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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=1716",
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"results": [
{
"id": "mp-30229",
"created_at": "2022-09-04T14:41:58.287342Z",
"structure_string": "Tb20 C8 Br36\n1.0\n16.670856 0.000000 0.000000\n0.000000 10.238962 0.000000\n0.000000 7.137552 11.556151\nTb C Br\n20 8 36\ndirect\n0.814368 0.713624 0.444026 Tb\n0.314368 0.286376 0.055974 Tb\n0.185632 0.286376 0.555974 Tb\n0.685632 0.713624 0.944026 Tb\n0.055048 0.508656 0.237150 Tb\n0.555048 0.491344 0.262850 Tb\n0.944952 0.491344 0.762850 Tb\n0.444952 0.508656 0.737150 Tb\n0.837723 0.512883 0.278650 Tb\n0.337723 0.487117 0.221350 Tb\n0.162277 0.487117 0.721350 Tb\n0.662277 0.512883 0.778650 Tb\n0.941798 0.858343 0.187148 Tb\n0.441798 0.141657 0.312852 Tb\n0.058202 0.141657 0.812852 Tb\n0.558202 0.858343 0.687148 Tb\n0.039900 0.660891 0.465509 Tb\n0.539900 0.339109 0.034491 Tb\n0.960100 0.339109 0.534491 Tb\n0.460100 0.660891 0.965509 Tb\n0.969028 0.573526 0.330557 C\n0.469028 0.426474 0.169443 C\n0.030972 0.426474 0.669443 C\n0.530972 0.573526 0.830557 C\n0.912014 0.628448 0.379521 C\n0.412014 0.371552 0.120479 C\n0.087986 0.371552 0.620479 C\n0.587986 0.628448 0.879521 C\n0.062888 0.963452 0.264568 Br\n0.562888 0.036548 0.235432 Br\n0.937112 0.036548 0.735432 Br\n0.437112 0.963452 0.764568 Br\n0.068108 0.203511 0.441641 Br\n0.568108 0.796489 0.058359 Br\n0.931892 0.796489 0.558359 Br\n0.431892 0.203511 0.941641 Br\n0.198637 0.578787 0.329825 Br\n0.698637 0.421213 0.170175 Br\n0.801363 0.421213 0.670175 Br\n0.301363 0.578787 0.829825 Br\n0.817534 0.802462 0.062444 Br\n0.317534 0.197538 0.437556 Br\n0.182466 0.197538 0.937556 Br\n0.682466 0.802462 0.562444 Br\n0.693584 0.598229 0.358274 Br\n0.193584 0.401771 0.141726 Br\n0.306416 0.401771 0.641726 Br\n0.806416 0.598229 0.858274 Br\n0.821283 0.003966 0.247235 Br\n0.321283 0.996034 0.252765 Br\n0.178717 0.996034 0.752765 Br\n0.678717 0.003966 0.747235 Br\n0.931811 0.411171 0.154512 Br\n0.431811 0.588829 0.345488 Br\n0.068189 0.588829 0.845488 Br\n0.568189 0.411171 0.654512 Br\n0.057416 0.818684 0.041355 Br\n0.557416 0.181316 0.458645 Br\n0.942584 0.181316 0.958645 Br\n0.442584 0.818684 0.541355 Br\n0.827552 0.220257 0.468037 Br\n0.327552 0.779743 0.031963 Br\n0.172448 0.779743 0.531963 Br\n0.672448 0.220257 0.968037 Br\n",
"nsites": 64,
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"elements": [
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"C",
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],
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"density": 5.178183419334716,
"density_atomic": 0.03244538520505178,
"volume": 1972.5455437044752,
"volume_molar": 18.560854562029814,
"formula_full": "Tb20 C8 Br36",
"formula_reduced": "Tb5C2Br9",
"formula_anonymous": "A2B5C9",
"energy": -347.11031533,
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"band_gap": 0.6579000000000002,
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"updated_at": "2021-11-28T01:35:33.288000Z",
"spacegroup": 14
},
{
"id": "mp-31007",
"created_at": "2022-09-04T14:47:17.829567Z",
"structure_string": "Tb5 Br8\n1.0\n1.971310 10.176227 0.000000\n-1.971310 10.176227 0.000000\n0.000000 9.382664 10.554792\nTb Br\n5 8\ndirect\n0.858813 0.858813 0.652403 Tb\n0.141187 0.141187 0.347597 Tb\n0.514503 0.514503 0.623425 Tb\n0.485497 0.485497 0.376575 Tb\n0.000000 0.000000 0.000000 Tb\n0.967564 0.967564 0.230452 Br\n0.032436 0.032436 0.769548 Br\n0.296947 0.296947 0.574358 Br\n0.703053 0.703053 0.425642 Br\n0.633268 0.633268 0.897559 Br\n0.672618 0.672618 0.168345 Br\n0.327382 0.327382 0.831655 Br\n0.366732 0.366732 0.102441 Br\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Tb",
"Br"
],
"chemical_system": "Br-Tb",
"density": 5.622559789145481,
"density_atomic": 0.030698840064606523,
"volume": 423.46876861279304,
"volume_molar": 19.61683486192392,
"formula_full": "Tb5 Br8",
"formula_reduced": "Tb5Br8",
"formula_anonymous": "A5B8",
"energy": -60.04883301999999,
"energy_per_atom": -4.619141001538461,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:06.801000Z",
"spacegroup": 12
},
{
"id": "mp-1208418",
"created_at": "2022-09-04T14:39:58.810473Z",
"structure_string": "Tb10 Bi2 Pt4\n1.0\n-3.921386 3.921386 6.946772\n3.921386 -3.921386 6.946772\n3.921386 3.921386 -6.946772\nTb Bi Pt\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.792711 0.292711 0.813960 Tb\n0.207289 0.707289 0.186040 Tb\n0.478750 0.978750 0.186040 Tb\n0.292711 0.478750 0.500000 Tb\n0.021250 0.207289 0.500000 Tb\n0.521250 0.021250 0.813960 Tb\n0.707289 0.521250 0.500000 Tb\n0.978750 0.792711 0.500000 Tb\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137561 0.637561 0.775123 Pt\n0.862439 0.362439 0.224877 Pt\n0.637561 0.862439 0.500000 Pt\n0.362439 0.137561 0.500000 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Bi",
"Pt"
],
"chemical_system": "Bi-Pt-Tb",
"density": 10.833021018257494,
"density_atomic": 0.037445338267384096,
"volume": 427.289503589194,
"volume_molar": 16.082484599279073,
"formula_full": "Tb10 Bi2 Pt4",
"formula_reduced": "Tb5BiPt2",
"formula_anonymous": "AB2C5",
"energy": -92.96821462,
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"updated_at": "2021-11-28T01:34:43.443000Z",
"spacegroup": 140
},
{
"id": "mp-1208420",
"created_at": "2022-09-04T14:39:09.060804Z",
"structure_string": "Tb10 Bi2 Pd4\n1.0\n-3.940622 3.940622 6.875902\n3.940622 -3.940622 6.875902\n3.940622 3.940622 -6.875902\nTb Bi Pd\n10 2 4\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.000000 Tb\n0.795284 0.295284 0.810884 Tb\n0.204716 0.704716 0.189116 Tb\n0.484400 0.984400 0.189116 Tb\n0.295284 0.484400 0.500000 Tb\n0.015600 0.204716 0.500000 Tb\n0.515600 0.015600 0.810884 Tb\n0.704716 0.515600 0.500000 Tb\n0.984400 0.795284 0.500000 Tb\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.135769 0.635769 0.771538 Pd\n0.864231 0.364231 0.228462 Pd\n0.635769 0.864231 0.500000 Pd\n0.364231 0.135769 0.500000 Pd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Pd"
],
"chemical_system": "Bi-Pd-Tb",
"density": 9.459171805963718,
"density_atomic": 0.03746284520998557,
"volume": 427.0898248736127,
"volume_molar": 16.074969015954032,
"formula_full": "Tb10 Bi2 Pd4",
"formula_reduced": "Tb5BiPd2",
"formula_anonymous": "AB2C5",
"energy": -85.86289493,
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"updated_at": "2021-11-28T01:34:29.757000Z",
"spacegroup": 140
},
{
"id": "mp-570187",
"created_at": "2022-09-04T14:39:37.644235Z",
"structure_string": "Tb10 Bi2 Au4\n1.0\n-3.739206 3.739206 8.773038\n3.739206 -3.739206 8.773038\n3.739206 3.739206 -8.773038\nTb Bi Au\n10 2 4\ndirect\n0.500628 0.328074 0.500000 Tb\n0.828074 0.000628 0.500000 Tb\n0.671926 0.171926 0.172554 Tb\n0.999372 0.499372 0.827446 Tb\n0.328074 0.828074 0.827446 Tb\n0.171926 0.999372 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.499372 0.671926 0.500000 Tb\n0.000628 0.500628 0.172554 Tb\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.000000 Bi\n0.250000 0.250000 0.000000 Bi\n0.626625 0.873375 0.500000 Au\n0.873375 0.373375 0.246750 Au\n0.126625 0.626625 0.753250 Au\n0.373375 0.126625 0.500000 Au\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Bi",
"Au"
],
"chemical_system": "Au-Bi-Tb",
"density": 9.45964076073845,
"density_atomic": 0.032610029898407965,
"volume": 490.6465909367696,
"volume_molar": 18.467142712721042,
"formula_full": "Tb10 Bi2 Au4",
"formula_reduced": "Tb5BiAu2",
"formula_anonymous": "AB2C5",
"energy": -72.41449276,
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"updated_at": "2021-11-28T01:34:25.340000Z",
"spacegroup": 140
},
{
"id": "mp-1179009",
"created_at": "2022-09-04T14:41:36.775357Z",
"structure_string": "Tb10 Bi2 Au4\n1.0\n-4.101033 4.101033 6.594666\n4.101033 -4.101033 6.594666\n4.101033 4.101033 -6.594666\nTb Bi Au\n10 2 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Tb\n0.515386 0.015386 0.811350 Tb\n0.204036 0.704036 0.188650 Tb\n0.015386 0.204036 0.500000 Tb\n0.704036 0.515386 0.500000 Tb\n0.484614 0.984614 0.188650 Tb\n0.795964 0.295964 0.811350 Tb\n0.984614 0.795964 0.500000 Tb\n0.295964 0.484614 0.500000 Tb\n0.250000 0.250000 0.000000 Bi\n0.750000 0.750000 0.000000 Bi\n0.137246 0.637246 0.774492 Au\n0.862754 0.362754 0.225508 Au\n0.637246 0.862754 0.500000 Au\n0.362754 0.137246 0.500000 Au\n",
"nsites": 16,
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"elements": [
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"Au"
],
"chemical_system": "Au-Bi-Tb",
"density": 10.461744410663409,
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"volume": 443.64881309966063,
"volume_molar": 16.698222503081805,
"formula_full": "Tb10 Bi2 Au4",
"formula_reduced": "Tb5BiAu2",
"formula_anonymous": "AB2C5",
"energy": -78.18546357,
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"updated_at": "2021-11-28T01:35:28.319000Z",
"spacegroup": 140
},
{
"id": "mp-1189848",
"created_at": "2022-09-04T14:41:48.746213Z",
"structure_string": "Tb10 Bi6\n1.0\n4.625186 -8.011058 0.000000\n4.625186 8.011058 0.000000\n0.000000 0.000000 6.383207\nTb Bi\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\n0.755486 0.755486 0.750000 Tb\n0.244514 0.000000 0.750000 Tb\n0.000000 0.244514 0.750000 Tb\n0.244514 0.244514 0.250000 Tb\n0.755486 0.000000 0.250000 Tb\n0.000000 0.755486 0.250000 Tb\n0.387367 0.387367 0.750000 Bi\n0.612633 0.000000 0.750000 Bi\n0.000000 0.612633 0.750000 Bi\n0.612633 0.612633 0.250000 Bi\n0.387367 0.000000 0.250000 Bi\n0.000000 0.387367 0.250000 Bi\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Bi-Tb",
"density": 9.980647429062651,
"density_atomic": 0.03382454631986792,
"volume": 473.02925658464466,
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"formula_full": "Tb10 Bi6",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
"energy": -80.97600761,
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"updated_at": "2021-11-28T01:35:25.261000Z",
"spacegroup": 193
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{
"id": "mp-31463",
"created_at": "2022-09-04T14:39:08.141605Z",
"structure_string": "Tb20 Bi12\n1.0\n8.302245 0.000000 0.000000\n0.000000 9.587123 0.000000\n0.000000 0.000000 12.111782\nTb Bi\n20 12\ndirect\n0.352577 0.750000 0.214462 Tb\n0.852577 0.750000 0.285538 Tb\n0.647423 0.250000 0.785538 Tb\n0.147423 0.250000 0.714462 Tb\n0.693559 0.562669 0.057970 Tb\n0.193559 0.937331 0.442030 Tb\n0.306441 0.062669 0.942030 Tb\n0.806441 0.437331 0.557970 Tb\n0.306441 0.437331 0.942030 Tb\n0.806441 0.062669 0.557970 Tb\n0.693559 0.937331 0.057970 Tb\n0.193559 0.562669 0.442030 Tb\n0.475428 0.250000 0.488269 Tb\n0.975428 0.250000 0.011731 Tb\n0.524572 0.750000 0.511731 Tb\n0.024572 0.750000 0.988269 Tb\n0.313170 0.250000 0.219530 Tb\n0.813170 0.250000 0.280470 Tb\n0.686830 0.750000 0.780470 Tb\n0.186830 0.750000 0.719530 Tb\n0.408599 0.750000 0.956943 Bi\n0.908599 0.750000 0.543057 Bi\n0.591401 0.250000 0.043057 Bi\n0.091401 0.250000 0.456943 Bi\n0.564759 0.995502 0.325282 Bi\n0.064759 0.504498 0.174718 Bi\n0.435241 0.495502 0.674718 Bi\n0.935241 0.004498 0.825282 Bi\n0.435241 0.004498 0.674718 Bi\n0.935241 0.495502 0.825282 Bi\n0.564759 0.504498 0.325282 Bi\n0.064759 0.995502 0.174718 Bi\n",
"nsites": 32,
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"elements": [
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"density": 9.794557549868808,
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"volume": 964.0329763882369,
"volume_molar": 18.14231962841162,
"formula_full": "Tb20 Bi12",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
"energy": -161.73022626,
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"updated_at": "2021-11-28T01:34:30.245000Z",
"spacegroup": 62
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{
"id": "mp-1198601",
"created_at": "2022-09-04T14:42:18.588556Z",
"structure_string": "Tb20 Bi12\n1.0\n8.363680 0.000000 0.000000\n0.000000 9.547312 0.000000\n0.000000 0.000000 12.164754\nTb Bi\n20 12\ndirect\n0.807768 0.561013 0.065790 Tb\n0.692232 0.938987 0.565790 Tb\n0.192232 0.061013 0.934210 Tb\n0.307768 0.438987 0.434210 Tb\n0.192232 0.438987 0.934210 Tb\n0.307768 0.061013 0.434210 Tb\n0.807768 0.938987 0.065790 Tb\n0.692232 0.561013 0.565790 Tb\n0.172488 0.750000 0.229540 Tb\n0.327512 0.750000 0.729540 Tb\n0.827512 0.250000 0.770460 Tb\n0.672488 0.250000 0.270460 Tb\n0.475433 0.750000 0.004245 Tb\n0.024567 0.750000 0.504245 Tb\n0.524567 0.250000 0.995755 Tb\n0.975433 0.250000 0.495755 Tb\n0.657087 0.750000 0.291495 Tb\n0.842913 0.750000 0.791495 Tb\n0.342913 0.250000 0.708505 Tb\n0.157087 0.250000 0.208505 Tb\n0.402924 0.750000 0.475438 Bi\n0.097076 0.750000 0.975438 Bi\n0.597076 0.250000 0.524562 Bi\n0.902924 0.250000 0.024562 Bi\n0.934424 0.508289 0.325129 Bi\n0.565576 0.991711 0.825129 Bi\n0.065576 0.008289 0.674871 Bi\n0.434424 0.491711 0.174871 Bi\n0.065576 0.491711 0.674871 Bi\n0.434424 0.008289 0.174871 Bi\n0.934424 0.991711 0.325129 Bi\n0.565576 0.508289 0.825129 Bi\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Bi-Tb",
"density": 9.720639968037993,
"density_atomic": 0.03294337759094051,
"volume": 971.3636651756092,
"volume_molar": 18.280277252615715,
"formula_full": "Tb20 Bi12",
"formula_reduced": "Tb5Bi3",
"formula_anonymous": "A3B5",
"energy": -161.48358649,
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"total_magnetization": 8e-07,
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"updated_at": "2021-11-28T01:35:42.837000Z",
"spacegroup": 62
},
{
"id": "mp-33449",
"created_at": "2022-09-04T14:41:22.021467Z",
"structure_string": "Tb5 Ag1 S8\n1.0\n-4.172850 4.172850 4.197513\n4.172850 -4.172850 4.197513\n4.172850 4.172850 -4.197513\nTb Ag S\n5 1 8\ndirect\n0.378672 0.764658 0.881118 Tb\n0.502447 0.621328 0.385986 Tb\n0.883540 0.497553 0.118882 Tb\n0.750000 0.250000 0.500000 Tb\n0.235342 0.116460 0.614014 Tb\n0.000000 0.000000 0.000000 Ag\n0.271589 0.879741 0.252166 S\n0.757354 0.868298 0.259299 S\n0.131702 0.391001 0.889056 S\n0.980577 0.728411 0.608152 S\n0.120259 0.372425 0.391848 S\n0.608999 0.498054 0.740701 S\n0.501946 0.242646 0.110944 S\n0.627575 0.019423 0.747834 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-S-Tb",
"density": 6.582949857629312,
"density_atomic": 0.047886207974549296,
"volume": 292.35975434598544,
"volume_molar": 12.575939951646758,
"formula_full": "Tb5 Ag1 S8",
"formula_reduced": "Tb5AgS8",
"formula_anonymous": "AB5C8",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.68804623,
"band_gap": 1.7047999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.132000Z",
"spacegroup": 82
},
{
"id": "mp-1106409",
"created_at": "2022-09-04T14:47:17.997250Z",
"structure_string": "Tb4 Zr1 Al15\n1.0\n12.140946 -3.034541 0.000000\n12.140946 3.034541 0.000000\n11.382485 0.000000 5.200967\nTb Zr Al\n4 1 15\ndirect\n0.869156 0.869156 0.869156 Tb\n0.130844 0.130844 0.130844 Tb\n0.600156 0.600156 0.600156 Tb\n0.399844 0.399844 0.399844 Tb\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.363588 0.871688 0.363588 Al\n0.363588 0.363588 0.871688 Al\n0.871688 0.363588 0.363588 Al\n0.636412 0.128312 0.636412 Al\n0.636412 0.636412 0.128312 Al\n0.128312 0.636412 0.636412 Al\n0.117035 0.572158 0.117035 Al\n0.117035 0.117035 0.572158 Al\n0.572158 0.117035 0.117035 Al\n0.882965 0.427842 0.882965 Al\n0.882965 0.882965 0.427842 Al\n0.427842 0.882965 0.882965 Al\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Zr",
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],
"chemical_system": "Al-Tb-Zr",
"density": 4.903441637115105,
"density_atomic": 0.052187965265416435,
"volume": 383.23011633591057,
"volume_molar": 11.539328520230145,
"formula_full": "Tb4 Zr1 Al15",
"formula_reduced": "Tb4ZrAl15",
"formula_anonymous": "AB4C15",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:06.661000Z",
"spacegroup": 166
},
{
"id": "mp-567401",
"created_at": "2022-09-04T14:41:36.723404Z",
"structure_string": "Tb8 Zn10 Ge12\n1.0\n2.133489 -9.260162 0.000000\n2.133489 9.260162 0.000000\n0.000000 0.000000 15.846717\nTb Zn Ge\n8 10 12\ndirect\n0.320420 0.679580 0.508052 Tb\n0.532934 0.467066 0.821229 Tb\n0.672303 0.327697 0.366611 Tb\n0.679580 0.320420 0.008052 Tb\n0.467066 0.532934 0.321229 Tb\n0.466703 0.533297 0.050738 Tb\n0.533297 0.466703 0.550738 Tb\n0.327697 0.672303 0.866611 Tb\n0.074800 0.925200 0.104527 Zn\n0.790136 0.209864 0.678029 Zn\n0.353087 0.646913 0.182699 Zn\n0.646913 0.353087 0.682699 Zn\n0.068626 0.931374 0.268286 Zn\n0.209864 0.790136 0.178029 Zn\n0.931374 0.068626 0.768286 Zn\n0.844378 0.155622 0.323686 Zn\n0.155622 0.844378 0.823686 Zn\n0.925200 0.074800 0.604527 Zn\n0.067937 0.932063 0.949947 Ge\n0.724256 0.275744 0.821838 Ge\n0.069920 0.930080 0.426181 Ge\n0.615612 0.384388 0.186249 Ge\n0.059124 0.940876 0.686378 Ge\n0.940876 0.059124 0.186378 Ge\n0.384388 0.615612 0.686249 Ge\n0.711588 0.288412 0.544450 Ge\n0.288412 0.711588 0.044450 Ge\n0.930080 0.069920 0.926181 Ge\n0.275744 0.724256 0.321838 Ge\n0.932063 0.067937 0.449947 Ge\n",
"nsites": 30,
"nelements": 3,
"elements": [
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"Zn",
"Ge"
],
"chemical_system": "Ge-Tb-Zn",
"density": 7.41805593408793,
"density_atomic": 0.047911852656441545,
"volume": 626.1498634819881,
"volume_molar": 12.569208715811053,
"formula_full": "Tb8 Zn10 Ge12",
"formula_reduced": "Tb4Zn5Ge6",
"formula_anonymous": "A4B5C6",
"energy": -119.54134256,
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"band_gap": 0.0,
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"total_magnetization": 0.0038362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.633000Z",
"spacegroup": 36
}
]
}