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{
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{
"id": "mp-1217694",
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"structure_string": "Tb2 Ga3 Cu1\n1.0\n-2.191469 -3.796858 0.000020\n-2.191530 3.796893 -0.000018\n0.000003 0.000038 -7.232500\nTb Ga Cu\n2 3 1\ndirect\n0.999994 0.000005 0.731608 Tb\n0.999992 0.000006 0.260439 Tb\n0.333374 0.666630 0.475554 Ga\n0.333342 0.666663 0.045862 Ga\n0.666655 0.333343 0.950678 Ga\n0.666644 0.333353 0.535858 Cu\n",
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{
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"formula_full": "Tb4 Ga18 Co6",
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"updated_at": "2021-11-28T01:36:28.154000Z",
"spacegroup": 63
},
{
"id": "mp-1217733",
"created_at": "2022-09-04T14:48:25.583888Z",
"structure_string": "Tb2 Ga3 Co14\n1.0\n4.197894 2.423654 4.109970\n-4.197894 2.423654 4.109970\n0.000000 -4.847310 4.109970\nTb Ga Co\n2 3 14\ndirect\n0.659077 0.659077 0.659077 Tb\n0.333617 0.333617 0.333617 Tb\n0.154940 0.652812 0.652812 Ga\n0.652812 0.652812 0.154940 Ga\n0.652812 0.154940 0.652812 Ga\n0.907305 0.907305 0.907305 Co\n0.095593 0.095593 0.095593 Co\n0.004542 0.004542 0.495895 Co\n0.004542 0.495895 0.004542 Co\n0.495895 0.004542 0.004542 Co\n0.286986 0.714194 0.000945 Co\n0.714194 0.000945 0.286986 Co\n0.000945 0.286986 0.714194 Co\n0.286986 0.000945 0.714194 Co\n0.000945 0.714194 0.286986 Co\n0.714194 0.286986 0.000945 Co\n0.855020 0.339798 0.339798 Co\n0.339798 0.339798 0.855020 Co\n0.339798 0.855020 0.339798 Co\n",
"nsites": 19,
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"volume": 250.89505978731847,
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"formula_full": "Tb2 Ga3 Co14",
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"formula_anonymous": "A2B3C14",
"energy": -121.79647658,
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"updated_at": "2021-11-28T01:39:34.307000Z",
"spacegroup": 160
},
{
"id": "mp-1217717",
"created_at": "2022-09-04T14:45:42.921886Z",
"structure_string": "Tb2 Fe1 Si4\n1.0\n0.000000 0.000000 4.058573\n4.051496 0.000000 0.000000\n2.025748 7.909751 0.000000\nTb Fe Si\n2 1 4\ndirect\n0.250000 0.608040 0.783919 Tb\n0.750000 0.389245 0.221509 Tb\n0.250000 0.247958 0.504084 Fe\n0.250000 0.806001 0.387998 Si\n0.750000 0.195476 0.609049 Si\n0.250000 0.961943 0.076115 Si\n0.750000 0.041337 0.917326 Si\n",
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"elements": [
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],
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"density": 6.205366919001539,
"density_atomic": 0.0538203418101358,
"volume": 130.06234751711878,
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"formula_full": "Tb2 Fe1 Si4",
"formula_reduced": "Tb2FeSi4",
"formula_anonymous": "AB2C4",
"energy": -42.89302981,
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"updated_at": "2021-11-28T01:37:11.782000Z",
"spacegroup": 38
},
{
"id": "mp-31094",
"created_at": "2022-09-04T14:44:29.737123Z",
"structure_string": "Tb4 Fe2 Si4\n1.0\n2.074303 5.298686 0.000000\n-2.074303 5.298686 0.000000\n0.000000 4.947242 8.718092\nTb Fe Si\n4 2 4\ndirect\n0.188824 0.188824 0.891581 Tb\n0.811176 0.811176 0.108419 Tb\n0.998558 0.998558 0.672395 Tb\n0.001442 0.001442 0.327605 Tb\n0.727635 0.727635 0.623163 Fe\n0.272365 0.272365 0.376837 Fe\n0.501933 0.501933 0.872680 Si\n0.498067 0.498067 0.127320 Si\n0.342629 0.342629 0.564253 Si\n0.657371 0.657371 0.435747 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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],
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"density": 7.449396211154918,
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"volume": 191.64249787426903,
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"formula_full": "Tb4 Fe2 Si4",
"formula_reduced": "Tb2FeSi2",
"formula_anonymous": "AB2C2",
"energy": -63.78164409000001,
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"updated_at": "2021-11-28T01:36:42.236000Z",
"spacegroup": 12
},
{
"id": "mp-1217709",
"created_at": "2022-09-04T14:40:54.497066Z",
"structure_string": "Tb4 Fe2 Sb2 O14\n1.0\n-3.642898 3.693710 5.170268\n3.642898 -3.693710 5.170268\n3.642898 3.693710 -5.170268\nTb Fe Sb O\n4 2 2 14\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.910980 0.160980 0.750000 O\n0.330355 0.580355 0.750000 O\n0.910209 0.578685 0.740261 O\n0.338424 0.169947 0.759739 O\n0.910209 0.169947 0.331524 O\n0.338424 0.578685 0.168476 O\n0.089020 0.839020 0.250000 O\n0.669645 0.419645 0.250000 O\n0.089791 0.421315 0.259739 O\n0.661576 0.830053 0.240261 O\n0.089791 0.830053 0.668476 O\n0.661576 0.421315 0.831524 O\n0.623187 0.873187 0.750000 O\n0.376813 0.126813 0.250000 O\n",
"nsites": 22,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Fe-O-Sb-Tb",
"density": 7.249496572652271,
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"formula_full": "Tb4 Fe2 Sb2 O14",
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"formula_anonymous": "ABC2D7",
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"spacegroup": 74
},
{
"id": "mp-1217710",
"created_at": "2022-09-04T14:44:19.746137Z",
"structure_string": "Tb2 Fe1 Co3\n1.0\n4.251226 -2.562406 0.000000\n4.251226 2.562406 0.000000\n2.706748 0.000000 4.160812\nTb Fe Co\n2 1 3\ndirect\n0.626896 0.626896 0.626896 Tb\n0.373104 0.373104 0.373104 Tb\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 6,
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"elements": [
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],
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"density": 10.083991625687307,
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"formula_full": "Tb2 Fe1 Co3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 166
},
{
"id": "mp-1104152",
"created_at": "2022-09-04T14:46:37.230420Z",
"structure_string": "Tb4 Fe2 C8\n1.0\n0.000000 0.000000 5.049995\n3.746359 4.850430 2.524997\n-3.746359 4.850430 2.524997\nTb Fe C\n4 2 8\ndirect\n0.644365 0.197773 0.513498 Tb\n0.355635 0.802227 0.486502 Tb\n0.144365 0.513498 0.197773 Tb\n0.855635 0.486502 0.802227 Tb\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.872188 0.791570 0.464055 C\n0.127812 0.208430 0.535945 C\n0.372188 0.464055 0.791570 C\n0.627812 0.535945 0.208430 C\n0.922388 0.913332 0.241893 C\n0.077612 0.086668 0.758107 C\n0.422388 0.241893 0.913332 C\n0.577612 0.758107 0.086668 C\n",
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"formula_full": "Tb4 Fe2 C8",
"formula_reduced": "Tb2FeC4",
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"energy": -113.2175024,
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"spacegroup": 72
},
{
"id": "mp-1217719",
"created_at": "2022-09-04T14:44:04.117360Z",
"structure_string": "Tb2 Fe4 Si9\n1.0\n1.974394 -3.419751 0.000000\n1.974394 3.419751 0.000000\n0.000000 0.000000 16.083842\nTb Fe Si\n2 4 9\ndirect\n0.333333 0.666667 0.241583 Tb\n0.666667 0.333333 0.758417 Tb\n0.333333 0.666667 0.588394 Fe\n0.666667 0.333333 0.411606 Fe\n0.666667 0.333333 0.101603 Fe\n0.333333 0.666667 0.898397 Fe\n0.333333 0.666667 0.434756 Si\n0.666667 0.333333 0.565244 Si\n0.666667 0.333333 0.956871 Si\n0.333333 0.666667 0.043129 Si\n0.000000 0.000000 0.648877 Si\n0.000000 0.000000 0.351123 Si\n0.000000 0.000000 0.126538 Si\n0.000000 0.000000 0.873462 Si\n0.000000 0.000000 0.500000 Si\n",
"nsites": 15,
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"elements": [
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"density": 6.070460082645967,
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"volume": 217.19413900066775,
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"formula_full": "Tb2 Fe4 Si9",
"formula_reduced": "Tb2Fe4Si9",
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"energy": -96.42936832,
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{
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"created_at": "2022-09-04T14:41:55.315816Z",
"structure_string": "Tb8 Fe12 Si20\n1.0\n10.392710 0.000000 0.000000\n0.000000 10.392710 0.000000\n0.000000 0.000000 5.507792\nTb Fe Si\n8 12 20\ndirect\n0.235979 0.069484 0.000000 Tb\n0.069484 0.764021 0.000000 Tb\n0.930516 0.235979 0.000000 Tb\n0.764021 0.930516 0.000000 Tb\n0.264021 0.569484 0.500000 Tb\n0.735979 0.430516 0.500000 Tb\n0.569484 0.735979 0.500000 Tb\n0.430516 0.264021 0.500000 Tb\n0.854797 0.122988 0.500000 Fe\n0.000000 0.500000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.000000 0.500000 0.750000 Fe\n0.354797 0.377012 0.000000 Fe\n0.377012 0.645203 0.000000 Fe\n0.622988 0.354797 0.000000 Fe\n0.645203 0.622988 0.000000 Fe\n0.122988 0.145203 0.500000 Fe\n0.877012 0.854797 0.500000 Fe\n0.145203 0.877012 0.500000 Fe\n0.500000 0.000000 0.250000 Fe\n0.320197 0.021394 0.500000 Si\n0.679803 0.978606 0.500000 Si\n0.978606 0.320197 0.500000 Si\n0.021394 0.679803 0.500000 Si\n0.521394 0.820197 0.000000 Si\n0.820197 0.478606 0.000000 Si\n0.179803 0.521394 0.000000 Si\n0.478606 0.179803 0.000000 Si\n0.677304 0.177304 0.750000 Si\n0.177304 0.322696 0.750000 Si\n0.822696 0.677304 0.750000 Si\n0.322696 0.822696 0.750000 Si\n0.322696 0.822696 0.250000 Si\n0.822696 0.677304 0.250000 Si\n0.177304 0.322696 0.250000 Si\n0.000000 0.000000 0.271216 Si\n0.500000 0.500000 0.771216 Si\n0.000000 0.000000 0.728784 Si\n0.500000 0.500000 0.228784 Si\n0.677304 0.177304 0.250000 Si\n",
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"volume": 594.8879179101048,
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"formula_full": "Tb8 Fe12 Si20",
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{
"id": "mp-1077982",
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"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n0.000000 -4.519826 0.000000\n2.969042 -2.259913 -4.034864\n2.999823 -2.259913 3.874775\nTb Fe Si C\n2 2 2 1\ndirect\n0.593291 0.095155 0.718264 Tb\n0.406709 0.904845 0.281736 Tb\n0.206096 0.721342 0.866468 Fe\n0.793904 0.278658 0.133532 Fe\n0.132552 0.487297 0.247598 Si\n0.867448 0.512703 0.752402 Si\n0.500000 0.500000 0.500000 C\n",
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"formula_full": "Tb2 Fe2 Si2 C1",
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},
{
"id": "mp-6624",
"created_at": "2022-09-04T14:48:13.804433Z",
"structure_string": "Tb2 Fe2 Si2 C1\n1.0\n1.969328 5.296085 0.000000\n-1.969328 5.296085 0.000000\n0.000000 4.297659 5.224708\nTb Fe Si C\n2 2 2 1\ndirect\n0.059085 0.059085 0.205854 Tb\n0.940915 0.940915 0.794146 Tb\n0.299503 0.299503 0.594602 Fe\n0.700497 0.700497 0.405398 Fe\n0.336591 0.336591 0.219143 Si\n0.663409 0.663409 0.780857 Si\n0.500000 0.500000 0.500000 C\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Tb",
"Fe",
"Si",
"C"
],
"chemical_system": "C-Fe-Si-Tb",
"density": 7.583527437918212,
"density_atomic": 0.06422927477841771,
"volume": 108.98457166376316,
"volume_molar": 9.376006160392702,
"formula_full": "Tb2 Fe2 Si2 C1",
"formula_reduced": "Tb2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy": -50.93879997,
"energy_per_atom": -7.276971424285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.08079997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.32e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.479000Z",
"spacegroup": 12
}
]
}