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{
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{
"id": "mp-1232103",
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"structure_string": "Tb8 Mg4 S16\n1.0\n7.231922 -0.027120 0.659690\n-0.089310 8.305735 1.311099\n0.106032 0.141870 12.931789\nTb Mg S\n8 4 16\ndirect\n0.135192 0.700208 0.693605 Tb\n0.864808 0.299792 0.306395 Tb\n0.241409 0.872117 0.000640 Tb\n0.758591 0.127883 0.999360 Tb\n0.367945 0.555102 0.304678 Tb\n0.632055 0.444898 0.695322 Tb\n0.366178 0.042373 0.308337 Tb\n0.633822 0.957627 0.691663 Tb\n0.133916 0.200483 0.699959 Mg\n0.866084 0.799517 0.300041 Mg\n0.249140 0.377692 0.996185 Mg\n0.750860 0.622308 0.003815 Mg\n0.093201 0.644479 0.897351 S\n0.906799 0.355521 0.102649 S\n0.107710 0.155899 0.892151 S\n0.892290 0.844101 0.107849 S\n0.168257 0.781140 0.372084 S\n0.831743 0.218860 0.627916 S\n0.191534 0.281749 0.375653 S\n0.808466 0.718251 0.624347 S\n0.302961 0.979700 0.629407 S\n0.697039 0.020300 0.370593 S\n0.304817 0.455698 0.628763 S\n0.695183 0.544302 0.371237 S\n0.393540 0.103812 0.104115 S\n0.606460 0.896188 0.895885 S\n0.404971 0.592321 0.101366 S\n0.595029 0.407679 0.898634 S\n",
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{
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"structure_string": "Tb4 Mg2 S8\n1.0\n1.903038 -6.264023 0.000000\n1.903038 6.264023 0.000000\n0.000000 0.000000 12.918565\nTb Mg S\n4 2 8\ndirect\n0.381546 0.618454 0.783723 Tb\n0.618454 0.381546 0.283723 Tb\n0.137509 0.862491 0.582236 Tb\n0.862491 0.137509 0.082236 Tb\n0.125905 0.874095 0.946083 Mg\n0.874095 0.125905 0.446083 Mg\n0.789806 0.210194 0.634761 S\n0.210194 0.789806 0.134761 S\n0.489354 0.510646 0.996909 S\n0.510646 0.489354 0.496909 S\n0.761837 0.238163 0.895270 S\n0.238163 0.761837 0.395270 S\n0.037155 0.962845 0.769018 S\n0.962845 0.037155 0.269018 S\n",
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"updated_at": "2021-11-28T01:36:35.280000Z",
"spacegroup": 36
},
{
"id": "mp-1232141",
"created_at": "2022-09-04T14:47:19.507116Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n7.967633 0.000000 0.000000\n0.000000 7.286318 0.000000\n0.000000 0.000000 11.489534\nTb Mg S\n8 4 16\ndirect\n0.041062 0.750000 0.308733 Tb\n0.958938 0.250000 0.691267 Tb\n0.458938 0.250000 0.808733 Tb\n0.541062 0.750000 0.191267 Tb\n0.073113 0.250000 0.021603 Tb\n0.926887 0.750000 0.978397 Tb\n0.426887 0.750000 0.521603 Tb\n0.573113 0.250000 0.478397 Tb\n0.181578 0.250000 0.408622 Mg\n0.818422 0.750000 0.591378 Mg\n0.318422 0.750000 0.908622 Mg\n0.681578 0.250000 0.091378 Mg\n0.130590 0.501177 0.843114 S\n0.869410 0.498823 0.156886 S\n0.369410 0.498823 0.343114 S\n0.630590 0.501177 0.656886 S\n0.630590 0.998823 0.656886 S\n0.369410 0.001177 0.343114 S\n0.869410 0.001177 0.156886 S\n0.130590 0.998823 0.843114 S\n0.896832 0.250000 0.455864 S\n0.103168 0.750000 0.544136 S\n0.603168 0.750000 0.955864 S\n0.396832 0.250000 0.044136 S\n0.220302 0.750000 0.109470 S\n0.779698 0.250000 0.890530 S\n0.279698 0.250000 0.609470 S\n0.720302 0.750000 0.390530 S\n",
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"updated_at": "2021-11-28T01:38:03.283000Z",
"spacegroup": 62
},
{
"id": "mp-1232097",
"created_at": "2022-09-04T14:47:17.461504Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n13.592834 0.000000 0.000000\n0.000000 7.946712 0.000000\n0.000000 0.000000 6.549446\nTb Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.232057 0.750000 0.998926 Tb\n0.767943 0.250000 0.001074 Tb\n0.267943 0.250000 0.498926 Tb\n0.732057 0.750000 0.501074 Tb\n0.093412 0.250000 0.922405 Mg\n0.906588 0.750000 0.077595 Mg\n0.406588 0.750000 0.422405 Mg\n0.593412 0.250000 0.577595 Mg\n0.168655 0.010415 0.742120 S\n0.831345 0.989585 0.257880 S\n0.331345 0.989585 0.242120 S\n0.668655 0.010415 0.757880 S\n0.668655 0.489585 0.757880 S\n0.331345 0.510415 0.242120 S\n0.831345 0.510415 0.257880 S\n0.168655 0.489585 0.742120 S\n0.069968 0.750000 0.246866 S\n0.930032 0.250000 0.753134 S\n0.430032 0.250000 0.746866 S\n0.569968 0.750000 0.253134 S\n0.091616 0.250000 0.289152 S\n0.908384 0.750000 0.710848 S\n0.408384 0.750000 0.789152 S\n0.591616 0.250000 0.210848 S\n",
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"formula_full": "Tb8 Mg4 S16",
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"energy": -169.96064247,
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{
"id": "mp-1232098",
"created_at": "2022-09-04T14:42:17.855917Z",
"structure_string": "Tb8 Mg4 S16\n1.0\n3.864745 0.000000 0.000000\n0.000000 12.653181 0.000000\n0.000000 0.000000 13.492507\nTb Mg S\n8 4 16\ndirect\n0.250000 0.117512 0.075789 Tb\n0.750000 0.882488 0.924211 Tb\n0.750000 0.382488 0.575789 Tb\n0.250000 0.617512 0.424211 Tb\n0.250000 0.138520 0.705532 Tb\n0.750000 0.861480 0.294468 Tb\n0.750000 0.361480 0.205532 Tb\n0.250000 0.638520 0.794468 Tb\n0.750000 0.111082 0.453482 Mg\n0.250000 0.888918 0.546518 Mg\n0.250000 0.388918 0.953482 Mg\n0.750000 0.611082 0.046518 Mg\n0.750000 0.008183 0.615405 S\n0.250000 0.991817 0.384595 S\n0.250000 0.491817 0.115405 S\n0.750000 0.508183 0.884595 S\n0.250000 0.027152 0.883423 S\n0.750000 0.972848 0.116577 S\n0.750000 0.472848 0.383423 S\n0.250000 0.527152 0.616577 S\n0.250000 0.225396 0.248844 S\n0.750000 0.774604 0.751156 S\n0.750000 0.274604 0.748844 S\n0.250000 0.725396 0.251156 S\n0.750000 0.262163 0.016005 S\n0.250000 0.737837 0.983995 S\n0.250000 0.237837 0.516005 S\n0.750000 0.762163 0.483995 S\n",
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"formula_full": "Tb8 Mg4 S16",
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"spacegroup": 62
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{
"id": "mp-1232112",
"created_at": "2022-09-04T14:46:22.713658Z",
"structure_string": "Tb4 Mg2 S8\n1.0\n0.000000 5.615821 5.615821\n5.615821 0.000000 5.615821\n5.615821 5.615821 0.000000\nTb Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Tb\n0.125000 0.125000 0.625000 Tb\n0.625000 0.125000 0.125000 Tb\n0.125000 0.125000 0.125000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.879405 0.879405 0.879405 S\n0.361786 0.879405 0.879405 S\n0.879405 0.361786 0.879405 S\n0.879405 0.879405 0.361786 S\n0.370595 0.370595 0.888214 S\n0.370595 0.888214 0.370595 S\n0.888214 0.370595 0.370595 S\n0.370595 0.370595 0.370595 S\n",
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{
"id": "mp-1232102",
"created_at": "2022-09-04T14:40:36.727684Z",
"structure_string": "Tb16 Mg8 S32\n1.0\n7.589525 0.000000 0.000000\n0.000000 12.702087 0.000000\n0.000000 0.000000 12.823286\nTb Mg S\n16 8 32\ndirect\n0.882815 0.109377 0.685335 Tb\n0.117185 0.890623 0.185335 Tb\n0.882815 0.390623 0.185335 Tb\n0.117185 0.609377 0.685335 Tb\n0.381695 0.127668 0.326259 Tb\n0.618305 0.872332 0.826259 Tb\n0.381695 0.372332 0.826259 Tb\n0.618305 0.627668 0.326259 Tb\n0.628663 0.133269 0.992579 Tb\n0.371337 0.866731 0.492579 Tb\n0.628663 0.366731 0.492579 Tb\n0.371337 0.633269 0.992579 Tb\n0.128795 0.133667 0.991411 Tb\n0.871205 0.866333 0.491411 Tb\n0.128795 0.366333 0.491411 Tb\n0.871205 0.633667 0.991411 Tb\n0.381675 0.110279 0.691219 Mg\n0.618325 0.889721 0.191219 Mg\n0.381675 0.389721 0.191219 Mg\n0.618325 0.610279 0.691219 Mg\n0.878458 0.126045 0.321278 Mg\n0.121542 0.873955 0.821278 Mg\n0.878458 0.373955 0.821278 Mg\n0.121542 0.626045 0.321278 Mg\n0.877884 0.012887 0.877752 S\n0.122116 0.987113 0.377752 S\n0.877884 0.487113 0.377752 S\n0.122116 0.512887 0.877752 S\n0.377335 0.032609 0.130207 S\n0.622665 0.967391 0.630207 S\n0.377335 0.467391 0.630207 S\n0.622665 0.532609 0.130207 S\n0.372297 0.021477 0.868964 S\n0.627703 0.978523 0.368964 S\n0.372297 0.478523 0.368964 S\n0.627703 0.521477 0.868964 S\n0.872491 0.041872 0.137378 S\n0.127509 0.958128 0.637378 S\n0.872491 0.458128 0.637378 S\n0.127509 0.541872 0.137378 S\n0.879181 0.212334 0.501075 S\n0.120819 0.787666 0.001075 S\n0.879181 0.287666 0.001075 S\n0.120819 0.712334 0.501075 S\n0.379582 0.212681 0.520073 S\n0.620418 0.787319 0.020073 S\n0.379582 0.287319 0.020073 S\n0.620418 0.712681 0.520073 S\n0.128327 0.232552 0.776303 S\n0.871673 0.767448 0.276303 S\n0.128327 0.267448 0.276303 S\n0.871673 0.732552 0.776303 S\n0.631141 0.231021 0.777168 S\n0.368859 0.768979 0.277168 S\n0.631141 0.268979 0.277168 S\n0.368859 0.731021 0.777168 S\n",
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"formula_full": "Tb16 Mg8 S32",
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{
"id": "mp-1232385",
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"structure_string": "Tb4 Mg2 S8\n1.0\n-4.104433 4.104433 4.274114\n4.104433 -4.104433 4.274114\n4.104433 4.104433 -4.274114\nTb Mg S\n4 2 8\ndirect\n0.875000 0.757142 0.382142 Tb\n0.507142 0.125000 0.882142 Tb\n0.375000 0.492858 0.617858 Tb\n0.242858 0.625000 0.117858 Tb\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506324 0.378388 0.263027 S\n0.756703 0.493676 0.872064 S\n0.115361 0.243297 0.736973 S\n0.621612 0.884639 0.127936 S\n0.243676 0.006703 0.372064 S\n0.993297 0.365361 0.236973 S\n0.634639 0.871612 0.627936 S\n0.128388 0.756324 0.763027 S\n",
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{
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{
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"structure_string": "Tb4 Mg2 Ni4\n1.0\n7.284937 0.000000 0.000000\n0.000000 7.284937 0.000000\n0.000000 0.000000 3.765412\nTb Mg Ni\n4 2 4\ndirect\n0.674231 0.174231 0.500000 Tb\n0.325769 0.825769 0.500000 Tb\n0.174231 0.325769 0.500000 Tb\n0.825769 0.674231 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.119101 0.619101 0.000000 Ni\n0.880899 0.380899 0.000000 Ni\n0.619101 0.880899 0.000000 Ni\n0.380899 0.119101 0.000000 Ni\n",
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"elements": [
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],
"chemical_system": "Mg-Ni-Tb",
"density": 7.637314459621185,
"density_atomic": 0.05004214269639511,
"volume": 199.83157117531601,
"volume_molar": 12.034138499097116,
"formula_full": "Tb4 Mg2 Ni4",
"formula_reduced": "Tb2MgNi2",
"formula_anonymous": "AB2C2",
"energy": -48.56028202,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -48.56028202,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:43.397000Z",
"spacegroup": 127
},
{
"id": "mp-867301",
"created_at": "2022-09-04T14:44:20.813689Z",
"structure_string": "Tb4 Mg2 Ge4\n1.0\n7.294726 0.000000 0.000000\n0.000000 7.294726 0.000000\n0.000000 0.000000 4.278908\nTb Mg Ge\n4 2 4\ndirect\n0.677687 0.177687 0.500000 Tb\n0.322313 0.822313 0.500000 Tb\n0.177687 0.322313 0.500000 Tb\n0.822313 0.677687 0.500000 Tb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.876455 0.376455 0.000000 Ge\n0.123545 0.623545 0.000000 Ge\n0.376455 0.123545 0.000000 Ge\n0.623545 0.876455 0.000000 Ge\n",
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],
"chemical_system": "Ge-Mg-Tb",
"density": 7.109605620438891,
"density_atomic": 0.043918660255256335,
"volume": 227.69364871058804,
"volume_molar": 13.712032026931537,
"formula_full": "Tb4 Mg2 Ge4",
"formula_reduced": "Tb2MgGe2",
"formula_anonymous": "AB2C2",
"energy": -48.02725253,
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"updated_at": "2021-11-28T01:36:39.296000Z",
"spacegroup": 127
},
{
"id": "mp-1205707",
"created_at": "2022-09-04T14:46:14.277857Z",
"structure_string": "Tb4 Mg2 Cu4\n1.0\n7.760146 0.000000 0.000000\n0.000000 7.760146 0.000000\n0.000000 0.000000 3.660491\nTb Mg Cu\n4 2 4\ndirect\n0.676332 0.176332 0.500000 Tb\n0.323668 0.823668 0.500000 Tb\n0.176332 0.323668 0.500000 Tb\n0.823668 0.676332 0.500000 Tb\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.118234 0.618234 0.000000 Cu\n0.881766 0.381766 0.000000 Cu\n0.618234 0.881766 0.000000 Cu\n0.381766 0.118234 0.000000 Cu\n",
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"elements": [
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],
"chemical_system": "Cu-Mg-Tb",
"density": 7.069718442235569,
"density_atomic": 0.04536499551028538,
"volume": 220.43427729939373,
"volume_molar": 13.274862462258218,
"formula_full": "Tb4 Mg2 Cu4",
"formula_reduced": "Tb2MgCu2",
"formula_anonymous": "AB2C2",
"energy": -40.42919293,
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"updated_at": "2021-11-28T01:37:28.458000Z",
"spacegroup": 127
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]
}