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{
"id": "jvasp-65530",
"created_at": "2022-09-04T14:35:42.318327Z",
"updated_at": "2022-09-04T14:35:42.318358Z",
"structure_string": "K1 Ba1 Cd2\n1.0\n4.202187 -0.000000 0.000000\n0.000000 4.202187 -0.000000\n-0.000000 -0.000000 8.555293\nK Ba Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.736642 Cd\n0.000000 0.000000 0.263358 Cd\n",
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{
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"updated_at": "2022-09-04T14:35:42.714073Z",
"structure_string": "Te4 F16\n1.0\n5.297738 0.000000 0.000000\n0.000000 6.059494 0.000000\n0.000000 0.000000 9.534491\nTe F\n4 16\ndirect\n0.153569 0.996074 0.619220 Te\n0.346431 0.003926 0.119220 Te\n0.653569 0.503925 0.380780 Te\n0.846432 0.496074 0.880780 Te\n0.789583 0.781096 0.447771 F\n0.588676 0.202047 0.250476 F\n0.289582 0.718903 0.552228 F\n0.945603 0.358536 0.462937 F\n0.866680 0.547703 0.224420 F\n0.088676 0.297953 0.749524 F\n0.445603 0.141464 0.537063 F\n0.366680 0.952296 0.775579 F\n0.911324 0.797953 0.750476 F\n0.133320 0.047703 0.275579 F\n0.411324 0.702046 0.249524 F\n0.554397 0.641463 0.962937 F\n0.054397 0.858536 0.037063 F\n0.710418 0.218903 0.947771 F\n0.633321 0.452296 0.724420 F\n0.210418 0.281096 0.052228 F\n",
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{
"id": "jvasp-99479",
"created_at": "2022-09-04T14:36:13.939960Z",
"updated_at": "2022-09-04T14:36:13.939981Z",
"structure_string": "K2 Cu1 Sb1 Cl6\n1.0\n6.274799 -0.000000 3.622757\n2.091600 5.915937 3.622757\n-0.000000 -0.000000 7.245513\nK Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740962 0.259038 0.259038 Cl\n0.259038 0.259038 0.740962 Cl\n0.259038 0.740962 0.740962 Cl\n0.259038 0.740962 0.259038 Cl\n0.740962 0.259038 0.740962 Cl\n0.740962 0.740962 0.259039 Cl\n",
"nsites": 10,
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"elements": [
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"Sb",
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"density": 2.940118103386089,
"density_atomic": 0.03717983866244763,
"volume": 268.9629745515867,
"volume_molar": 16.19732891977953,
"formula_full": "K2 Cu1 Sb1 Cl6",
"formula_reduced": "K2CuSbCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-91956",
"created_at": "2022-09-04T14:36:03.047685Z",
"updated_at": "2022-09-04T14:36:03.047715Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n7.293474 0.688733 0.000000\n-3.050277 5.283234 0.000000\n0.000000 0.000000 4.911785\nSr Mg Fe\n1 6 1\ndirect\n0.100231 0.800115 0.250000 Sr\n0.618967 0.302392 0.250000 Mg\n0.618966 0.816573 0.250000 Mg\n0.347297 0.184213 0.749999 Mg\n0.347297 0.663085 0.749999 Mg\n0.927182 0.213591 0.749999 Mg\n0.758571 0.629286 0.749999 Mg\n0.281481 0.390740 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Fe-Mg-Sr",
"density": 2.406919514231965,
"density_atomic": 0.040083121015447386,
"volume": 199.58525676972434,
"volume_molar": 15.024131373600285,
"formula_full": "Sr1 Mg6 Fe1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-92871",
"created_at": "2022-09-04T14:35:41.846052Z",
"updated_at": "2022-09-04T14:35:41.846079Z",
"structure_string": "Mg6 Nb1 Cd1\n1.0\n6.299423 0.040427 0.000000\n-3.114701 5.394820 0.000000\n0.000000 0.000000 4.911869\nMg Nb Cd\n6 1 1\ndirect\n0.661132 0.328275 0.250000 Mg\n0.661132 0.832857 0.250000 Mg\n0.330050 0.176847 0.750000 Mg\n0.330050 0.653205 0.750000 Mg\n0.848333 0.174168 0.750000 Mg\n0.842905 0.671454 0.750000 Mg\n0.158856 0.329427 0.250000 Nb\n0.167542 0.833771 0.250000 Cd\n",
"nsites": 8,
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"density": 3.480229267851062,
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"volume": 167.54469253236257,
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"formula_full": "Mg6 Nb1 Cd1",
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"spacegroup": 38
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{
"id": "jvasp-64580",
"created_at": "2022-09-04T14:35:41.256367Z",
"updated_at": "2022-09-04T14:35:41.256391Z",
"structure_string": "Ba4 Zn1 Cu1\n1.0\n-0.000000 5.017720 5.017720\n5.017720 0.000000 5.017720\n5.017720 5.017720 -0.000000\nBa Zn Cu\n4 1 1\ndirect\n0.125240 0.624920 0.624920 Ba\n0.624920 0.624920 0.624920 Ba\n0.624920 0.125240 0.624920 Ba\n0.624920 0.624920 0.125240 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Cu\n",
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],
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"volume": 252.66743108010326,
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"spacegroup": 216
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{
"id": "jvasp-22726",
"created_at": "2022-09-04T14:36:03.043389Z",
"updated_at": "2022-09-04T14:36:03.043413Z",
"structure_string": "Na2 Tl1 Sb1\n1.0\n0.000000 3.781886 3.781886\n3.781886 0.000000 3.781886\n3.781886 3.781886 0.000000\nNa Tl Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500002 0.500002 0.500002 Na\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 4,
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],
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"density": 5.711893831572857,
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"volume": 108.18207222048628,
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"formula_full": "Na2 Tl1 Sb1",
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"spacegroup": 225
},
{
"id": "jvasp-93181",
"created_at": "2022-09-04T14:35:46.113812Z",
"updated_at": "2022-09-04T14:35:46.113836Z",
"structure_string": "K1 Mg6 Cd1\n1.0\n7.438354 -0.602426 0.000000\n-4.240894 6.140590 0.000000\n0.000000 0.000000 5.007753\nK Mg Cd\n1 6 1\ndirect\n0.204405 0.295595 0.250000 K\n0.167085 0.810400 0.250000 Mg\n0.689600 0.332915 0.250000 Mg\n0.633541 0.866458 0.250000 Mg\n0.311207 0.682281 0.750000 Mg\n0.817718 0.188793 0.750000 Mg\n0.799651 0.700348 0.750000 Mg\n0.376791 0.123209 0.750000 Cd\n",
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"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
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"formula_full": "K1 Mg6 Cd1",
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"formula_anonymous": "ABC6",
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},
{
"id": "jvasp-67866",
"created_at": "2022-09-04T14:36:02.785743Z",
"updated_at": "2022-09-04T14:36:02.785767Z",
"structure_string": "Be1 Zn2 In1\n1.0\n2.894226 0.000000 0.000000\n0.000000 2.894226 0.000000\n0.000000 0.000000 7.915158\nBe Zn In\n1 2 1\ndirect\n0.000000 0.000000 0.454607 Be\n0.000000 0.000000 0.039731 Zn\n0.500001 0.500001 0.283221 Zn\n0.500001 0.500001 0.722439 In\n",
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},
{
"id": "jvasp-94233",
"created_at": "2022-09-04T14:35:57.343812Z",
"updated_at": "2022-09-04T14:35:57.343828Z",
"structure_string": "Mg6 Cd1 Fe1\n1.0\n6.150779 0.023472 0.000000\n-3.055062 5.338466 0.000000\n0.000000 0.000000 4.883823\nMg Cd Fe\n6 1 1\ndirect\n0.166146 0.836395 0.250000 Mg\n0.663606 0.333854 0.250000 Mg\n0.665213 0.834788 0.250000 Mg\n0.328876 0.645832 0.749999 Mg\n0.854169 0.171124 0.749999 Mg\n0.834910 0.665091 0.749999 Mg\n0.330381 0.169619 0.749999 Cd\n0.156701 0.343300 0.250000 Fe\n",
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},
{
"id": "jvasp-19873",
"created_at": "2022-09-04T14:35:47.584073Z",
"updated_at": "2022-09-04T14:35:47.584103Z",
"structure_string": "Ba2 Sn2\n1.0\n4.705200 0.000000 0.000000\n0.000000 4.908254 -2.087532\n0.000000 0.020312 6.861727\nBa Sn\n2 2\ndirect\n0.250000 0.864317 0.728638 Ba\n0.750000 0.135682 0.271363 Ba\n0.250000 0.574414 0.148830 Sn\n0.750000 0.425584 0.851170 Sn\n",
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"spacegroup": 63
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{
"id": "jvasp-78338",
"created_at": "2022-09-04T14:36:33.729381Z",
"updated_at": "2022-09-04T14:36:33.729398Z",
"structure_string": "Cr1\n1.0\n-1.420164 -1.420164 1.420164\n-1.420164 1.420164 -1.420164\n1.420164 -1.420164 -1.420164\nCr\n1\ndirect\n0.000000 0.000000 0.000000 Cr\n",
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