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{
"id": "jvasp-117371",
"created_at": "2022-09-04T14:38:27.103793Z",
"updated_at": "2022-09-04T14:38:27.103826Z",
"structure_string": "Sm2 Ga2 Fe15 C2\n1.0\n6.398149 -0.012205 0.802546\n0.678717 6.362060 0.802546\n-0.004556 -0.004088 6.532044\nSm Ga Fe C\n2 2 15 2\ndirect\n0.343683 0.343682 0.323446 Sm\n0.653266 0.653265 0.671006 Sm\n0.336649 0.837685 0.337466 Ga\n0.837685 0.336648 0.337466 Ga\n0.343767 0.343767 0.854671 Fe\n0.152830 0.658537 0.667833 Fe\n0.658537 0.152830 0.667833 Fe\n0.663366 0.663365 0.131814 Fe\n0.995131 0.995130 0.510911 Fe\n0.496859 0.003079 0.999573 Fe\n0.003080 0.496859 0.999573 Fe\n0.276914 0.722636 0.993494 Fe\n0.005557 0.288671 0.710490 Fe\n0.722636 0.276913 0.993494 Fe\n0.990365 0.709150 0.285755 Fe\n0.288671 0.005557 0.710490 Fe\n0.902381 0.902380 0.906820 Fe\n0.092970 0.092970 0.091011 Fe\n0.709151 0.990364 0.285755 Fe\n0.512618 0.013884 0.510554 C\n0.013885 0.512618 0.510554 C\n",
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{
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"updated_at": "2022-09-04T14:37:44.327482Z",
"structure_string": "Yb1 Pr1 Cd2\n1.0\n0.000000 3.803816 3.803816\n3.803816 -0.000000 3.803816\n3.803816 3.803816 -0.000000\nYb Pr Cd\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250001 0.250001 0.250001 Pr\n0.000000 0.000000 0.000000 Cd\n0.500002 0.500002 0.500002 Cd\n",
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],
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"volume": 110.07495036145288,
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"formula_full": "Yb1 Pr1 Cd2",
"formula_reduced": "YbPrCd2",
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},
{
"id": "jvasp-37440",
"created_at": "2022-09-04T14:38:00.787034Z",
"updated_at": "2022-09-04T14:38:00.787064Z",
"structure_string": "Y1 Lu1 Cd2\n1.0\n0.000000 3.682103 3.682103\n3.682103 -0.000000 3.682103\n3.682103 3.682103 -0.000000\nY Lu Cd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Y\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
"nsites": 4,
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"elements": [
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],
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"volume": 99.84303967300822,
"volume_molar": 15.031720970428,
"formula_full": "Y1 Lu1 Cd2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-15323",
"created_at": "2022-09-04T14:36:36.747153Z",
"updated_at": "2022-09-04T14:36:36.747176Z",
"structure_string": "Mn1 Sb1 Pd1\n1.0\n3.759289 -0.000000 2.170426\n1.253097 3.544292 2.170426\n0.000000 0.000000 4.340853\nMn Sb Pd\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.500000 Pd\n",
"nsites": 3,
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"elements": [
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"Sb",
"Pd"
],
"chemical_system": "Mn-Pd-Sb",
"density": 8.128424211921562,
"density_atomic": 0.05186936930646717,
"volume": 57.83760319649683,
"volume_molar": 11.61020625567766,
"formula_full": "Mn1 Sb1 Pd1",
"formula_reduced": "MnSbPd",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-100450",
"created_at": "2022-09-04T14:36:41.309266Z",
"updated_at": "2022-09-04T14:36:41.309282Z",
"structure_string": "Zr2 Pb2 N4\n1.0\n4.058386 -0.000000 0.000000\n0.000000 4.058386 -0.000000\n0.000000 0.000000 8.097622\nZr Pb N\n2 2 4\ndirect\n0.750001 0.750001 0.599144 Zr\n0.250000 0.250000 0.400855 Zr\n0.750001 0.750001 0.136495 Pb\n0.250000 0.250000 0.863505 Pb\n0.750001 0.250000 0.500000 N\n0.250000 0.750001 0.500000 N\n0.750001 0.750001 0.853558 N\n0.250000 0.250000 0.146442 N\n",
"nsites": 8,
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"N"
],
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"density": 8.128582185307609,
"density_atomic": 0.05998266879477342,
"volume": 133.37185825077992,
"volume_molar": 10.039801297612053,
"formula_full": "Zr2 Pb2 N4",
"formula_reduced": "ZrPbN2",
"formula_anonymous": "ABC2",
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"spacegroup": 129
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{
"id": "jvasp-18247",
"created_at": "2022-09-04T14:37:27.154610Z",
"updated_at": "2022-09-04T14:37:27.154629Z",
"structure_string": "Zr1 Ga1 Ni2\n1.0\n3.737957 -0.000000 2.158110\n1.245986 3.524179 2.158110\n-0.000000 -0.000000 4.316220\nZr Ga Ni\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Ga\n0.750002 0.750000 0.749999 Ni\n0.250001 0.250000 0.250000 Ni\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.128664771719219,
"density_atomic": 0.07035000918043466,
"volume": 56.85855690140347,
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"formula_full": "Zr1 Ga1 Ni2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-14632",
"created_at": "2022-09-04T14:36:13.030706Z",
"updated_at": "2022-09-04T14:36:13.030733Z",
"structure_string": "Tm1 C2\n1.0\n3.202203 0.000000 -1.632977\n-0.832744 3.092029 -1.632977\n0.007411 0.009671 3.970718\nTm C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.606350 0.606350 0.212699 C\n0.393650 0.393650 0.787301 C\n",
"nsites": 3,
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"elements": [
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"C"
],
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"volume": 39.416429855408396,
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"formula_full": "Tm1 C2",
"formula_reduced": "TmC2",
"formula_anonymous": "AB2",
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"spacegroup": 139
},
{
"id": "jvasp-104885",
"created_at": "2022-09-04T14:37:02.086466Z",
"updated_at": "2022-09-04T14:37:02.086491Z",
"structure_string": "Ce2 Si2 Ru4 C2\n1.0\n5.940731 0.004331 0.000000\n-4.658418 3.686657 0.000000\n0.000000 0.000000 7.125825\nCe Si Ru C\n2 2 4 2\ndirect\n0.553070 0.446930 0.250000 Ce\n0.446930 0.553070 0.750001 Ce\n0.273313 0.726688 0.250000 Si\n0.726687 0.273313 0.750001 Si\n0.835727 0.164272 0.056408 Ru\n0.164272 0.835728 0.943592 Ru\n0.164272 0.835728 0.556409 Ru\n0.835727 0.164272 0.443592 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"Ru",
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"volume": 156.20957891503917,
"volume_molar": 9.407160722866939,
"formula_full": "Ce2 Si2 Ru4 C2",
"formula_reduced": "CeSiRu2C",
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"spacegroup": 63
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{
"id": "jvasp-15664",
"created_at": "2022-09-04T14:36:38.910528Z",
"updated_at": "2022-09-04T14:36:38.910556Z",
"structure_string": "Th1 Si2 Cu2\n1.0\n3.867239 0.000000 -1.486194\n-0.571149 3.824830 -1.486194\n-0.011282 -0.013092 5.745230\nTh Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621798 0.621798 0.243598 Si\n0.378202 0.378202 0.756403 Si\n0.750000 0.250000 0.500001 Cu\n0.250000 0.750000 0.500001 Cu\n",
"nsites": 5,
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"volume": 84.83026124531455,
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"formula_full": "Th1 Si2 Cu2",
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{
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"created_at": "2022-09-04T14:36:12.140165Z",
"updated_at": "2022-09-04T14:36:12.140188Z",
"structure_string": "Th1 Cu2 Si2\n1.0\n4.142706 0.000000 0.000000\n0.000000 4.142706 0.000000\n-2.071352 -2.071352 4.942818\nTh Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.621796 0.621796 0.243589 Si\n0.378206 0.378206 0.756411 Si\n",
"nsites": 5,
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},
{
"id": "jvasp-67251",
"created_at": "2022-09-04T14:35:46.860706Z",
"updated_at": "2022-09-04T14:35:46.860731Z",
"structure_string": "Hf1 Be1 Si1\n1.0\n-1.510832 1.510832 4.822901\n1.510832 -1.510832 4.822901\n1.510832 1.510832 -4.822901\nHf Be Si\n1 1 1\ndirect\n0.338568 0.338568 0.000000 Hf\n0.024468 0.024468 0.000000 Be\n0.636964 0.636964 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:37:05.060851Z",
"updated_at": "2022-09-04T14:37:05.060878Z",
"structure_string": "Yb1 Tl1 Se2\n1.0\n-2.121085 -3.673828 0.000000\n2.121085 -3.673828 0.000000\n-0.000000 -2.449218 7.015943\nYb Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tl\n0.257351 0.257351 0.227947 Se\n0.742650 0.742650 0.772053 Se\n",
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