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{
"id": "mp-1201592",
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"structure_string": "Tb2 Cd40 Ni4\n1.0\n0.000000 7.879344 7.879344\n7.879344 0.000000 7.879344\n7.879344 7.879344 0.000000\nTb Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Tb\n0.750000 0.750000 0.750000 Tb\n0.568624 0.301371 0.301371 Cd\n0.301371 0.568624 0.828634 Cd\n0.301371 0.828634 0.568624 Cd\n0.828634 0.301371 0.301371 Cd\n0.301371 0.301371 0.568624 Cd\n0.568624 0.828634 0.301371 Cd\n0.828634 0.568624 0.301371 Cd\n0.301371 0.301371 0.828634 Cd\n0.301371 0.568624 0.301371 Cd\n0.828634 0.301371 0.568624 Cd\n0.568624 0.301371 0.828634 Cd\n0.301371 0.828634 0.301371 Cd\n0.681376 0.948629 0.948629 Cd\n0.948629 0.681376 0.421366 Cd\n0.948629 0.421366 0.681376 Cd\n0.421366 0.948629 0.948629 Cd\n0.948629 0.948629 0.681376 Cd\n0.681376 0.421366 0.948629 Cd\n0.421366 0.681376 0.948629 Cd\n0.948629 0.948629 0.421366 Cd\n0.948629 0.681376 0.948629 Cd\n0.421366 0.948629 0.681376 Cd\n0.681376 0.948629 0.421366 Cd\n0.948629 0.421366 0.948629 Cd\n0.861654 0.861654 0.138346 Cd\n0.138346 0.138346 0.861654 Cd\n0.861654 0.138346 0.861654 Cd\n0.138346 0.861654 0.138346 Cd\n0.138346 0.861654 0.861654 Cd\n0.861654 0.138346 0.138346 Cd\n0.388346 0.388346 0.111654 Cd\n0.111654 0.111654 0.388346 Cd\n0.388346 0.111654 0.388346 Cd\n0.111654 0.388346 0.111654 Cd\n0.111654 0.388346 0.388346 Cd\n0.388346 0.111654 0.111654 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n",
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{
"id": "mp-22690",
"created_at": "2022-09-04T14:44:15.670052Z",
"structure_string": "Tb2 Cd2 F12\n1.0\n5.380539 0.000000 0.000000\n0.000000 5.380539 0.000000\n0.000000 0.000000 7.887370\nTb Cd F\n2 2 12\ndirect\n0.500000 0.500000 0.750000 Tb\n0.500000 0.500000 0.250000 Tb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.653403 0.303294 0.500000 F\n0.696706 0.653403 0.000000 F\n0.303294 0.346597 0.000000 F\n0.346597 0.696706 0.500000 F\n0.187708 0.252365 0.326023 F\n0.747635 0.187708 0.826023 F\n0.252365 0.812292 0.826023 F\n0.812292 0.747635 0.326023 F\n0.812292 0.747635 0.673977 F\n0.252365 0.812292 0.173977 F\n0.747635 0.187708 0.173977 F\n0.187708 0.252365 0.673977 F\n",
"nsites": 16,
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"elements": [
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"density": 5.604340229780922,
"density_atomic": 0.07007065885903631,
"volume": 228.34093842599341,
"volume_molar": 8.594382952948907,
"formula_full": "Tb2 Cd2 F12",
"formula_reduced": "TbCdF6",
"formula_anonymous": "ABC6",
"energy": -83.86979891,
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"updated_at": "2021-11-28T01:36:28.983000Z",
"spacegroup": 84
},
{
"id": "mp-1206788",
"created_at": "2022-09-04T14:41:33.380992Z",
"structure_string": "Tb2 Cd1 Ni2\n1.0\n1.932398 -7.097199 0.000000\n1.932398 7.097199 0.000000\n0.000000 0.000000 3.690407\nTb Cd Ni\n2 1 2\ndirect\n0.637514 0.362486 0.500000 Tb\n0.362486 0.637514 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n0.798716 0.201284 0.000000 Ni\n0.201284 0.798716 0.000000 Ni\n",
"nsites": 5,
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"density": 8.983864166606029,
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"volume": 101.22500876573747,
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"formula_full": "Tb2 Cd1 Ni2",
"formula_reduced": "Tb2CdNi2",
"formula_anonymous": "AB2C2",
"energy": -23.897983409999995,
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"spacegroup": 65
},
{
"id": "mp-1025023",
"created_at": "2022-09-04T14:39:28.747277Z",
"structure_string": "Tb2 C2 Br2\n1.0\n1.906664 3.538814 0.000000\n-1.906664 3.538814 0.000000\n0.000000 1.772376 10.415280\nTb C Br\n2 2 2\ndirect\n0.593299 0.593299 0.139894 Tb\n0.406701 0.406701 0.860106 Tb\n0.912389 0.912389 0.035021 C\n0.087611 0.087611 0.964979 C\n0.794943 0.794943 0.678921 Br\n0.205057 0.205057 0.321079 Br\n",
"nsites": 6,
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],
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"density": 5.927111850837567,
"density_atomic": 0.04268923787689764,
"volume": 140.55064691719528,
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"formula_full": "Tb2 C2 Br2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:34:35.750000Z",
"spacegroup": 12
},
{
"id": "mp-692",
"created_at": "2022-09-04T14:43:57.311657Z",
"structure_string": "Tb2 C1\n1.0\n6.304231 -1.805113 0.000000\n6.304231 1.805113 0.000000\n5.787366 0.000000 3.083529\nTb C\n2 1\ndirect\n0.739493 0.739493 0.739493 Tb\n0.260507 0.260507 0.260507 Tb\n0.000000 0.000000 0.000000 C\n",
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"density": 7.804876767714293,
"density_atomic": 0.042747105171328514,
"volume": 70.18019086850752,
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"formula_full": "Tb2 C1",
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"formula_anonymous": "AB2",
"energy": -19.25186202,
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"updated_at": "2021-11-28T01:36:24.527000Z",
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},
{
"id": "mp-863746",
"created_at": "2022-09-04T14:45:42.375527Z",
"structure_string": "Tb2 Br6\n1.0\n5.147088 -8.915018 0.000000\n5.147088 8.915018 0.000000\n0.000000 0.000000 3.774791\nTb Br\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.213701 0.427401 0.250000 Br\n0.572599 0.786299 0.250000 Br\n0.213701 0.786299 0.250000 Br\n0.786299 0.572599 0.750000 Br\n0.427401 0.213701 0.750000 Br\n0.786299 0.213701 0.750000 Br\n",
"nsites": 8,
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"volume": 346.42300485751315,
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"formula_full": "Tb2 Br6",
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"updated_at": "2021-11-28T01:37:15.830000Z",
"spacegroup": 194
},
{
"id": "mp-1207259",
"created_at": "2022-09-04T14:48:19.321597Z",
"structure_string": "Tb2 Br2 O1\n1.0\n4.140125 0.000000 0.000000\n0.000000 4.140125 0.000000\n0.000000 0.000000 13.334290\nTb Br O\n2 2 1\ndirect\n0.500000 0.500000 0.155578 Tb\n0.500000 0.500000 0.844422 Tb\n0.500000 0.500000 0.646900 Br\n0.500000 0.500000 0.353100 Br\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"volume": 228.55819808249828,
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"formula_full": "Tb2 Br2 O1",
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"formula_anonymous": "AB2C2",
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{
"id": "mp-27924",
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"structure_string": "Tb2 Br2\n1.0\n10.833874 -1.919025 0.000000\n10.833874 1.919025 0.000000\n10.493953 0.000000 3.306421\nTb Br\n2 2\ndirect\n0.876540 0.876540 0.876540 Tb\n0.123460 0.123460 0.123460 Tb\n0.602663 0.602663 0.602663 Br\n0.397337 0.397337 0.397337 Br\n",
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{
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"structure_string": "Tb2 Bi6\n1.0\n3.419525 -5.922792 0.000000\n3.419525 5.922792 0.000000\n0.000000 0.000000 6.066328\nTb Bi\n2 6\ndirect\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.172007 0.344014 0.250000 Bi\n0.655986 0.827993 0.250000 Bi\n0.172007 0.827993 0.250000 Bi\n0.827993 0.655986 0.750000 Bi\n0.344014 0.172007 0.750000 Bi\n0.827993 0.172007 0.750000 Bi\n",
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{
"id": "mp-1068954",
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{
"id": "mp-978920",
"created_at": "2022-09-04T14:40:33.572745Z",
"structure_string": "Tb2 Be2 O5\n1.0\n3.615467 0.000000 0.000000\n0.000000 3.615467 0.000000\n0.000000 0.000000 6.799444\nTb Be O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.267685 Be\n0.500000 0.500000 0.732315 Be\n0.500000 0.000000 0.221616 O\n0.500000 0.000000 0.778384 O\n0.000000 0.500000 0.221616 O\n0.000000 0.500000 0.778384 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "mp-12615",
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"structure_string": "Tb2 Be26\n1.0\n0.000000 5.096499 5.096499\n5.096499 0.000000 5.096499\n5.096499 5.096499 0.000000\nTb Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.209866 0.790134 0.562755 Be\n0.062755 0.290134 0.709866 Be\n0.709866 0.937245 0.062755 Be\n0.062755 0.937245 0.290134 Be\n0.937245 0.062755 0.709866 Be\n0.937245 0.290134 0.062755 Be\n0.709866 0.062755 0.290134 Be\n0.562755 0.790134 0.437245 Be\n0.437245 0.790134 0.209866 Be\n0.790134 0.437245 0.562755 Be\n0.437245 0.209866 0.562755 Be\n0.790134 0.562755 0.209866 Be\n0.562755 0.209866 0.790134 Be\n0.209866 0.437245 0.790134 Be\n0.209866 0.562755 0.437245 Be\n0.709866 0.290134 0.937245 Be\n0.290134 0.062755 0.937245 Be\n0.290134 0.937245 0.709866 Be\n0.062755 0.709866 0.937245 Be\n0.937245 0.709866 0.290134 Be\n0.290134 0.709866 0.062755 Be\n0.562755 0.437245 0.209866 Be\n0.790134 0.209866 0.437245 Be\n0.437245 0.562755 0.790134 Be\n",
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]
}