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{
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"results": [
{
"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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{
"id": "jvasp-22626",
"created_at": "2022-09-04T14:35:42.714053Z",
"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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"spacegroup": 19
},
{
"id": "jvasp-93203",
"created_at": "2022-09-04T14:36:12.228174Z",
"updated_at": "2022-09-04T14:36:12.228195Z",
"structure_string": "Mg6 Ti1 Bi1\n1.0\n6.387425 0.143862 0.000000\n-3.069125 5.315878 0.000000\n0.000000 0.000000 5.264903\nMg Ti Bi\n6 1 1\ndirect\n0.664373 0.329570 0.250000 Mg\n0.664374 0.834804 0.250000 Mg\n0.339348 0.181704 0.750000 Mg\n0.339348 0.657645 0.750000 Mg\n0.845903 0.172952 0.750000 Mg\n0.821035 0.660518 0.750000 Mg\n0.163807 0.331903 0.250000 Ti\n0.161811 0.830904 0.250000 Bi\n",
"nsites": 8,
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"elements": [
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"Ti",
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],
"chemical_system": "Bi-Mg-Ti",
"density": 3.6923615463690025,
"density_atomic": 0.04417614890079187,
"volume": 181.0931961943065,
"volume_molar": 13.632108977005124,
"formula_full": "Mg6 Ti1 Bi1",
"formula_reduced": "Mg6TiBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-105688",
"created_at": "2022-09-04T14:36:00.298678Z",
"updated_at": "2022-09-04T14:36:00.298701Z",
"structure_string": "Rb3 Sb1 Cl6\n1.0\n6.946455 -0.000000 4.010538\n2.315485 6.549181 4.010538\n-0.000000 -0.000000 8.021075\nRb Sb Cl\n3 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.766641 0.233360 0.233360 Cl\n0.233361 0.233360 0.766640 Cl\n0.233361 0.766640 0.766640 Cl\n0.233361 0.766640 0.233360 Cl\n0.766641 0.233360 0.766640 Cl\n0.766641 0.766640 0.233360 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"Cl"
],
"chemical_system": "Cl-Rb-Sb",
"density": 2.6888502746500533,
"density_atomic": 0.02740420470521345,
"volume": 364.9075062593432,
"volume_molar": 21.975243670743463,
"formula_full": "Rb3 Sb1 Cl6",
"formula_reduced": "Rb3SbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"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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"elements": [
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"chemical_system": "Cd-Mg-Nb",
"density": 3.480229267851062,
"density_atomic": 0.047748453735439796,
"volume": 167.54469253236257,
"volume_molar": 12.612221525260102,
"formula_full": "Mg6 Nb1 Cd1",
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"spacegroup": 38
},
{
"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",
"nsites": 6,
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"Zn",
"Cu"
],
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"volume": 252.66743108010326,
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"formula_full": "Ba4 Zn1 Cu1",
"formula_reduced": "Ba4ZnCu",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-18660",
"created_at": "2022-09-04T14:36:02.148192Z",
"updated_at": "2022-09-04T14:36:02.148220Z",
"structure_string": "Ce1 Hg2\n1.0\n2.535585 -4.391764 -0.000000\n2.535585 4.391764 -0.000000\n-0.000000 -0.000000 3.333850\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ce",
"Hg"
],
"chemical_system": "Ce-Hg",
"density": 12.105721977152507,
"density_atomic": 0.0404043416761059,
"volume": 74.24944636021935,
"volume_molar": 14.904687244443688,
"formula_full": "Ce1 Hg2",
"formula_reduced": "CeHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 191
},
{
"id": "jvasp-85447",
"created_at": "2022-09-04T14:35:45.281690Z",
"updated_at": "2022-09-04T14:35:45.281723Z",
"structure_string": "Ba1 Ni1 F6\n1.0\n4.805402 -0.031670 -0.704612\n-0.810914 4.736593 -0.704612\n-0.026888 -0.031670 4.856712\nBa Ni F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.733048 0.733047 0.073681 F\n0.733047 0.073681 0.733048 F\n0.266952 0.926319 0.266952 F\n0.266952 0.266952 0.926319 F\n0.926319 0.266952 0.266952 F\n0.073681 0.733047 0.733048 F\n",
"nsites": 8,
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"elements": [
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"density": 4.671186060199112,
"density_atomic": 0.07259240836299223,
"volume": 110.20436131553416,
"volume_molar": 8.295827202600568,
"formula_full": "Ba1 Ni1 F6",
"formula_reduced": "BaNiF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-87978",
"created_at": "2022-09-04T14:35:51.711218Z",
"updated_at": "2022-09-04T14:35:51.711234Z",
"structure_string": "Hg12 Te8 I8\n1.0\n8.624853 0.000391 1.270532\n3.030121 8.075051 1.270532\n0.002744 0.001901 14.613257\nHg Te I\n12 8 8\ndirect\n0.676780 0.323219 0.750000 Hg\n0.500000 -0.000000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.248211 0.694995 0.983815 Hg\n0.305005 0.751789 0.516185 Hg\n0.751789 0.305005 0.016185 Hg\n0.694994 0.248211 0.483815 Hg\n0.890072 0.863827 0.674547 Hg\n0.136172 0.109928 0.825453 Hg\n0.109928 0.136172 0.325453 Hg\n0.863827 0.890072 0.174547 Hg\n0.323219 0.676781 0.250000 Hg\n0.119105 0.592609 0.154989 Te\n0.141691 0.571246 0.635867 Te\n0.428753 0.858308 0.864134 Te\n0.858308 0.428754 0.364133 Te\n0.571246 0.141692 0.135867 Te\n0.592608 0.119105 0.654989 Te\n0.880894 0.407391 0.845011 Te\n0.407391 0.880894 0.345011 Te\n0.346628 0.388486 0.881751 I\n0.092889 0.129298 0.112583 I\n0.870701 0.907111 0.387417 I\n0.611513 0.653371 0.618249 I\n0.653371 0.611513 0.118249 I\n0.388486 0.346629 0.381751 I\n0.907110 0.870701 0.887417 I\n0.129298 0.092889 0.612583 I\n",
"nsites": 28,
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],
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"density": 7.249664276187882,
"density_atomic": 0.027513079357017755,
"volume": 1017.6977879016674,
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"formula_full": "Hg12 Te8 I8",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 15
},
{
"id": "jvasp-18701",
"created_at": "2022-09-04T14:35:49.089072Z",
"updated_at": "2022-09-04T14:35:49.089096Z",
"structure_string": "Dy1 Zn5\n1.0\n2.653531 -4.596050 0.000000\n2.653531 4.596050 -0.000000\n0.000000 0.000000 4.193691\nDy Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 -0.000000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"formula_full": "Dy1 Zn5",
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"spacegroup": 191
},
{
"id": "jvasp-65796",
"created_at": "2022-09-04T14:35:51.480962Z",
"updated_at": "2022-09-04T14:35:51.481002Z",
"structure_string": "Ba1 Na2 Sb1\n1.0\n4.209584 0.000000 0.000000\n0.000000 4.209584 -0.000000\n0.000000 -0.000000 8.456641\nBa Na Sb\n1 2 1\ndirect\n0.500000 0.500000 0.693627 Ba\n0.000000 0.000000 0.061474 Na\n0.500000 0.500000 0.284576 Na\n0.000000 0.000000 0.460324 Sb\n",
"nsites": 4,
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"density": 3.3803947405353343,
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"volume": 149.85673096600897,
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"formula_full": "Ba1 Na2 Sb1",
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},
{
"id": "jvasp-99722",
"created_at": "2022-09-04T14:36:30.990765Z",
"updated_at": "2022-09-04T14:36:30.990775Z",
"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n5.456645 0.000000 3.150395\n1.818882 5.144575 3.150395\n-0.000000 -0.000000 6.300790\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Hg\n0.216168 0.216167 0.783833 F\n0.216168 0.783832 0.783834 F\n0.783833 0.783832 0.216169 F\n0.216168 0.783832 0.216168 F\n0.783833 0.216167 0.783833 F\n0.783833 0.216167 0.216168 F\n",
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"formula_full": "Rb2 Ga1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
}
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}