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"results": [
{
"id": "mp-1204728",
"created_at": "2022-09-04T14:41:21.753638Z",
"structure_string": "Tm10 Mn13 C18\n1.0\n-4.995314 4.995314 4.995314\n4.995314 -4.995314 4.995314\n4.995314 4.995314 -4.995314\nTm Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Tm\n0.750000 0.500000 0.250000 Tm\n0.250000 0.750000 0.500000 Tm\n0.250000 0.500000 0.750000 Tm\n0.500000 0.250000 0.750000 Tm\n0.750000 0.250000 0.500000 Tm\n0.409870 0.000000 0.000000 Tm\n0.000000 0.409870 0.000000 Tm\n0.000000 0.000000 0.409870 Tm\n0.590130 0.590130 0.590130 Tm\n0.000000 0.000000 0.000000 Mn\n0.665358 0.819882 0.000000 Mn\n0.845475 0.180118 0.180118 Mn\n0.665358 0.000000 0.819882 Mn\n0.819882 0.665358 0.000000 Mn\n0.000000 0.665358 0.819882 Mn\n0.180118 0.845475 0.180118 Mn\n0.180118 0.180118 0.845475 Mn\n0.000000 0.819882 0.665358 Mn\n0.819882 0.000000 0.665358 Mn\n0.334642 0.334642 0.154525 Mn\n0.154525 0.334642 0.334642 Mn\n0.334642 0.154525 0.334642 Mn\n0.702930 0.221725 0.000000 C\n0.481205 0.778275 0.778275 C\n0.702930 0.000000 0.221725 C\n0.221725 0.702930 0.000000 C\n0.000000 0.702930 0.221725 C\n0.778275 0.481205 0.778275 C\n0.778275 0.778275 0.481205 C\n0.000000 0.221725 0.702930 C\n0.221725 0.000000 0.702930 C\n0.297070 0.297070 0.518795 C\n0.518795 0.297070 0.297070 C\n0.297070 0.518795 0.297070 C\n0.569140 0.569140 0.000000 C\n0.000000 0.430860 0.430860 C\n0.569140 0.000000 0.569140 C\n0.000000 0.569140 0.569140 C\n0.430860 0.000000 0.430860 C\n0.430860 0.430860 0.000000 C\n",
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{
"id": "mp-1198824",
"created_at": "2022-09-04T14:46:11.415850Z",
"structure_string": "Er10 Mn13 C18\n1.0\n-5.008303 5.008303 5.008303\n5.008303 -5.008303 5.008303\n5.008303 5.008303 -5.008303\nEr Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Er\n0.750000 0.500000 0.250000 Er\n0.250000 0.750000 0.500000 Er\n0.250000 0.500000 0.750000 Er\n0.500000 0.250000 0.750000 Er\n0.750000 0.250000 0.500000 Er\n0.409697 0.000000 0.000000 Er\n0.000000 0.409697 0.000000 Er\n0.000000 0.000000 0.409697 Er\n0.590303 0.590303 0.590303 Er\n0.000000 0.000000 0.000000 Mn\n0.665906 0.819091 0.000000 Mn\n0.846815 0.180909 0.180909 Mn\n0.665906 0.000000 0.819091 Mn\n0.819091 0.665906 0.000000 Mn\n0.000000 0.665906 0.819091 Mn\n0.180909 0.846815 0.180909 Mn\n0.180909 0.180909 0.846815 Mn\n0.000000 0.819091 0.665906 Mn\n0.819091 0.000000 0.665906 Mn\n0.334094 0.334094 0.153185 Mn\n0.153185 0.334094 0.334094 Mn\n0.334094 0.153185 0.334094 Mn\n0.703194 0.220277 0.000000 C\n0.482917 0.779723 0.779723 C\n0.703194 0.000000 0.220277 C\n0.220277 0.703194 0.000000 C\n0.000000 0.703194 0.220277 C\n0.779723 0.482917 0.779723 C\n0.779723 0.779723 0.482917 C\n0.000000 0.220277 0.703194 C\n0.220277 0.000000 0.703194 C\n0.296806 0.296806 0.517083 C\n0.517083 0.296806 0.296806 C\n0.296806 0.517083 0.296806 C\n0.569124 0.569124 0.000000 C\n0.000000 0.430876 0.430876 C\n0.569124 0.000000 0.569124 C\n0.000000 0.569124 0.569124 C\n0.430876 0.000000 0.430876 C\n0.430876 0.430876 0.000000 C\n",
"nsites": 41,
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"elements": [
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"density": 8.60176712695727,
"density_atomic": 0.08159284538978129,
"volume": 502.4950386781689,
"volume_molar": 7.380721595418482,
"formula_full": "Er10 Mn13 C18",
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"formula_anonymous": "A10B13C18",
"energy": -344.59219973,
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"updated_at": "2021-11-28T01:37:22.596000Z",
"spacegroup": 217
},
{
"id": "mp-1197004",
"created_at": "2022-09-04T14:41:52.526792Z",
"structure_string": "Tb10 Mn13 C18\n1.0\n-5.044062 5.044062 5.044062\n5.044062 -5.044062 5.044062\n5.044062 5.044062 -5.044062\nTb Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Tb\n0.750000 0.500000 0.250000 Tb\n0.250000 0.750000 0.500000 Tb\n0.250000 0.500000 0.750000 Tb\n0.500000 0.250000 0.750000 Tb\n0.750000 0.250000 0.500000 Tb\n0.407436 0.000000 0.000000 Tb\n0.000000 0.407436 0.000000 Tb\n0.000000 0.000000 0.407436 Tb\n0.592564 0.592564 0.592564 Tb\n0.000000 0.000000 0.000000 Mn\n0.669259 0.823405 0.000000 Mn\n0.845854 0.176595 0.176595 Mn\n0.669259 0.000000 0.823405 Mn\n0.823405 0.669259 0.000000 Mn\n0.000000 0.669259 0.823405 Mn\n0.176595 0.845854 0.176595 Mn\n0.176595 0.176595 0.845854 Mn\n0.000000 0.823405 0.669259 Mn\n0.823405 0.000000 0.669259 Mn\n0.330741 0.330741 0.154146 Mn\n0.154146 0.330741 0.330741 Mn\n0.330741 0.154146 0.330741 Mn\n0.701816 0.217054 0.000000 C\n0.484762 0.782946 0.782946 C\n0.701816 0.000000 0.217054 C\n0.217054 0.701816 0.000000 C\n0.000000 0.701816 0.217054 C\n0.782946 0.484762 0.782946 C\n0.782946 0.782946 0.484762 C\n0.000000 0.217054 0.701816 C\n0.217054 0.000000 0.701816 C\n0.298184 0.298184 0.515238 C\n0.515238 0.298184 0.298184 C\n0.298184 0.515238 0.298184 C\n0.569676 0.569676 0.000000 C\n0.000000 0.430324 0.430324 C\n0.569676 0.000000 0.569676 C\n0.000000 0.569676 0.569676 C\n0.430324 0.000000 0.430324 C\n0.430324 0.430324 0.000000 C\n",
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"elements": [
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],
"chemical_system": "C-Mn-Tb",
"density": 8.150541631462323,
"density_atomic": 0.07986980368459187,
"volume": 513.3354297690547,
"volume_molar": 7.5399468662544935,
"formula_full": "Tb10 Mn13 C18",
"formula_reduced": "Tb10Mn13C18",
"formula_anonymous": "A10B13C18",
"energy": -343.92064450000004,
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"updated_at": "2021-11-28T01:35:31.720000Z",
"spacegroup": 217
},
{
"id": "mp-1197605",
"created_at": "2022-09-04T14:45:00.624619Z",
"structure_string": "Y10 Mn13 C18\n1.0\n-5.049092 5.049092 5.049092\n5.049092 -5.049092 5.049092\n5.049092 5.049092 -5.049092\nY Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Y\n0.750000 0.500000 0.250000 Y\n0.250000 0.750000 0.500000 Y\n0.250000 0.500000 0.750000 Y\n0.500000 0.250000 0.750000 Y\n0.750000 0.250000 0.500000 Y\n0.408613 0.000000 0.000000 Y\n0.000000 0.408613 0.000000 Y\n0.000000 0.000000 0.408613 Y\n0.591387 0.591387 0.591387 Y\n0.000000 0.000000 0.000000 Mn\n0.666254 0.819809 0.000000 Mn\n0.846445 0.180191 0.180191 Mn\n0.666254 0.000000 0.819809 Mn\n0.819809 0.666254 0.000000 Mn\n0.000000 0.666254 0.819809 Mn\n0.180191 0.846445 0.180191 Mn\n0.180191 0.180191 0.846445 Mn\n0.000000 0.819809 0.666254 Mn\n0.819809 0.000000 0.666254 Mn\n0.333746 0.333746 0.153555 Mn\n0.153555 0.333746 0.333746 Mn\n0.333746 0.153555 0.333746 Mn\n0.703316 0.217991 0.000000 C\n0.485324 0.782009 0.782009 C\n0.703316 0.000000 0.217991 C\n0.217991 0.703316 0.000000 C\n0.000000 0.703316 0.217991 C\n0.782009 0.485324 0.782009 C\n0.782009 0.782009 0.485324 C\n0.000000 0.217991 0.703316 C\n0.217991 0.000000 0.703316 C\n0.296684 0.296684 0.514676 C\n0.514676 0.296684 0.296684 C\n0.296684 0.514676 0.296684 C\n0.568817 0.568817 0.000000 C\n0.000000 0.431183 0.431183 C\n0.568817 0.000000 0.568817 C\n0.000000 0.568817 0.568817 C\n0.431183 0.000000 0.431183 C\n0.431183 0.431183 0.000000 C\n",
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"elements": [
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],
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"density": 5.867976274221824,
"density_atomic": 0.07963133802417206,
"volume": 514.872674719524,
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"formula_full": "Y10 Mn13 C18",
"formula_reduced": "Y10Mn13C18",
"formula_anonymous": "A10B13C18",
"energy": -362.41112505000007,
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"updated_at": "2021-11-28T01:36:52.124000Z",
"spacegroup": 217
},
{
"id": "mp-1199972",
"created_at": "2022-09-04T14:40:41.145756Z",
"structure_string": "Ho10 Mn13 C18\n1.0\n-5.020679 -5.020679 5.020679\n-5.020679 5.020679 -5.020679\n5.020679 -5.020679 -5.020679\nHo Mn C\n10 13 18\ndirect\n0.500000 0.750000 0.250000 Ho\n0.750000 0.500000 0.250000 Ho\n0.250000 0.750000 0.500000 Ho\n0.250000 0.500000 0.750000 Ho\n0.500000 0.250000 0.750000 Ho\n0.750000 0.250000 0.500000 Ho\n0.409117 0.000000 0.000000 Ho\n0.000000 0.409117 0.000000 Ho\n0.000000 0.000000 0.409117 Ho\n0.590883 0.590883 0.590883 Ho\n0.000000 0.000000 0.000000 Mn\n0.666045 0.820047 0.000000 Mn\n0.845999 0.179953 0.179953 Mn\n0.666045 0.000000 0.820047 Mn\n0.820047 0.666045 0.000000 Mn\n0.000000 0.666045 0.820047 Mn\n0.179953 0.845999 0.179953 Mn\n0.179953 0.179953 0.845999 Mn\n0.000000 0.820047 0.666045 Mn\n0.820047 0.000000 0.666045 Mn\n0.333955 0.333955 0.154001 Mn\n0.154001 0.333955 0.333955 Mn\n0.333955 0.154001 0.333955 Mn\n0.703511 0.219771 0.000000 C\n0.483739 0.780229 0.780229 C\n0.703511 0.000000 0.219771 C\n0.219771 0.703511 0.000000 C\n0.000000 0.703511 0.219771 C\n0.780229 0.483739 0.780229 C\n0.780229 0.780229 0.483739 C\n0.000000 0.219771 0.703511 C\n0.219771 0.000000 0.703511 C\n0.296489 0.296489 0.516261 C\n0.516261 0.296489 0.296489 C\n0.296489 0.516261 0.296489 C\n0.568734 0.568734 0.000000 C\n0.000000 0.431266 0.431266 C\n0.568734 0.000000 0.568734 C\n0.000000 0.568734 0.568734 C\n0.431266 0.000000 0.431266 C\n0.431266 0.431266 0.000000 C\n",
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"volume": 506.22939263356216,
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"formula_full": "Ho10 Mn13 C18",
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"energy": -344.39963023,
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{
"id": "mp-1211165",
"created_at": "2022-09-04T14:48:24.365430Z",
"structure_string": "Li26 Si20 Pd28\n1.0\n0.000000 0.000000 4.404078\n12.818273 0.000000 0.000000\n0.000000 18.732963 0.000000\nLi Si Pd\n26 20 28\ndirect\n0.000000 0.021493 0.273118 Li\n0.000000 0.978507 0.726882 Li\n0.500000 0.478507 0.773118 Li\n0.500000 0.521493 0.226882 Li\n0.000000 0.217521 0.224016 Li\n0.000000 0.782479 0.775984 Li\n0.500000 0.282479 0.724016 Li\n0.500000 0.717521 0.275984 Li\n0.000000 0.992993 0.136342 Li\n0.000000 0.007007 0.863658 Li\n0.500000 0.507007 0.636342 Li\n0.500000 0.492993 0.363658 Li\n0.000000 0.204796 0.646584 Li\n0.000000 0.795204 0.353416 Li\n0.500000 0.295204 0.146584 Li\n0.500000 0.704796 0.853416 Li\n0.000000 0.010964 0.585217 Li\n0.000000 0.989036 0.414783 Li\n0.500000 0.489036 0.085217 Li\n0.500000 0.510964 0.914783 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.786147 0.061667 Li\n0.000000 0.213853 0.938333 Li\n0.500000 0.713853 0.561667 Li\n0.500000 0.286147 0.438333 Li\n0.000000 0.195390 0.505033 Si\n0.000000 0.804610 0.494967 Si\n0.500000 0.304610 0.005033 Si\n0.500000 0.695390 0.994967 Si\n0.000000 0.384536 0.310501 Si\n0.000000 0.615464 0.689499 Si\n0.500000 0.115464 0.810501 Si\n0.500000 0.884536 0.189499 Si\n0.000000 0.382824 0.565784 Si\n0.000000 0.617176 0.434216 Si\n0.500000 0.117176 0.065784 Si\n0.500000 0.882824 0.934216 Si\n0.000000 0.373029 0.063638 Si\n0.000000 0.626971 0.936362 Si\n0.500000 0.126971 0.563638 Si\n0.500000 0.873029 0.436362 Si\n0.000000 0.632301 0.180866 Si\n0.000000 0.367699 0.819134 Si\n0.500000 0.867699 0.680866 Si\n0.500000 0.132301 0.319134 Si\n0.000000 0.209305 0.373004 Pd\n0.000000 0.790695 0.626996 Pd\n0.500000 0.290695 0.873004 Pd\n0.500000 0.709305 0.126996 Pd\n0.000000 0.426811 0.438321 Pd\n0.000000 0.573189 0.561679 Pd\n0.500000 0.073189 0.938321 Pd\n0.500000 0.926811 0.061679 Pd\n0.000000 0.578150 0.306684 Pd\n0.000000 0.421850 0.693316 Pd\n0.500000 0.921850 0.806684 Pd\n0.500000 0.078150 0.193316 Pd\n0.000000 0.436682 0.185080 Pd\n0.000000 0.563318 0.814920 Pd\n0.500000 0.063318 0.685080 Pd\n0.500000 0.936682 0.314920 Pd\n0.000000 0.186565 0.085955 Pd\n0.000000 0.813435 0.914045 Pd\n0.500000 0.313435 0.585955 Pd\n0.500000 0.686565 0.414045 Pd\n0.000000 0.571031 0.060151 Pd\n0.000000 0.428969 0.939849 Pd\n0.500000 0.928969 0.560151 Pd\n0.500000 0.071031 0.439849 Pd\n0.000000 0.187633 0.788482 Pd\n0.000000 0.812367 0.211518 Pd\n0.500000 0.312367 0.288482 Pd\n0.500000 0.687633 0.711518 Pd\n",
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"chemical_system": "Li-Pd-Si",
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"formula_anonymous": "A10B13C14",
"energy": -347.70259129,
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"updated_at": "2021-11-28T01:39:30.823000Z",
"spacegroup": 58
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{
"id": "mp-706664",
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -525.27551207,
"band_gap": 1.1720000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005654,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:45.875000Z",
"spacegroup": 1
}
]
}