319160 0.716225 Mg\n0.000000 0.641521 0.000000 Mg\n0.602935 0.283775 0.602935 Mg\n0.397065 0.680840 0.000000 Mg\n0.000000 0.397065 0.680840 Mg\n0.817860 0.631445 0.631445 Al\n0.182140 0.813585 0.813585 Al\n0.000000 0.368555 0.186415 Al\n0.368555 0.186415 0.000000 Al\n0.631445 0.817860 0.631445 Al\n0.186415 0.368555 0.000000 Al\n0.813585 0.182140 0.813585 Al\n0.813585 0.813585 0.182140 Al\n0.186415 0.000000 0.368555 Al\n0.631445 0.631445 0.817860 Al\n0.368555 0.000000 0.186415 Al\n0.000000 0.186415 0.368555 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Al"
],
"chemical_system": "Al-Mg-Tb",
"density": 2.4626077903892547,
"density_atomic": 0.04934407287018304,
"volume": 587.7098973223129,
"volume_molar": 12.204385268000399,
"formula_full": "Tb1 Mg16 Al12",
"formula_reduced": "Tb(Mg4Al3)4",
"formula_anonymous": "AB12C16",
"energy": -77.24495893,
"energy_per_atom": -2.6636192734482758,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -77.24495893,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0043892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.460000Z",
"spacegroup": 217
},
{
"id": "mp-1188078",
"created_at": "2022-09-04T14:48:02.069056Z",
"structure_string": "Tb1 Mg149\n1.0\n13.849877 -7.996234 0.000000\n0.000000 15.992468 0.000000\n0.000000 -0.000000 15.621671\nTb Mg\n1 149\ndirect\n0.000000 0.000000 -0.000000 Tb\n0.600052 0.200104 -0.000000 Mg\n0.799409 0.200591 -0.000000 Mg\n0.401181 0.200591 -0.000000 Mg\n0.202060 0.204972 -0.000000 Mg\n0.002912 0.204972 -0.000000 Mg\n0.000158 0.400173 -0.000000 Mg\n0.400015 0.400173 -0.000000 Mg\n0.799896 0.399949 -0.000000 Mg\n0.600052 0.399949 -0.000000 Mg\n0.201580 0.403159 -0.000000 Mg\n0.799409 0.598819 -0.000000 Mg\n0.000158 0.599985 -0.000000 Mg\n0.599828 0.599986 -0.000000 Mg\n0.399745 0.600255 -0.000000 Mg\n0.200510 0.600255 -0.000000 Mg\n0.596841 0.798420 -0.000000 Mg\n0.201580 0.798421 -0.000000 Mg\n0.795028 0.797940 -0.000000 Mg\n0.002912 0.797940 -0.000000 Mg\n0.399745 0.799490 -0.000000 Mg\n0.202060 0.997088 -0.000000 Mg\n0.795028 0.997088 -0.000000 Mg\n0.400015 0.999842 -0.000000 Mg\n0.599828 0.999842 -0.000000 Mg\n0.263833 0.131916 0.164637 Mg\n0.868084 0.131916 0.164637 Mg\n0.868084 0.736167 0.164637 Mg\n0.666667 0.333333 0.166107 Mg\n0.465598 0.132966 0.166517 Mg\n0.667367 0.132966 0.166517 Mg\n0.465598 0.332633 0.166517 Mg\n0.867034 0.332634 0.166517 Mg\n0.667367 0.534401 0.166517 Mg\n0.867034 0.534401 0.166517 Mg\n0.066711 0.533355 0.167268 Mg\n0.466645 0.533355 0.167268 Mg\n0.466645 0.933289 0.167268 Mg\n0.267146 0.534293 0.167348 Mg\n0.465707 0.732853 0.167348 Mg\n0.267146 0.732854 0.167348 Mg\n0.267594 0.335615 0.167675 Mg\n0.068020 0.335615 0.167675 Mg\n0.664385 0.732406 0.167675 Mg\n0.068020 0.732406 0.167675 Mg\n0.664385 0.931980 0.167675 Mg\n0.267594 0.931980 0.167675 Mg\n0.067952 0.135905 0.169659 Mg\n0.864095 0.932048 0.169659 Mg\n0.067952 0.932048 0.169659 Mg\n0.399708 0.199853 0.332807 Mg\n0.800147 0.199854 0.332807 Mg\n0.800147 0.600292 0.332807 Mg\n0.599990 0.199980 0.332769 Mg\n0.800020 0.400010 0.332769 Mg\n0.599990 0.400010 0.332769 Mg\n0.799441 0.000008 0.333462 Mg\n0.200568 0.000009 0.333462 Mg\n0.200568 0.200560 0.333462 Mg\n0.999991 0.200560 0.333462 Mg\n0.999991 0.799431 0.333462 Mg\n0.799441 0.799432 0.333462 Mg\n0.400461 0.000186 0.333757 Mg\n0.599726 0.000187 0.333757 Mg\n0.400461 0.400274 0.333757 Mg\n0.999814 0.400275 0.333757 Mg\n0.999814 0.599539 0.333757 Mg\n0.599726 0.599539 0.333757 Mg\n0.400074 0.599926 0.333692 Mg\n0.199853 0.599926 0.333692 Mg\n0.400074 0.800147 0.333692 Mg\n0.200218 0.400439 0.334138 Mg\n0.599561 0.799781 0.334138 Mg\n0.200218 0.799781 0.334138 Mg\n0.000000 0.000000 0.334656 Mg\n0.866429 0.133571 0.500000 Mg\n0.267142 0.133571 0.500000 Mg\n0.066799 0.133599 0.500000 Mg\n0.667124 0.134151 0.500000 Mg\n0.467028 0.134151 0.500000 Mg\n0.865848 0.332876 0.500000 Mg\n0.467028 0.332876 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266770 0.333598 0.500000 Mg\n0.066828 0.333598 0.500000 Mg\n0.865848 0.532972 0.500000 Mg\n0.667124 0.532973 0.500000 Mg\n0.066076 0.533038 0.500000 Mg\n0.466962 0.533038 0.500000 Mg\n0.266770 0.533539 0.500000 Mg\n0.866429 0.732858 0.500000 Mg\n0.066828 0.733229 0.500000 Mg\n0.666402 0.733229 0.500000 Mg\n0.466461 0.733230 0.500000 Mg\n0.266770 0.733230 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.066799 0.933200 0.500000 Mg\n0.266770 0.933172 0.500000 Mg\n0.666402 0.933172 0.500000 Mg\n0.466962 0.933923 0.500000 Mg\n0.000000 0.000000 0.665344 Mg\n0.200218 0.400439 0.665862 Mg\n0.599561 0.799781 0.665862 Mg\n0.200218 0.799781 0.665862 Mg\n0.400074 0.599926 0.666308 Mg\n0.199853 0.599926 0.666308 Mg\n0.400074 0.800147 0.666308 Mg\n0.400461 0.000186 0.666243 Mg\n0.599726 0.000187 0.666243 Mg\n0.400461 0.400274 0.666243 Mg\n0.999814 0.400275 0.666243 Mg\n0.999814 0.599539 0.666243 Mg\n0.599726 0.599539 0.666243 Mg\n0.799441 0.000008 0.666538 Mg\n0.200568 0.000009 0.666538 Mg\n0.200568 0.200560 0.666538 Mg\n0.999991 0.200560 0.666538 Mg\n0.999991 0.799431 0.666538 Mg\n0.799441 0.799432 0.666538 Mg\n0.599990 0.199980 0.667231 Mg\n0.800020 0.400010 0.667231 Mg\n0.599990 0.400010 0.667231 Mg\n0.399708 0.199853 0.667193 Mg\n0.800147 0.199854 0.667193 Mg\n0.800147 0.600292 0.667193 Mg\n0.067952 0.135905 0.830341 Mg\n0.864095 0.932048 0.830341 Mg\n0.067952 0.932048 0.830341 Mg\n0.267594 0.335615 0.832325 Mg\n0.068020 0.335615 0.832325 Mg\n0.664385 0.732406 0.832325 Mg\n0.068020 0.732406 0.832325 Mg\n0.664385 0.931980 0.832325 Mg\n0.267594 0.931980 0.832325 Mg\n0.267146 0.534293 0.832652 Mg\n0.465707 0.732853 0.832652 Mg\n0.267146 0.732854 0.832652 Mg\n0.066711 0.533355 0.832732 Mg\n0.466645 0.533355 0.832732 Mg\n0.466645 0.933289 0.832732 Mg\n0.465598 0.132966 0.833483 Mg\n0.667367 0.132966 0.833483 Mg\n0.465598 0.332633 0.833483 Mg\n0.867034 0.332634 0.833483 Mg\n0.667367 0.534401 0.833483 Mg\n0.867034 0.534401 0.833483 Mg\n0.666667 0.333333 0.833893 Mg\n0.263833 0.131916 0.835363 Mg\n0.868084 0.131916 0.835363 Mg\n0.868084 0.736167 0.835363 Mg\n",
"nsites": 150,
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"elements": [
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],
"chemical_system": "Mg-Tb",
"density": 1.8142392221968295,
"density_atomic": 0.04335132392051699,
"volume": 3460.101940024238,
"volume_molar": 13.891480617850025,
"formula_full": "Tb1 Mg149",
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"total_magnetization": 3.17e-05,
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"updated_at": "2021-11-28T01:38:18.593000Z",
"spacegroup": 187
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{
"id": "mp-1635",
"created_at": "2022-09-04T14:46:33.860130Z",
"structure_string": "Tb1 Mg1\n1.0\n3.798932 0.000000 0.000000\n0.000000 3.798932 0.000000\n0.000000 0.000000 3.798932\nTb Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
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"volume": 54.82574724189542,
"volume_molar": 16.5084183581438,
"formula_full": "Tb1 Mg1",
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"formula_anonymous": "AB",
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"updated_at": "2021-11-28T01:37:28.065000Z",
"spacegroup": 221
},
{
"id": "mp-1187357",
"created_at": "2022-09-04T14:41:22.554459Z",
"structure_string": "Tb1 Lu1 Rh2\n1.0\n0.000000 3.403800 3.403800\n3.403800 0.000000 3.403800\n3.403800 3.403800 0.000000\nTb Lu Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"elements": [
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"Lu",
"Rh"
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"density": 11.362714997878195,
"density_atomic": 0.050715170959478244,
"volume": 78.871862685744,
"volume_molar": 11.87443647742355,
"formula_full": "Tb1 Lu1 Rh2",
"formula_reduced": "TbLuRh2",
"formula_anonymous": "ABC2",
"energy": -27.58004509,
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"updated_at": "2021-11-28T01:35:16.794000Z",
"spacegroup": 225
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{
"id": "mp-1187371",
"created_at": "2022-09-04T14:40:06.457620Z",
"structure_string": "Tb1 Lu1 Ir2\n1.0\n0.000000 3.402171 3.402171\n3.402171 0.000000 3.402171\n3.402171 3.402171 0.000000\nTb Lu Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Lu",
"Ir"
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"chemical_system": "Ir-Lu-Tb",
"density": 15.145111830961323,
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"volume": 78.75867673058129,
"volume_molar": 11.857395933572427,
"formula_full": "Tb1 Lu1 Ir2",
"formula_reduced": "TbLuIr2",
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"total_magnetization": 1.9e-06,
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"updated_at": "2021-11-28T01:34:46.809000Z",
"spacegroup": 225
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{
"id": "mp-1187340",
"created_at": "2022-09-04T14:39:24.239289Z",
"structure_string": "Tb1 Lu1 In2\n1.0\n0.000000 3.736027 3.736027\n3.736027 0.000000 3.736027\n3.736027 3.736027 0.000000\nTb Lu In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n",
"nsites": 4,
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"elements": [
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"In"
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"chemical_system": "In-Lu-Tb",
"density": 8.972322030235187,
"density_atomic": 0.03835305622426824,
"volume": 104.2941656750933,
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"formula_full": "Tb1 Lu1 In2",
"formula_reduced": "TbLuIn2",
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"energy": -16.36224545,
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"spacegroup": 225
},
{
"id": "mp-979287",
"created_at": "2022-09-04T14:43:16.142202Z",
"structure_string": "Tb1 Lu1 Hg2\n1.0\n0.000000 3.700260 3.700260\n3.700260 0.000000 3.700260\n3.700260 3.700260 0.000000\nTb Lu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
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"chemical_system": "Hg-Lu-Tb",
"density": 12.046266469791881,
"density_atomic": 0.03947601203534578,
"volume": 101.32735790075516,
"volume_molar": 15.255190302931142,
"formula_full": "Tb1 Lu1 Hg2",
"formula_reduced": "TbLuHg2",
"formula_anonymous": "ABC2",
"energy": -11.65963195,
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"updated_at": "2021-11-28T01:36:06.707000Z",
"spacegroup": 225
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{
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"spacegroup": 187
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{
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},
{
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"spacegroup": 71
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]
}