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"results": [
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
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"elements": [
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"formula_full": "Th2 Mn2 Se6",
"formula_reduced": "ThMnSe3",
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{
"id": "jvasp-106716",
"created_at": "2022-09-04T14:36:57.827064Z",
"updated_at": "2022-09-04T14:36:57.827088Z",
"structure_string": "Th2 Mn2 Al2\n1.0\n4.764465 -0.090588 -2.449334\n-1.805555 4.338058 -2.574643\n0.168318 0.090588 5.354534\nTh Mn Al\n2 2 2\ndirect\n0.145257 0.895258 0.250000 Th\n0.854741 0.104742 0.750000 Th\n0.499999 -0.000000 0.000000 Mn\n0.499999 0.500000 0.500000 Mn\n-0.000000 0.500000 0.500000 Al\n0.499999 0.500000 0.000000 Al\n",
"nsites": 6,
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"elements": [
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"Mn",
"Al"
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{
"id": "jvasp-86433",
"created_at": "2022-09-04T14:35:41.740508Z",
"updated_at": "2022-09-04T14:35:41.740536Z",
"structure_string": "Th2 Mn1 N3\n1.0\n3.429432 -0.000000 -0.909397\n-0.279921 3.695739 -1.055611\n-0.007989 -0.041576 6.890945\nTh Mn N\n2 1 3\ndirect\n0.643977 0.643977 0.287953 Th\n0.356023 0.356022 0.712046 Th\n0.000000 0.000000 0.000000 Mn\n0.837140 0.837140 0.674280 N\n0.162859 0.162859 0.325719 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"N"
],
"chemical_system": "Mn-N-Th",
"density": 10.689854406431412,
"density_atomic": 0.06884692644754928,
"volume": 87.14985998062053,
"volume_molar": 8.74714540029313,
"formula_full": "Th2 Mn1 N3",
"formula_reduced": "Th2MnN3",
"formula_anonymous": "AB2C3",
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"spacegroup": 71
},
{
"id": "jvasp-19815",
"created_at": "2022-09-04T14:37:00.524440Z",
"updated_at": "2022-09-04T14:37:00.524460Z",
"structure_string": "Th2 Mg4\n1.0\n5.240519 0.000000 3.025615\n1.746840 4.940808 3.025615\n0.000000 0.000000 6.051229\nTh Mg\n2 4\ndirect\n0.875000 0.875000 0.875001 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.500000 0.500001 Mg\n0.500000 0.500000 0.000001 Mg\n-0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Mg"
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"chemical_system": "Mg-Th",
"density": 5.948743889437271,
"density_atomic": 0.03829441015173366,
"volume": 156.6808308634666,
"volume_molar": 15.725900297559138,
"formula_full": "Th2 Mg4",
"formula_reduced": "ThMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4997945666666668,
"spacegroup": 227
},
{
"id": "jvasp-19617",
"created_at": "2022-09-04T14:38:30.930785Z",
"updated_at": "2022-09-04T14:38:30.930801Z",
"structure_string": "Th2 Ir4\n1.0\n4.736192 -0.000000 2.734442\n1.578730 4.465325 2.734442\n0.000000 -0.000000 5.468884\nTh Ir\n2 4\ndirect\n0.875000 0.874999 0.874999 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.000000 0.500000 Ir\n0.000000 0.499999 0.500000 Ir\n0.500000 0.499999 0.500000 Ir\n0.500000 0.499999 -0.000000 Ir\n",
"nsites": 6,
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"elements": [
"Th",
"Ir"
],
"chemical_system": "Ir-Th",
"density": 17.701554477900537,
"density_atomic": 0.05187643999968034,
"volume": 115.65944000854668,
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"formula_full": "Th2 Ir4",
"formula_reduced": "ThIr2",
"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-16842",
"created_at": "2022-09-04T14:38:19.864644Z",
"updated_at": "2022-09-04T14:38:19.864670Z",
"structure_string": "Th2 Ir2\n1.0\n3.713487 -0.000000 -1.299220\n0.000000 4.257009 0.000000\n0.025960 0.000000 6.030836\nTh Ir\n2 2\ndirect\n0.136999 0.750000 0.273999 Th\n0.863001 0.250000 0.726002 Th\n0.401565 0.750000 0.803129 Ir\n0.598436 0.250000 0.196872 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ir"
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"chemical_system": "Ir-Th",
"density": 14.756676921244399,
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"volume": 95.48113102869486,
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"formula_full": "Th2 Ir2",
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"spacegroup": 63
},
{
"id": "jvasp-54523",
"created_at": "2022-09-04T14:38:31.315313Z",
"updated_at": "2022-09-04T14:38:31.315346Z",
"structure_string": "Th2 In4 Br12\n1.0\n8.538159 -0.066508 -0.046516\n-4.086103 7.497223 -0.046516\n0.045737 0.076337 9.095279\nTh In Br\n2 4 12\ndirect\n0.055606 0.944394 0.250000 Th\n0.944395 0.055606 0.750000 Th\n0.313166 0.624585 0.495985 In\n0.624586 0.313166 0.995985 In\n0.686835 0.375415 0.504015 In\n0.375415 0.686834 0.004015 In\n0.160392 0.932680 0.942415 Br\n0.575655 0.004523 0.714403 Br\n0.995477 0.424346 0.785596 Br\n0.424346 0.995477 0.285596 Br\n0.839608 0.067320 0.057585 Br\n0.932680 0.160392 0.442415 Br\n0.067320 0.839608 0.557585 Br\n0.004523 0.575654 0.214403 Br\n0.295801 0.323603 0.194227 Br\n0.704200 0.676397 0.805772 Br\n0.323603 0.295801 0.694227 Br\n0.676398 0.704199 0.305772 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Th",
"In",
"Br"
],
"chemical_system": "Br-In-Th",
"density": 5.390577863219304,
"density_atomic": 0.031045156774777132,
"volume": 579.8005830856114,
"volume_molar": 19.39800402262015,
"formula_full": "Th2 In4 Br12",
"formula_reduced": "Th(InBr3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-106720",
"created_at": "2022-09-04T14:37:02.030369Z",
"updated_at": "2022-09-04T14:37:02.030384Z",
"structure_string": "Th2 In3 Sn3\n1.0\n4.758204 -0.000000 0.000000\n0.000000 4.828293 0.000000\n0.000000 -0.000000 9.378129\nTh In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.245844 Th\n0.000000 0.000000 0.754156 Th\n0.500000 0.500000 0.254842 In\n0.500000 0.500000 0.745158 In\n-0.000000 0.500000 0.500000 In\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Th",
"In",
"Sn"
],
"chemical_system": "In-Sn-Th",
"density": 8.976260033041918,
"density_atomic": 0.03713103969664309,
"volume": 215.4531643972053,
"volume_molar": 16.218616039842388,
"formula_full": "Th2 In3 Sn3",
"formula_reduced": "Th2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.8952170262500001,
"spacegroup": 47
},
{
"id": "jvasp-3942",
"created_at": "2022-09-04T14:36:41.863230Z",
"updated_at": "2022-09-04T14:36:41.863253Z",
"structure_string": "Th2 I2 N2\n1.0\n4.131953 0.000000 0.000000\n0.000000 4.131953 0.000000\n0.000000 0.000000 9.293711\nTh I N\n2 2 2\ndirect\n0.000000 0.500000 0.877086 Th\n0.500000 0.000000 0.122914 Th\n0.500000 0.000000 0.664219 I\n0.000000 0.500000 0.335781 I\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 6,
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"elements": [
"Th",
"I",
"N"
],
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"density": 7.806006324330466,
"density_atomic": 0.03781388866909327,
"volume": 158.67185870529175,
"volume_molar": 15.925737796234973,
"formula_full": "Th2 I2 N2",
"formula_reduced": "ThIN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7863150416666664,
"spacegroup": 129
},
{
"id": "jvasp-18719",
"created_at": "2022-09-04T14:36:50.136433Z",
"updated_at": "2022-09-04T14:36:50.136452Z",
"structure_string": "Th2 Hg6\n1.0\n3.399104 -5.887421 -0.000000\n3.399104 5.887421 -0.000000\n0.000000 -0.000000 5.047316\nTh Hg\n2 6\ndirect\n0.333332 0.666666 0.250000 Th\n0.666666 0.333332 0.750001 Th\n0.326543 0.163271 0.250000 Hg\n0.163271 0.326543 0.750001 Hg\n0.163271 0.836728 0.750001 Hg\n0.836728 0.163271 0.250000 Hg\n0.836727 0.673456 0.250000 Hg\n0.673456 0.836727 0.750001 Hg\n",
"nsites": 8,
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"density": 13.707717497725318,
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"volume": 202.0133341536568,
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"formula_full": "Th2 Hg6",
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"spacegroup": 194
},
{
"id": "jvasp-20438",
"created_at": "2022-09-04T14:37:40.058160Z",
"updated_at": "2022-09-04T14:37:40.058179Z",
"structure_string": "Th2 Hg4\n1.0\n2.456479 -4.254746 -0.000000\n2.456479 4.254746 0.000000\n-0.000000 0.000000 7.488964\nTh Hg\n2 4\ndirect\n0.000000 0.000000 0.750000 Th\n0.000000 0.000000 0.250000 Th\n0.333333 0.666667 0.959304 Hg\n0.666667 0.333333 0.459304 Hg\n0.666667 0.333333 0.040696 Hg\n0.333333 0.666667 0.540695 Hg\n",
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},
{
"id": "jvasp-20629",
"created_at": "2022-09-04T14:38:12.167403Z",
"updated_at": "2022-09-04T14:38:12.167427Z",
"structure_string": "Th2 Hg4\n1.0\n2.456479 -4.254746 0.000000\n2.456479 4.254746 -0.000000\n-0.000000 0.000000 7.488964\nTh Hg\n2 4\ndirect\n0.000000 0.000000 0.750000 Th\n0.000000 0.000000 0.250000 Th\n0.333333 0.666667 0.959304 Hg\n0.666667 0.333333 0.459304 Hg\n0.666667 0.333333 0.040696 Hg\n0.333333 0.666667 0.540695 Hg\n",
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}