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{
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"results": [
{
"id": "mp-14649",
"created_at": "2022-09-04T14:41:22.335354Z",
"structure_string": "Tb8 Ge8 O28\n1.0\n6.899345 0.000000 0.000000\n0.000000 6.899345 0.000000\n0.000000 0.000000 12.572301\nTb Ge O\n8 8 28\ndirect\n0.648402 0.123988 0.865406 Tb\n0.351598 0.876012 0.365406 Tb\n0.123988 0.648402 0.134594 Tb\n0.623988 0.851598 0.615406 Tb\n0.376012 0.148402 0.115406 Tb\n0.851598 0.623988 0.384594 Tb\n0.148402 0.376012 0.884594 Tb\n0.876012 0.351598 0.634594 Tb\n0.653088 0.598497 0.869870 Ge\n0.346912 0.401503 0.369870 Ge\n0.598497 0.653088 0.130130 Ge\n0.098497 0.846912 0.619870 Ge\n0.901503 0.153088 0.119870 Ge\n0.846912 0.098497 0.380130 Ge\n0.153088 0.901503 0.880130 Ge\n0.401503 0.346912 0.630130 Ge\n0.303518 0.303518 0.500000 O\n0.196482 0.803518 0.750000 O\n0.803518 0.196482 0.250000 O\n0.696482 0.696482 0.000000 O\n0.529924 0.578201 0.373975 O\n0.470076 0.421799 0.873975 O\n0.578201 0.529924 0.626025 O\n0.078201 0.970076 0.123975 O\n0.921799 0.029924 0.623975 O\n0.970076 0.078201 0.876025 O\n0.029924 0.921799 0.376025 O\n0.421799 0.470076 0.126025 O\n0.814238 0.642954 0.204580 O\n0.185762 0.357046 0.704580 O\n0.642954 0.814238 0.795420 O\n0.142954 0.685762 0.954580 O\n0.063897 0.338399 0.071387 O\n0.161601 0.563897 0.321387 O\n0.838399 0.436103 0.821387 O\n0.563897 0.161601 0.678613 O\n0.436103 0.838399 0.178613 O\n0.936103 0.661601 0.571387 O\n0.338399 0.063897 0.928613 O\n0.661601 0.936103 0.428613 O\n0.357046 0.185762 0.295420 O\n0.314238 0.857046 0.545420 O\n0.685762 0.142954 0.045420 O\n0.857046 0.314238 0.454580 O\n",
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"spacegroup": 92
},
{
"id": "mp-1217806",
"created_at": "2022-09-04T14:39:06.673338Z",
"structure_string": "Tb8 Gd4 Ga20 O48\n1.0\n-6.232927 6.232927 6.232188\n6.232927 -6.232927 6.232188\n6.232927 6.232927 -6.232188\nTb Gd Ga O\n8 4 20 48\ndirect\n0.000000 0.000000 0.000000 Tb\n0.250000 0.750000 0.500000 Tb\n0.750044 0.875000 0.375044 Tb\n0.499956 0.375000 0.624956 Tb\n0.625000 0.500044 0.375044 Tb\n0.125000 0.249956 0.624956 Tb\n0.750000 0.250000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000127 0.375000 0.125127 Gd\n0.249873 0.875000 0.874873 Gd\n0.125000 0.750127 0.125127 Gd\n0.625000 0.999873 0.874873 Gd\n0.749564 0.375000 0.874564 Ga\n0.500436 0.875000 0.125436 Ga\n0.125000 0.000224 0.375224 Ga\n0.625000 0.749776 0.624776 Ga\n0.250189 0.250189 0.000000 Ga\n0.999811 0.499811 0.500000 Ga\n0.999776 0.875000 0.624776 Ga\n0.250224 0.375000 0.375224 Ga\n0.625000 0.250436 0.125436 Ga\n0.125000 0.499564 0.874564 Ga\n0.500189 0.000189 0.500000 Ga\n0.749811 0.749811 0.000000 Ga\n0.375518 0.625145 0.250252 Ga\n0.875107 0.124855 0.250372 Ga\n0.874482 0.624735 0.749628 Ga\n0.374893 0.125266 0.749748 Ga\n0.874735 0.625107 0.250252 Ga\n0.375265 0.125518 0.250372 Ga\n0.875145 0.124893 0.749628 Ga\n0.374855 0.624482 0.749748 Ga\n0.253514 0.530952 0.334078 O\n0.053126 0.219048 0.222562 O\n0.996486 0.830564 0.777438 O\n0.196874 0.919436 0.665922 O\n0.079551 0.651434 0.871335 O\n0.170449 0.541784 0.071883 O\n0.780099 0.208216 0.128665 O\n0.469901 0.098566 0.928117 O\n0.793332 0.947411 0.045314 O\n0.902097 0.748018 0.954686 O\n0.347903 0.802589 0.345920 O\n0.456668 0.001982 0.654080 O\n0.498104 0.719925 0.167377 O\n0.697452 0.030075 0.278179 O\n0.751896 0.419273 0.721821 O\n0.552548 0.330727 0.832623 O\n0.669131 0.596764 0.626832 O\n0.580869 0.707701 0.427633 O\n0.969932 0.042299 0.373168 O\n0.280068 0.153236 0.572367 O\n0.957686 0.302622 0.455770 O\n0.846851 0.501916 0.544230 O\n0.403149 0.447379 0.155065 O\n0.292314 0.248084 0.844935 O\n0.669273 0.447452 0.167377 O\n0.580727 0.248104 0.278179 O\n0.969925 0.302548 0.721821 O\n0.280075 0.501896 0.832623 O\n0.957701 0.030068 0.626832 O\n0.846764 0.719932 0.427633 O\n0.403236 0.330869 0.373168 O\n0.292299 0.419131 0.572367 O\n0.498084 0.153149 0.455770 O\n0.697379 0.042314 0.544230 O\n0.751916 0.707686 0.155065 O\n0.552622 0.596851 0.844935 O\n0.080564 0.803126 0.334078 O\n0.169436 0.003514 0.222562 O\n0.780952 0.946874 0.777438 O\n0.469048 0.746486 0.665922 O\n0.791784 0.219901 0.871335 O\n0.901434 0.530099 0.071883 O\n0.348566 0.920449 0.128665 O\n0.458216 0.829551 0.928117 O\n0.251982 0.097903 0.045314 O\n0.052589 0.206668 0.954686 O\n0.998018 0.543332 0.345920 O\n0.197411 0.652097 0.654080 O\n",
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],
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"volume": 968.4665341291359,
"volume_molar": 7.29030223734375,
"formula_full": "Tb8 Gd4 Ga20 O48",
"formula_reduced": "Tb2GdGa5O12",
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"updated_at": "2021-11-28T01:34:32.420000Z",
"spacegroup": 98
},
{
"id": "mp-1207034",
"created_at": "2022-09-04T14:48:00.812828Z",
"structure_string": "Tb2 Ga1 Ni2\n1.0\n-4.198606 0.000000 0.000000\n0.000000 -5.331697 0.000000\n2.099303 2.665849 4.131230\nTb Ga Ni\n2 1 2\ndirect\n0.799283 0.299283 0.598566 Tb\n0.200717 0.700717 0.401434 Tb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.267519 0.000000 Ni\n0.500000 0.732481 0.000000 Ni\n",
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"density": 9.066852439511656,
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"volume": 92.48045481426536,
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"formula_full": "Tb2 Ga1 Ni2",
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"energy": -26.66483289,
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"updated_at": "2021-11-28T01:38:31.246000Z",
"spacegroup": 71
},
{
"id": "mp-1207140",
"created_at": "2022-09-04T14:42:02.517797Z",
"structure_string": "Tb2 Ga1 Co2\n1.0\n-4.049716 0.000000 0.000000\n-2.024858 -2.730303 4.195480\n-2.024858 2.730303 4.195480\nTb Ga Co\n2 1 2\ndirect\n0.206859 0.293141 0.293141 Tb\n0.793141 0.706859 0.706859 Tb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.286286 0.713714 Co\n0.500000 0.713714 0.286286 Co\n",
"nsites": 5,
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"updated_at": "2021-11-28T01:35:37.992000Z",
"spacegroup": 71
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{
"id": "mp-1102177",
"created_at": "2022-09-04T14:46:10.111582Z",
"structure_string": "Tb2 Ga8 Fe1\n1.0\n4.266711 0.000000 0.000000\n0.000000 4.266711 0.000000\n0.000000 0.000000 11.146879\nTb Ga Fe\n2 8 1\ndirect\n0.000000 0.000000 0.696245 Tb\n0.000000 0.000000 0.303755 Tb\n0.500000 0.000000 0.885957 Ga\n0.000000 0.500000 0.885957 Ga\n0.500000 0.000000 0.114043 Ga\n0.000000 0.500000 0.114043 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.698193 Ga\n0.500000 0.500000 0.301807 Ga\n0.000000 0.000000 0.000000 Fe\n",
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"formula_full": "Tb2 Ga8 Fe1",
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{
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"structure_string": "Tb2 Ga8 Co1\n1.0\n4.253662 0.000000 0.000000\n0.000000 4.253662 0.000000\n0.000000 0.000000 11.067516\nTb Ga Co\n2 8 1\ndirect\n0.000000 0.000000 0.695083 Tb\n0.000000 0.000000 0.304917 Tb\n0.500000 0.000000 0.884934 Ga\n0.000000 0.500000 0.884934 Ga\n0.500000 0.000000 0.115066 Ga\n0.000000 0.500000 0.115066 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.700581 Ga\n0.500000 0.500000 0.299419 Ga\n0.000000 0.000000 0.000000 Co\n",
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{
"id": "mp-1217715",
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"structure_string": "Tb2 Ga5 Cu3\n1.0\n4.137093 0.000000 0.000000\n0.000000 4.137093 0.000000\n0.000000 0.000000 10.259684\nTb Ga Cu\n2 5 3\ndirect\n0.000000 0.000000 0.992696 Tb\n0.500000 0.500000 0.507304 Tb\n0.500000 0.500000 0.110454 Ga\n0.000000 0.000000 0.628014 Ga\n0.000000 0.000000 0.389546 Ga\n0.500000 0.500000 0.871986 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.000000 0.750000 Cu\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n",
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"formula_full": "Tb2 Ga5 Cu3",
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{
"id": "mp-1208714",
"created_at": "2022-09-04T14:42:06.747132Z",
"structure_string": "Tb4 Ga18 Ru6\n1.0\n3.771311 -6.462946 0.000000\n3.771311 6.462946 0.000000\n0.000000 0.000000 9.743118\nTb Ga Ru\n4 18 6\ndirect\n0.996924 0.669824 0.250000 Tb\n0.003076 0.330176 0.750000 Tb\n0.669824 0.996924 0.250000 Tb\n0.330176 0.003076 0.750000 Tb\n0.126459 0.126459 0.250000 Ga\n0.873541 0.873541 0.750000 Ga\n0.006730 0.335534 0.076247 Ga\n0.993270 0.664466 0.923753 Ga\n0.993270 0.664466 0.576247 Ga\n0.335534 0.006730 0.423753 Ga\n0.006730 0.335534 0.423753 Ga\n0.664466 0.993270 0.576247 Ga\n0.664466 0.993270 0.923753 Ga\n0.335534 0.006730 0.076247 Ga\n0.337929 0.337929 0.559889 Ga\n0.662071 0.662071 0.440111 Ga\n0.662071 0.662071 0.059889 Ga\n0.337929 0.337929 0.940111 Ga\n0.337004 0.548434 0.250000 Ga\n0.662996 0.451566 0.750000 Ga\n0.548434 0.337004 0.250000 Ga\n0.451566 0.662996 0.750000 Ga\n0.674534 0.325466 0.000000 Ru\n0.325466 0.674534 0.000000 Ru\n0.325466 0.674534 0.500000 Ru\n0.674534 0.325466 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
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"formula_full": "Tb4 Ga18 Ru6",
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{
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"structure_string": "Tb4 Ga18 Rh6\n1.0\n3.791052 -6.552880 0.000000\n3.791052 6.552880 0.000000\n0.000000 0.000000 9.545004\nTb Ga Rh\n4 18 6\ndirect\n0.996973 0.667724 0.250000 Tb\n0.003027 0.332276 0.750000 Tb\n0.667724 0.996973 0.250000 Tb\n0.332276 0.003027 0.750000 Tb\n0.124889 0.124889 0.250000 Ga\n0.875111 0.875111 0.750000 Ga\n0.000525 0.333804 0.077191 Ga\n0.999475 0.666196 0.922809 Ga\n0.999475 0.666196 0.577191 Ga\n0.333804 0.000525 0.422809 Ga\n0.000525 0.333804 0.422809 Ga\n0.666196 0.999475 0.577191 Ga\n0.666196 0.999475 0.922809 Ga\n0.333804 0.000525 0.077191 Ga\n0.334157 0.334157 0.561408 Ga\n0.665843 0.665843 0.438592 Ga\n0.665843 0.665843 0.061408 Ga\n0.334157 0.334157 0.938592 Ga\n0.337291 0.546620 0.250000 Ga\n0.662709 0.453380 0.750000 Ga\n0.546620 0.337291 0.250000 Ga\n0.453380 0.662709 0.750000 Ga\n0.671631 0.328369 0.000000 Rh\n0.328369 0.671631 0.000000 Rh\n0.328369 0.671631 0.500000 Rh\n0.671631 0.328369 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
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{
"id": "mp-1208535",
"created_at": "2022-09-04T14:42:17.958719Z",
"structure_string": "Tb4 Ga18 Ir6\n1.0\n3.803386 -6.583409 0.000000\n3.803386 6.583409 0.000000\n0.000000 0.000000 9.516334\nTb Ga Ir\n4 18 6\ndirect\n0.997099 0.667865 0.250000 Tb\n0.002901 0.332135 0.750000 Tb\n0.667865 0.997099 0.250000 Tb\n0.332135 0.002901 0.750000 Tb\n0.127022 0.127022 0.250000 Ga\n0.872978 0.872978 0.750000 Ga\n0.999403 0.333789 0.079833 Ga\n0.000597 0.666211 0.920167 Ga\n0.000597 0.666211 0.579833 Ga\n0.333789 0.999403 0.420167 Ga\n0.999403 0.333789 0.420167 Ga\n0.666211 0.000597 0.579833 Ga\n0.666211 0.000597 0.920167 Ga\n0.333789 0.999403 0.079833 Ga\n0.332944 0.332944 0.563363 Ga\n0.667056 0.667056 0.436637 Ga\n0.667056 0.667056 0.063363 Ga\n0.332944 0.332944 0.936637 Ga\n0.338698 0.545561 0.250000 Ga\n0.661302 0.454439 0.750000 Ga\n0.545561 0.338698 0.250000 Ga\n0.454439 0.661302 0.750000 Ga\n0.671427 0.328573 0.000000 Ir\n0.328573 0.671427 0.000000 Ir\n0.328573 0.671427 0.500000 Ir\n0.671427 0.328573 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Tb",
"density": 10.606578625257752,
"density_atomic": 0.05875395671492304,
"volume": 476.56364891061406,
"volume_molar": 10.249762052996209,
"formula_full": "Tb4 Ga18 Ir6",
"formula_reduced": "Tb2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy": -145.06812276,
"energy_per_atom": -5.181004384285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.06812276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.849000Z",
"spacegroup": 63
},
{
"id": "mp-1217860",
"created_at": "2022-09-04T14:42:11.053322Z",
"structure_string": "Tb2 Ga3 Fe14 C2\n1.0\n4.320308 4.883912 0.000000\n-4.320308 4.883912 0.000000\n0.000000 1.001598 6.448980\nTb Ga Fe C\n2 3 14 2\ndirect\n0.346743 0.346743 0.339749 Tb\n0.653257 0.653257 0.660251 Tb\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.091194 0.091194 0.093083 Fe\n0.908806 0.908806 0.906917 Fe\n0.651371 0.651371 0.153188 Fe\n0.650286 0.152508 0.651107 Fe\n0.152508 0.650286 0.651107 Fe\n0.348629 0.348629 0.846812 Fe\n0.349714 0.847492 0.348893 Fe\n0.847492 0.349714 0.348893 Fe\n0.709133 0.290867 0.000000 Fe\n0.286123 0.000164 0.714772 Fe\n0.999836 0.713877 0.285228 Fe\n0.713877 0.999836 0.285228 Fe\n0.000164 0.286123 0.714772 Fe\n0.290867 0.709133 0.000000 Fe\n0.500000 0.000000 0.500000 C\n0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Tb",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ga-Tb",
"density": 8.13267999149337,
"density_atomic": 0.077164177189858,
"volume": 272.14700868682513,
"volume_molar": 7.80432187488097,
"formula_full": "Tb2 Ga3 Fe14 C2",
"formula_reduced": "Tb2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy": -158.39772439,
"energy_per_atom": -7.542748780476191,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.39772439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.1352994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.887000Z",
"spacegroup": 12
},
{
"id": "mp-1217724",
"created_at": "2022-09-04T14:39:18.211291Z",
"structure_string": "Tb2 Ga3 Fe1\n1.0\n-2.149164 -3.723972 0.000000\n-2.149164 3.723972 0.000000\n0.000000 0.000000 -7.555527\nTb Ga Fe\n2 3 1\ndirect\n0.999998 0.000002 0.482711 Tb\n0.999998 0.000002 0.017289 Tb\n0.666646 0.333354 0.750000 Ga\n0.333345 0.666655 0.250000 Ga\n0.333363 0.666637 0.750000 Ga\n0.666650 0.333350 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Tb",
"density": 8.002876772708122,
"density_atomic": 0.04961129101848625,
"volume": 120.94021092424846,
"volume_molar": 12.13864956216523,
"formula_full": "Tb2 Ga3 Fe1",
"formula_reduced": "Tb2Ga3Fe",
"formula_anonymous": "AB2C3",
"energy": -29.43365582,
"energy_per_atom": -4.905609303333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.43365582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1293827,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.770000Z",
"spacegroup": 187
}
]
}