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{
"id": "jvasp-94396",
"created_at": "2022-09-04T14:35:54.976738Z",
"updated_at": "2022-09-04T14:35:54.976764Z",
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{
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"structure_string": "Th1\n1.0\n3.166958 -0.000000 -1.706713\n-0.919770 3.030453 -1.706713\n-0.107047 -0.144359 3.593006\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
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{
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"updated_at": "2022-09-04T14:35:55.165083Z",
"structure_string": "Be1 Zn2 Pb1\n1.0\n3.215666 0.000000 -0.000000\n0.000000 3.215666 0.000000\n0.000000 0.000000 7.148556\nBe Zn Pb\n1 2 1\ndirect\n0.000000 0.000000 0.412386 Be\n0.000000 0.000000 0.062199 Zn\n0.500001 0.500001 0.289976 Zn\n0.500001 0.500001 0.735440 Pb\n",
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"volume": 73.91969924512819,
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"spacegroup": 99
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{
"id": "jvasp-105689",
"created_at": "2022-09-04T14:36:03.628344Z",
"updated_at": "2022-09-04T14:36:03.628362Z",
"structure_string": "Rb3 Sc1 I6\n1.0\n7.623026 -0.000000 4.401156\n2.541009 7.187058 4.401156\n0.000000 0.000000 8.802312\nRb Sc I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.770041 0.229960 0.229960 I\n0.229960 0.229960 0.770040 I\n0.229960 0.770040 0.770040 I\n0.229960 0.770040 0.229960 I\n0.770041 0.229960 0.770040 I\n0.770041 0.770040 0.229960 I\n",
"nsites": 10,
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"elements": [
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"density": 3.659482438821617,
"density_atomic": 0.020735986008281578,
"volume": 482.2534118226247,
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"formula_full": "Rb3 Sc1 I6",
"formula_reduced": "Rb3ScI6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-65213",
"created_at": "2022-09-04T14:35:48.270517Z",
"updated_at": "2022-09-04T14:35:48.270548Z",
"structure_string": "Mg1 Be1 Cu4\n1.0\n-0.000000 3.417629 3.417629\n3.417629 0.000000 3.417629\n3.417629 3.417629 -0.000000\nMg Be Cu\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Be\n0.123864 0.625379 0.625379 Cu\n0.625379 0.625379 0.625379 Cu\n0.625379 0.123864 0.625379 Cu\n0.625379 0.625379 0.123864 Cu\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-64339",
"created_at": "2022-09-04T14:36:03.562685Z",
"updated_at": "2022-09-04T14:36:03.562729Z",
"structure_string": "Ba4 Zn1 Ga1\n1.0\n-0.000000 5.026546 5.026546\n5.026546 0.000000 5.026546\n5.026546 5.026546 -0.000000\nBa Zn Ga\n4 1 1\ndirect\n0.126217 0.624595 0.624595 Ba\n0.624595 0.624595 0.624595 Ba\n0.624595 0.126217 0.624595 Ba\n0.624595 0.624595 0.126217 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Ga\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-65190",
"created_at": "2022-09-04T14:35:48.257267Z",
"updated_at": "2022-09-04T14:35:48.257289Z",
"structure_string": "K1 Be1 In4\n1.0\n0.000000 4.424675 4.424675\n4.424675 -0.000000 4.424675\n4.424675 4.424675 -0.000000\nK Be In\n1 1 4\ndirect\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Be\n0.123592 0.625470 0.625470 In\n0.625470 0.625470 0.625470 In\n0.625470 0.123592 0.625470 In\n0.625470 0.625470 0.123592 In\n",
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"spacegroup": 216
},
{
"id": "jvasp-90441",
"created_at": "2022-09-04T14:35:59.771219Z",
"updated_at": "2022-09-04T14:35:59.771245Z",
"structure_string": "K2 Ga2 Te4\n1.0\n7.202371 -0.000000 -3.327592\n-1.537392 7.036375 -3.327592\n-1.132581 -1.406759 7.006941\nK Ga Te\n2 2 4\ndirect\n0.250000 0.749999 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.456682 0.375000 0.250000 Te\n0.125000 0.543317 0.750000 Te\n0.625000 0.206682 0.750000 Te\n0.793318 0.874999 0.250000 Te\n",
"nsites": 8,
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"volume": 287.6715021956259,
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"formula_full": "K2 Ga2 Te4",
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"spacegroup": 122
},
{
"id": "jvasp-97337",
"created_at": "2022-09-04T14:35:47.570958Z",
"updated_at": "2022-09-04T14:35:47.570993Z",
"structure_string": "Na12 Hg8\n1.0\n7.745991 0.000000 0.000000\n0.000000 8.449348 0.000000\n0.000000 0.000000 8.449348\nNa Hg\n12 8\ndirect\n0.750000 0.500000 0.000000 Na\n0.000000 0.697478 0.302522 Na\n0.500000 0.197478 0.197478 Na\n0.000000 0.302522 0.697478 Na\n0.000000 0.140497 0.140497 Na\n0.500000 0.359503 0.640497 Na\n0.500000 0.802522 0.802522 Na\n0.000000 0.859503 0.859503 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.500000 0.000000 Na\n0.500000 0.640497 0.359503 Na\n0.698620 0.130498 0.869502 Hg\n0.801380 0.630498 0.630498 Hg\n0.801380 0.369502 0.369502 Hg\n0.301380 0.130498 0.869502 Hg\n0.301380 0.869502 0.130498 Hg\n0.198620 0.630498 0.630498 Hg\n0.698620 0.869502 0.130498 Hg\n0.198620 0.369502 0.369502 Hg\n",
"nsites": 20,
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"formula_full": "Na12 Hg8",
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},
{
"id": "jvasp-64014",
"created_at": "2022-09-04T14:35:51.344648Z",
"updated_at": "2022-09-04T14:35:51.344657Z",
"structure_string": "Ba4 Zn1 Pd1\n1.0\n0.000000 4.910052 4.910052\n4.910052 0.000000 4.910052\n4.910052 4.910052 -0.000000\nBa Zn Pd\n4 1 1\ndirect\n0.126454 0.624515 0.624515 Ba\n0.624515 0.624515 0.624515 Ba\n0.624515 0.126454 0.624515 Ba\n0.624515 0.624515 0.126454 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Pd\n",
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},
{
"id": "jvasp-91188",
"created_at": "2022-09-04T14:35:51.350329Z",
"updated_at": "2022-09-04T14:35:51.350349Z",
"structure_string": "Ba2 Hg1 Bi1\n1.0\n-13.824297 4.969749 0.134269\n-9.771811 1.676278 3.089803\n-8.041537 6.570574 0.093328\nBa Hg Bi\n2 1 1\ndirect\n0.749468 0.000401 0.000403 Ba\n0.250528 -0.000397 -0.000399 Ba\n0.000010 -0.000008 -0.000008 Hg\n0.499994 0.000005 0.000005 Bi\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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