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{
"id": "jvasp-94125",
"created_at": "2022-09-04T14:36:00.870609Z",
"updated_at": "2022-09-04T14:36:00.870640Z",
"structure_string": "Li1 Mg6 Co1\n1.0\n6.807990 -1.824753 0.000000\n-4.985454 8.628629 0.000000\n0.000000 0.000000 3.228758\nLi Mg Co\n1 6 1\ndirect\n0.249918 0.874958 0.250000 Li\n0.750077 0.375042 0.250000 Mg\n0.750078 0.875036 0.250000 Mg\n0.250024 0.160855 0.750001 Mg\n0.250075 0.589195 0.750001 Mg\n0.821610 0.160791 0.750001 Mg\n0.678296 0.589162 0.750001 Mg\n0.249929 0.374964 0.250000 Co\n",
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{
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"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
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{
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"created_at": "2022-09-04T14:35:46.154093Z",
"updated_at": "2022-09-04T14:35:46.154118Z",
"structure_string": "Be1 Zn2 Cd1\n1.0\n3.382378 -0.000000 0.000000\n0.000000 3.382378 -0.000000\n-0.000000 -0.000000 5.410219\nBe Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.477329 Be\n0.000000 0.000000 0.028706 Zn\n0.500000 0.500000 0.255595 Zn\n0.500000 0.500000 0.738370 Cd\n",
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"volume": 61.89550732304718,
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{
"id": "jvasp-49844",
"created_at": "2022-09-04T14:35:56.058753Z",
"updated_at": "2022-09-04T14:35:56.058774Z",
"structure_string": "Nd1 O1\n1.0\n-0.000002 2.520726 2.520727\n2.520727 -0.000002 2.520726\n2.520728 2.520727 -0.000003\nNd O\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.500001 O\n",
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"elements": [
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"density": 8.306458046489348,
"density_atomic": 0.062434126998740964,
"volume": 32.03376256130452,
"volume_molar": 9.645591360829698,
"formula_full": "Nd1 O1",
"formula_reduced": "NdO",
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"spacegroup": 225
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{
"id": "jvasp-93892",
"created_at": "2022-09-04T14:36:02.890369Z",
"updated_at": "2022-09-04T14:36:02.890396Z",
"structure_string": "Nd1 Cu4 Ag1\n1.0\n-3.631585 -3.631585 -0.000000\n-3.631585 -0.000000 -3.631585\n0.000000 -3.631585 -3.631585\nNd Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.869670 0.376778 0.376778 Cu\n0.376778 0.869670 0.376778 Cu\n0.376778 0.376778 0.869670 Cu\n0.376778 0.376778 0.376778 Cu\n0.750001 0.750001 0.750001 Ag\n",
"nsites": 6,
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"volume": 95.78966104322424,
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"formula_full": "Nd1 Cu4 Ag1",
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{
"id": "jvasp-106136",
"created_at": "2022-09-04T14:35:56.116566Z",
"updated_at": "2022-09-04T14:35:56.116591Z",
"structure_string": "Ba3 Sr1 Ag4\n1.0\n4.951587 0.000000 0.000000\n0.000000 6.529558 0.085964\n0.000000 0.004218 8.519610\nBa Sr Ag\n3 1 4\ndirect\n0.500000 0.367469 0.182619 Ba\n0.000000 0.867043 0.321440 Ba\n0.000000 0.634203 0.817686 Ba\n0.500000 0.134442 0.681177 Sr\n0.500000 0.621329 0.541064 Ag\n0.500000 0.883775 0.028991 Ag\n0.000000 0.365888 0.473117 Ag\n0.000000 0.125852 0.953902 Ag\n",
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{
"id": "jvasp-88650",
"created_at": "2022-09-04T14:35:47.240450Z",
"updated_at": "2022-09-04T14:35:47.240481Z",
"structure_string": "Hg12 Cl16 O4\n1.0\n9.316908 -0.000000 -0.000000\n0.000000 9.316908 -0.000000\n0.000000 -0.000000 9.316908\nHg Cl O\n12 16 4\ndirect\n0.229864 0.176338 0.515717 Hg\n0.176338 0.515717 0.229864 Hg\n0.323662 0.484283 0.729864 Hg\n0.015717 0.270136 0.823662 Hg\n0.823662 0.015717 0.270136 Hg\n0.984283 0.770136 0.676338 Hg\n0.484283 0.729864 0.323662 Hg\n0.676338 0.984283 0.770136 Hg\n0.729864 0.323662 0.484283 Hg\n0.770136 0.676338 0.984283 Hg\n0.270136 0.823662 0.015717 Hg\n0.515717 0.229864 0.176338 Hg\n0.479028 0.666968 0.804032 Cl\n0.020972 0.333032 0.304032 Cl\n0.333032 0.304032 0.020972 Cl\n0.304032 0.020972 0.333032 Cl\n0.927755 0.072245 0.572245 Cl\n0.427755 0.427755 0.427755 Cl\n0.572245 0.927755 0.072245 Cl\n0.833032 0.195968 0.979029 Cl\n0.979029 0.833032 0.195968 Cl\n0.166968 0.695969 0.520972 Cl\n0.666968 0.804032 0.479028 Cl\n0.520972 0.166968 0.695969 Cl\n0.804032 0.479028 0.666968 Cl\n0.695969 0.520972 0.166968 Cl\n0.195968 0.979029 0.833032 Cl\n0.072245 0.572245 0.927755 Cl\n0.674257 0.174257 0.325743 O\n0.325743 0.674257 0.174257 O\n0.174257 0.325743 0.674257 O\n0.825744 0.825744 0.825744 O\n",
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"density": 6.238324893351833,
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"volume": 808.7520996586125,
"volume_molar": 15.220059325280351,
"formula_full": "Hg12 Cl16 O4",
"formula_reduced": "Hg3Cl4O",
"formula_anonymous": "AB3C4",
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"spacegroup": 198
},
{
"id": "jvasp-50818",
"created_at": "2022-09-04T14:35:56.138565Z",
"updated_at": "2022-09-04T14:35:56.138587Z",
"structure_string": "Ba4 Y2 F14\n1.0\n6.873505 3.386312 -0.038424\n-6.873505 3.386312 0.038424\n-4.723861 0.000000 6.648100\nBa Y F\n4 2 14\ndirect\n0.315357 0.671537 0.744208 Ba\n0.328462 0.684642 0.244208 Ba\n0.671537 0.315357 0.755792 Ba\n0.684642 0.328462 0.255792 Ba\n0.986179 0.986179 0.750000 Y\n0.013820 0.013820 0.250000 Y\n0.943104 0.779317 0.074252 F\n0.884322 0.632611 0.455172 F\n0.365014 0.365014 0.250000 F\n0.220682 0.056895 0.574252 F\n0.632611 0.884322 0.044828 F\n0.367389 0.115678 0.955172 F\n0.115678 0.367388 0.544828 F\n0.634986 0.634986 0.750000 F\n0.696983 0.069587 0.637928 F\n0.056895 0.220682 0.925748 F\n0.303017 0.930413 0.362072 F\n0.069587 0.696983 0.862072 F\n0.779317 0.943104 0.425748 F\n0.930413 0.303017 0.137928 F\n",
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"elements": [
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{
"id": "jvasp-91899",
"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
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"formula_full": "Mg7 Nb1",
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{
"id": "jvasp-92195",
"created_at": "2022-09-04T14:35:50.202244Z",
"updated_at": "2022-09-04T14:35:50.202259Z",
"structure_string": "Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n",
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},
{
"id": "jvasp-69091",
"created_at": "2022-09-04T14:36:01.702753Z",
"updated_at": "2022-09-04T14:36:01.702774Z",
"structure_string": "Ba2 Cd1 Bi1\n1.0\n-0.000000 4.260169 4.260169\n4.260169 0.000000 4.260169\n4.260169 4.260169 0.000000\nBa Cd Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n",
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{
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"updated_at": "2022-09-04T14:35:56.196165Z",
"structure_string": "Er2 Cd6\n1.0\n4.835567 0.000000 0.000000\n0.000000 5.932612 -2.540654\n-0.000000 -0.042782 6.453602\nEr Cd\n2 6\ndirect\n0.250000 0.635081 0.364919 Er\n0.750001 0.364919 0.635081 Er\n0.750001 0.875959 0.686888 Cd\n0.250000 0.124041 0.313113 Cd\n0.750001 0.823393 0.176607 Cd\n0.250000 0.176607 0.823393 Cd\n0.750001 0.313113 0.124041 Cd\n0.250000 0.686887 0.875959 Cd\n",
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