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{
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{
"id": "mp-22573",
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"structure_string": "Tb8 Co2 B26\n1.0\n7.338448 0.000000 0.000000\n0.000000 7.338448 0.000000\n0.000000 0.000000 6.944858\nTb Co B\n8 2 26\ndirect\n0.318737 0.815566 0.000000 Tb\n0.181263 0.315566 0.500000 Tb\n0.818737 0.684434 0.500000 Tb\n0.815566 0.681263 0.000000 Tb\n0.184434 0.318737 0.000000 Tb\n0.681263 0.184434 0.000000 Tb\n0.684434 0.181263 0.500000 Tb\n0.315566 0.818737 0.500000 Tb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.539384 0.669302 0.753994 B\n0.460616 0.330698 0.753994 B\n0.169302 0.039384 0.746006 B\n0.330698 0.539384 0.753994 B\n0.669302 0.460616 0.753994 B\n0.039384 0.830698 0.746006 B\n0.960616 0.169302 0.746006 B\n0.830698 0.960616 0.746006 B\n0.460616 0.330698 0.246006 B\n0.539384 0.669302 0.246006 B\n0.000000 0.000000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.908720 0.408720 0.250000 B\n0.408720 0.091280 0.250000 B\n0.591280 0.908720 0.250000 B\n0.091280 0.591280 0.250000 B\n0.091280 0.591280 0.750000 B\n0.591280 0.908720 0.750000 B\n0.408720 0.091280 0.750000 B\n0.908720 0.408720 0.750000 B\n0.169302 0.039384 0.253994 B\n0.039384 0.830698 0.253994 B\n0.960616 0.169302 0.253994 B\n0.330698 0.539384 0.246006 B\n0.669302 0.460616 0.246006 B\n0.830698 0.960616 0.253994 B\n",
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"updated_at": "2021-11-28T01:37:50.400000Z",
"spacegroup": 128
},
{
"id": "mp-1217743",
"created_at": "2022-09-04T14:46:54.421214Z",
"structure_string": "Tb12 Co9\n1.0\n5.642704 -9.773450 0.000000\n5.642704 9.773450 0.000000\n0.000000 0.000000 4.076281\nTb Co\n12 9\ndirect\n0.620148 0.485197 0.749865 Tb\n0.514803 0.134951 0.749865 Tb\n0.865049 0.379852 0.749865 Tb\n0.379852 0.514803 0.250135 Tb\n0.485197 0.865049 0.250135 Tb\n0.134951 0.620148 0.250135 Tb\n0.778236 0.024353 0.749609 Tb\n0.975647 0.753882 0.749609 Tb\n0.246118 0.221764 0.749609 Tb\n0.221764 0.975647 0.250391 Tb\n0.024353 0.246118 0.250391 Tb\n0.753882 0.778236 0.250391 Tb\n0.333333 0.666667 0.747971 Co\n0.666667 0.333333 0.252029 Co\n0.281251 0.842967 0.747374 Co\n0.157033 0.438285 0.747374 Co\n0.561715 0.718749 0.747374 Co\n0.718749 0.157033 0.252626 Co\n0.842967 0.561715 0.252626 Co\n0.438285 0.281251 0.252626 Co\n0.000000 0.000000 0.500000 Co\n",
"nsites": 21,
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"elements": [
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"volume": 449.6030770137374,
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"formula_full": "Tb12 Co9",
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"updated_at": "2021-11-28T01:37:36.976000Z",
"spacegroup": 147
},
{
"id": "mp-1211029",
"created_at": "2022-09-04T14:43:13.963323Z",
"structure_string": "Tb8 Co20 Si2\n1.0\n0.000000 0.000000 6.237225\n-6.261089 6.261089 3.118613\n-6.261089 -6.261089 3.118613\nTb Co Si\n8 20 2\ndirect\n0.453968 0.158810 0.841190 Tb\n0.453968 0.841190 0.158810 Tb\n0.545158 0.658810 0.658810 Tb\n0.796032 0.658810 0.341190 Tb\n0.796032 0.341190 0.658810 Tb\n0.862778 0.341190 0.341190 Tb\n0.704842 0.841190 0.841190 Tb\n0.387222 0.158810 0.158810 Tb\n0.387176 0.964802 0.640464 Co\n0.992443 0.035198 0.359536 Co\n0.277640 0.859536 0.464802 Co\n0.862824 0.859536 0.535198 Co\n0.862824 0.535198 0.859536 Co\n0.601978 0.140464 0.535198 Co\n0.257557 0.140464 0.464802 Co\n0.257557 0.464802 0.140464 Co\n0.972360 0.035198 0.640464 Co\n0.972360 0.640464 0.035198 Co\n0.648022 0.964802 0.359536 Co\n0.648022 0.359536 0.964802 Co\n0.387176 0.640464 0.964802 Co\n0.992443 0.359536 0.035198 Co\n0.601978 0.535198 0.140464 Co\n0.277640 0.464802 0.859536 Co\n0.125000 0.750000 0.250000 Co\n0.125000 0.250000 0.750000 Co\n0.625000 0.250000 0.250000 Co\n0.125000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n0.250000 0.500000 0.500000 Si\n",
"nsites": 30,
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"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Si-Tb",
"density": 8.51040434964295,
"density_atomic": 0.061347955466208144,
"volume": 489.0138517578583,
"volume_molar": 9.816367496251987,
"formula_full": "Tb8 Co20 Si2",
"formula_reduced": "Tb4Co10Si",
"formula_anonymous": "AB4C10",
"energy": -176.39558954,
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"updated_at": "2021-11-28T01:36:09.974000Z",
"spacegroup": 141
},
{
"id": "mp-1208529",
"created_at": "2022-09-04T14:41:25.112453Z",
"structure_string": "Tb8 Co2\n1.0\n0.000000 5.287530 5.287530\n5.287530 0.000000 5.287530\n5.287530 5.287530 0.000000\nTb Co\n8 2\ndirect\n0.385131 0.385131 0.385131 Tb\n0.385131 0.385131 0.844606 Tb\n0.385131 0.844606 0.385131 Tb\n0.864869 0.864869 0.405394 Tb\n0.864869 0.864869 0.864869 Tb\n0.844606 0.385131 0.385131 Tb\n0.864869 0.405394 0.864869 Tb\n0.405394 0.864869 0.864869 Tb\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Co-Tb",
"density": 7.802737072988836,
"density_atomic": 0.033822949016128125,
"volume": 295.6572472504276,
"volume_molar": 17.804895596561977,
"formula_full": "Tb8 Co2",
"formula_reduced": "Tb4Co",
"formula_anonymous": "AB4",
"energy": -48.30753915,
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"updated_at": "2021-11-28T01:35:21.961000Z",
"spacegroup": 227
},
{
"id": "mp-1217639",
"created_at": "2022-09-04T14:45:17.960728Z",
"structure_string": "Tb4 Ce1 S7\n1.0\n1.911954 6.490852 0.000000\n-1.911954 6.490852 0.000000\n0.000000 2.965147 11.308558\nTb Ce S\n4 1 7\ndirect\n0.699236 0.699236 0.186303 Tb\n0.301196 0.301196 0.812699 Tb\n0.000039 0.000039 0.998353 Tb\n0.113379 0.113379 0.581263 Tb\n0.887518 0.887518 0.420378 Ce\n0.738153 0.738153 0.653497 S\n0.253770 0.253770 0.349430 S\n0.341722 0.341722 0.050435 S\n0.659395 0.659395 0.949036 S\n0.044204 0.044204 0.210151 S\n0.957571 0.957571 0.785347 S\n0.503817 0.503817 0.503109 S\n",
"nsites": 12,
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"elements": [
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"Ce",
"S"
],
"chemical_system": "Ce-S-Tb",
"density": 5.917673660623402,
"density_atomic": 0.042752830650931495,
"volume": 280.6831692146341,
"volume_molar": 14.085946283111879,
"formula_full": "Tb4 Ce1 S7",
"formula_reduced": "Tb4CeS7",
"formula_anonymous": "AB4C7",
"energy": -81.39739289,
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"updated_at": "2021-11-28T01:36:56.257000Z",
"spacegroup": 8
},
{
"id": "mp-568366",
"created_at": "2022-09-04T14:46:17.117767Z",
"structure_string": "Tb16 Cd4 Rh4\n1.0\n0.000000 6.839189 6.839189\n6.839189 0.000000 6.839189\n6.839189 6.839189 0.000000\nTb Cd Rh\n16 4 4\ndirect\n0.298050 0.900650 0.900650 Tb\n0.686079 0.313921 0.686079 Tb\n0.313921 0.686079 0.313921 Tb\n0.060462 0.439538 0.439538 Tb\n0.686079 0.313921 0.313921 Tb\n0.439538 0.060462 0.439538 Tb\n0.439538 0.060462 0.060462 Tb\n0.900650 0.900650 0.900650 Tb\n0.060462 0.439538 0.060462 Tb\n0.900650 0.298050 0.900650 Tb\n0.313921 0.686079 0.686079 Tb\n0.900650 0.900650 0.298050 Tb\n0.439538 0.439538 0.060462 Tb\n0.313921 0.313921 0.686079 Tb\n0.686079 0.686079 0.313921 Tb\n0.060462 0.060462 0.439538 Tb\n0.992220 0.669260 0.669260 Cd\n0.669260 0.992220 0.669260 Cd\n0.669260 0.669260 0.992220 Cd\n0.669260 0.669260 0.669260 Cd\n0.107609 0.107609 0.677173 Rh\n0.107609 0.677173 0.107609 Rh\n0.107609 0.107609 0.107609 Rh\n0.677173 0.107609 0.107609 Rh\n",
"nsites": 24,
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"elements": [
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"Rh"
],
"chemical_system": "Cd-Rh-Tb",
"density": 8.83494746482375,
"density_atomic": 0.037511758983279006,
"volume": 639.799376262203,
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"formula_full": "Tb16 Cd4 Rh4",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:37:32.067000Z",
"spacegroup": 216
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{
"id": "mp-1208468",
"created_at": "2022-09-04T14:46:33.881819Z",
"structure_string": "Tb16 Cd4 Pt4\n1.0\n0.000000 6.897389 6.897389\n6.897389 0.000000 6.897389\n6.897389 6.897389 0.000000\nTb Cd Pt\n16 4 4\ndirect\n0.351182 0.351182 0.351182 Tb\n0.351182 0.351182 0.946454 Tb\n0.351182 0.946454 0.351182 Tb\n0.946454 0.351182 0.351182 Tb\n0.809992 0.190008 0.190008 Tb\n0.190008 0.809992 0.809992 Tb\n0.190008 0.809992 0.190008 Tb\n0.809992 0.190008 0.809992 Tb\n0.190008 0.190008 0.809992 Tb\n0.809992 0.809992 0.190008 Tb\n0.935218 0.564782 0.564782 Tb\n0.564782 0.935218 0.935218 Tb\n0.564782 0.935218 0.564782 Tb\n0.935218 0.564782 0.935218 Tb\n0.564782 0.564782 0.935218 Tb\n0.935218 0.935218 0.564782 Tb\n0.581787 0.581787 0.581787 Cd\n0.581787 0.581787 0.254638 Cd\n0.581787 0.254638 0.581787 Cd\n0.254638 0.581787 0.581787 Cd\n0.142870 0.142870 0.142870 Pt\n0.142870 0.142870 0.571391 Pt\n0.142870 0.571391 0.142870 Pt\n0.571391 0.142870 0.142870 Pt\n",
"nsites": 24,
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],
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"volume": 656.2724239414895,
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"formula_full": "Tb16 Cd4 Pt4",
"formula_reduced": "Tb4CdPt",
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{
"id": "mp-1208476",
"created_at": "2022-09-04T14:48:17.243478Z",
"structure_string": "Tb16 Cd4 Pd4\n1.0\n0.000000 6.906578 6.906578\n6.906578 0.000000 6.906578\n6.906578 6.906578 0.000000\nTb Cd Pd\n16 4 4\ndirect\n0.353291 0.353291 0.353291 Tb\n0.353291 0.353291 0.940128 Tb\n0.353291 0.940128 0.353291 Tb\n0.940128 0.353291 0.353291 Tb\n0.810681 0.189319 0.189319 Tb\n0.189319 0.810681 0.810681 Tb\n0.189319 0.810681 0.189319 Tb\n0.810681 0.189319 0.810681 Tb\n0.189319 0.189319 0.810681 Tb\n0.810681 0.810681 0.189319 Tb\n0.933904 0.566096 0.566096 Tb\n0.566096 0.933904 0.933904 Tb\n0.566096 0.933904 0.566096 Tb\n0.933904 0.566096 0.933904 Tb\n0.566096 0.566096 0.933904 Tb\n0.933904 0.933904 0.566096 Tb\n0.582027 0.582027 0.582027 Cd\n0.582027 0.582027 0.253918 Cd\n0.582027 0.253918 0.582027 Cd\n0.253918 0.582027 0.582027 Cd\n0.144106 0.144106 0.144106 Pd\n0.144106 0.144106 0.567682 Pd\n0.144106 0.567682 0.144106 Pd\n0.567682 0.144106 0.144106 Pd\n",
"nsites": 24,
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"Pd"
],
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"density": 8.614277623653036,
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"volume": 658.8988634307387,
"volume_molar": 16.533257092433022,
"formula_full": "Tb16 Cd4 Pd4",
"formula_reduced": "Tb4CdPd",
"formula_anonymous": "ABC4",
"energy": -109.17545584,
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"updated_at": "2021-11-28T01:38:41.180000Z",
"spacegroup": 216
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{
"id": "mp-1208455",
"created_at": "2022-09-04T14:39:31.224033Z",
"structure_string": "Tb16 Cd4 Ni4\n1.0\n0.000000 6.785143 6.785143\n6.785143 0.000000 6.785143\n6.785143 6.785143 0.000000\nTb Cd Ni\n16 4 4\ndirect\n0.348416 0.348416 0.348416 Tb\n0.348416 0.348416 0.954752 Tb\n0.348416 0.954752 0.348416 Tb\n0.954752 0.348416 0.348416 Tb\n0.811541 0.188459 0.188459 Tb\n0.188459 0.811541 0.811541 Tb\n0.188459 0.811541 0.188459 Tb\n0.811541 0.188459 0.811541 Tb\n0.188459 0.188459 0.811541 Tb\n0.811541 0.811541 0.188459 Tb\n0.936236 0.563764 0.563764 Tb\n0.563764 0.936236 0.936236 Tb\n0.563764 0.936236 0.563764 Tb\n0.936236 0.563764 0.936236 Tb\n0.563764 0.563764 0.936236 Tb\n0.936236 0.936236 0.563764 Tb\n0.581437 0.581437 0.581437 Cd\n0.581437 0.581437 0.255688 Cd\n0.581437 0.255688 0.581437 Cd\n0.255688 0.581437 0.581437 Cd\n0.142311 0.142311 0.142311 Ni\n0.142311 0.142311 0.573067 Ni\n0.142311 0.573067 0.142311 Ni\n0.573067 0.142311 0.142311 Ni\n",
"nsites": 24,
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"elements": [
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"volume": 624.7510731635346,
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"spacegroup": 216
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{
"id": "mp-1208463",
"created_at": "2022-09-04T14:44:04.589039Z",
"structure_string": "Tb16 Cd4 Ir4\n1.0\n0.000000 6.855015 6.855015\n6.855015 0.000000 6.855015\n6.855015 6.855015 0.000000\nTb Cd Ir\n16 4 4\ndirect\n0.598948 0.598948 0.598948 Tb\n0.598948 0.598948 0.203157 Tb\n0.598948 0.203157 0.598948 Tb\n0.203157 0.598948 0.598948 Tb\n0.060816 0.439184 0.439184 Tb\n0.439184 0.060816 0.060816 Tb\n0.439184 0.060816 0.439184 Tb\n0.060816 0.439184 0.060816 Tb\n0.439184 0.439184 0.060816 Tb\n0.060816 0.060816 0.439184 Tb\n0.187228 0.812772 0.812772 Tb\n0.812772 0.187228 0.187228 Tb\n0.812772 0.187228 0.812772 Tb\n0.187228 0.812772 0.187228 Tb\n0.812772 0.812772 0.187228 Tb\n0.187228 0.187228 0.812772 Tb\n0.831203 0.831203 0.831203 Cd\n0.831203 0.831203 0.506392 Cd\n0.831203 0.506392 0.831203 Cd\n0.506392 0.831203 0.831203 Cd\n0.391933 0.391933 0.391933 Ir\n0.391933 0.391933 0.824201 Ir\n0.391933 0.824201 0.391933 Ir\n0.824201 0.391933 0.391933 Ir\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Tb",
"density": 9.694688953105098,
"density_atomic": 0.03725255098066175,
"volume": 644.2511819515042,
"volume_molar": 16.16571376045138,
"formula_full": "Tb16 Cd4 Ir4",
"formula_reduced": "Tb4CdIr",
"formula_anonymous": "ABC4",
"energy": -125.6378771,
"energy_per_atom": -5.2349115458333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.6378771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.457000Z",
"spacegroup": 216
},
{
"id": "mp-570592",
"created_at": "2022-09-04T14:42:26.777192Z",
"structure_string": "Tb16 Cd4 Co4\n1.0\n0.000000 6.744512 6.744512\n6.744512 0.000000 6.744512\n6.744512 6.744512 0.000000\nTb Cd Co\n16 4 4\ndirect\n0.438542 0.438542 0.061458 Tb\n0.596489 0.596489 0.596489 Tb\n0.188302 0.811698 0.811698 Tb\n0.061458 0.061458 0.438542 Tb\n0.438542 0.061458 0.061458 Tb\n0.811698 0.188302 0.811698 Tb\n0.438542 0.061458 0.438542 Tb\n0.596489 0.210533 0.596489 Tb\n0.811698 0.811698 0.188302 Tb\n0.210533 0.596489 0.596489 Tb\n0.811698 0.188302 0.188302 Tb\n0.061458 0.438542 0.438542 Tb\n0.188302 0.811698 0.188302 Tb\n0.596489 0.596489 0.210533 Tb\n0.188302 0.188302 0.811698 Tb\n0.061458 0.438542 0.061458 Tb\n0.830328 0.830328 0.509015 Cd\n0.830328 0.830328 0.830328 Cd\n0.509015 0.830328 0.830328 Cd\n0.830328 0.509015 0.830328 Cd\n0.391035 0.391035 0.391035 Co\n0.826896 0.391035 0.391035 Co\n0.391035 0.826896 0.391035 Co\n0.391035 0.391035 0.826896 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Co"
],
"chemical_system": "Cd-Co-Tb",
"density": 8.73626037790525,
"density_atomic": 0.039113767590742456,
"volume": 613.5946874542553,
"volume_molar": 15.396473239323882,
"formula_full": "Tb16 Cd4 Co4",
"formula_reduced": "Tb4CdCo",
"formula_anonymous": "ABC4",
"energy": -112.09714725,
"energy_per_atom": -4.67071446875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -112.09714725,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.181000Z",
"spacegroup": 216
},
{
"id": "mp-15237",
"created_at": "2022-09-04T14:47:03.333531Z",
"structure_string": "Tb8 C10\n1.0\n3.695362 0.000000 0.000000\n0.000000 6.628815 0.000000\n0.000000 0.000000 12.051880\nTb C\n8 10\ndirect\n0.000000 0.255728 0.542052 Tb\n0.000000 0.744272 0.457948 Tb\n0.000000 0.755728 0.957948 Tb\n0.000000 0.244272 0.042052 Tb\n0.500000 0.106026 0.803317 Tb\n0.500000 0.893974 0.196683 Tb\n0.500000 0.606026 0.696683 Tb\n0.500000 0.393974 0.303317 Tb\n0.500000 0.500000 0.500000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.359248 0.735230 C\n0.000000 0.640752 0.264770 C\n0.000000 0.859248 0.764770 C\n0.000000 0.140752 0.235230 C\n0.000000 0.401803 0.843184 C\n0.000000 0.598197 0.156816 C\n0.000000 0.098197 0.343184 C\n0.000000 0.901803 0.656816 C\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 7.826862074276554,
"density_atomic": 0.060971210728115434,
"volume": 295.22129846274686,
"volume_molar": 9.877023414959075,
"formula_full": "Tb8 C10",
"formula_reduced": "Tb4C5",
"formula_anonymous": "A4B5",
"energy": -134.91086743,
"energy_per_atom": -7.495048190555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.91086743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:50.941000Z",
"spacegroup": 55
}
]
}