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{
"id": "jvasp-97801",
"created_at": "2022-09-04T14:35:46.104116Z",
"updated_at": "2022-09-04T14:35:46.104138Z",
"structure_string": "Yb4 In2 Cu4\n1.0\n3.717943 -0.000000 0.000000\n0.000000 7.429306 0.000000\n-0.000000 -0.000000 7.429306\nYb In Cu\n4 2 4\ndirect\n0.500000 0.177105 0.677106 Yb\n0.500000 0.322895 0.177105 Yb\n0.500000 0.677106 0.822895 Yb\n0.500000 0.822895 0.322895 Yb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.381983 0.881984 Cu\n0.000000 0.118017 0.381983 Cu\n0.000000 0.881984 0.618017 Cu\n0.000000 0.618017 0.118017 Cu\n",
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"formula_full": "Yb4 In2 Cu4",
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{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
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"elements": [
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"formula_full": "Y1 Mg6 Cu1",
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"spacegroup": 38
},
{
"id": "jvasp-94752",
"created_at": "2022-09-04T14:35:46.104507Z",
"updated_at": "2022-09-04T14:35:46.104529Z",
"structure_string": "Mg6 Al1 Sb1\n1.0\n6.355327 -0.119211 0.000000\n-3.280903 5.444268 0.000000\n0.000000 0.000000 5.251183\nMg Al Sb\n6 1 1\ndirect\n0.160567 0.840019 0.250000 Mg\n0.659982 0.339434 0.250000 Mg\n0.666220 0.833781 0.250000 Mg\n0.337809 0.651461 0.750000 Mg\n0.848540 0.162192 0.750000 Mg\n0.833562 0.666439 0.750000 Mg\n0.142659 0.357342 0.250000 Al\n0.350669 0.149331 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Al-Mg-Sb",
"density": 2.722968110732983,
"density_atomic": 0.04453409811803759,
"volume": 179.63763359024375,
"volume_molar": 13.5225389409219,
"formula_full": "Mg6 Al1 Sb1",
"formula_reduced": "Mg6AlSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-65769",
"created_at": "2022-09-04T14:35:42.255119Z",
"updated_at": "2022-09-04T14:35:42.255150Z",
"structure_string": "Ba2 Sb1 Br1\n1.0\n0.000000 4.176257 4.176257\n4.176257 -0.000000 4.176257\n4.176257 4.176257 -0.000000\nBa Sb Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"Br"
],
"chemical_system": "Ba-Br-Sb",
"density": 5.4294325944624235,
"density_atomic": 0.027457964924343846,
"volume": 145.67722010794967,
"volume_molar": 21.932218125389383,
"formula_full": "Ba2 Sb1 Br1",
"formula_reduced": "Ba2SbBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"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",
"nsites": 8,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-K-Mg",
"density": 2.286488969565795,
"density_atomic": 0.037047395822001436,
"volume": 215.9396044579473,
"volume_molar": 16.25523367130603,
"formula_full": "K1 Mg6 Cd1",
"formula_reduced": "KMg6Cd",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-105667",
"created_at": "2022-09-04T14:35:41.330637Z",
"updated_at": "2022-09-04T14:35:41.330656Z",
"structure_string": "Rb2 Y1 Ag1 Br6\n1.0\n6.823934 0.000000 3.939800\n2.274644 6.433666 3.939800\n-0.000000 -0.000000 7.879600\nRb Y Ag Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.748186 0.251814 0.251814 Br\n0.251813 0.251814 0.748187 Br\n0.251813 0.748187 0.748187 Br\n0.251813 0.748187 0.251814 Br\n0.748186 0.251814 0.748187 Br\n0.748185 0.748187 0.251814 Br\n",
"nsites": 10,
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"elements": [
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"Ag",
"Br"
],
"chemical_system": "Ag-Br-Rb-Y",
"density": 4.066338518623428,
"density_atomic": 0.028906965206048317,
"volume": 345.93738667204195,
"volume_molar": 20.832836366855844,
"formula_full": "Rb2 Y1 Ag1 Br6",
"formula_reduced": "Rb2YAgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-91866",
"created_at": "2022-09-04T14:35:46.169419Z",
"updated_at": "2022-09-04T14:35:46.169451Z",
"structure_string": "Mg7 Cd1\n1.0\n6.332018 0.000000 0.000000\n-3.166009 5.483688 0.000000\n0.000000 -0.000000 5.136831\nMg Cd\n7 1\ndirect\n0.164965 0.832482 0.250000 Mg\n0.667518 0.335036 0.250000 Mg\n0.667518 0.832482 0.250000 Mg\n0.333143 0.166858 0.750000 Mg\n0.333143 0.666287 0.750000 Mg\n0.833713 0.166858 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 2.630438213390585,
"density_atomic": 0.04485179528146294,
"volume": 178.3652125806069,
"volume_molar": 13.426755210596719,
"formula_full": "Mg7 Cd1",
"formula_reduced": "Mg7Cd",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-92211",
"created_at": "2022-09-04T14:35:43.757335Z",
"updated_at": "2022-09-04T14:35:43.757357Z",
"structure_string": "Sr2 Cu2 Sn4\n1.0\n4.589911 -0.000000 0.000000\n0.000000 4.513996 -1.055190\n-0.000000 -0.034090 10.036970\nSr Cu Sn\n2 2 4\ndirect\n0.750000 0.392211 0.784422 Sr\n0.250000 0.607790 0.215578 Sr\n0.750000 0.175428 0.350854 Cu\n0.250000 0.824573 0.649146 Cu\n0.250000 0.249607 0.499214 Sn\n0.250000 0.956659 0.913317 Sn\n0.750000 0.750394 0.500786 Sn\n0.750000 0.043341 0.086683 Sn\n",
"nsites": 8,
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"elements": [
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"Cu",
"Sn"
],
"chemical_system": "Cu-Sn-Sr",
"density": 6.210736843563874,
"density_atomic": 0.038500544546828816,
"volume": 207.78926880552234,
"volume_molar": 15.641702814554158,
"formula_full": "Sr2 Cu2 Sn4",
"formula_reduced": "SrCuSn2",
"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-65672",
"created_at": "2022-09-04T14:35:44.559083Z",
"updated_at": "2022-09-04T14:35:44.559111Z",
"structure_string": "Ba2 Hg1 Cl1\n1.0\n0.000000 4.114289 4.114289\n4.114289 0.000000 4.114289\n4.114289 4.114289 0.000000\nBa Hg Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Hg",
"Cl"
],
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"density": 6.088327766667874,
"density_atomic": 0.028717432698105477,
"volume": 139.28821709274467,
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"formula_full": "Ba2 Hg1 Cl1",
"formula_reduced": "Ba2HgCl",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-64512",
"created_at": "2022-09-04T14:35:42.256788Z",
"updated_at": "2022-09-04T14:35:42.256815Z",
"structure_string": "Ba4 Hg1 Sb1\n1.0\n-0.000000 4.998321 4.998321\n4.998321 0.000000 4.998321\n4.998321 4.998321 -0.000000\nBa Hg Sb\n4 1 1\ndirect\n0.120928 0.626357 0.626357 Ba\n0.626357 0.626357 0.626357 Ba\n0.626357 0.120928 0.626357 Ba\n0.626357 0.626357 0.120928 Ba\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
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"volume": 249.7482345617636,
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"formula_full": "Ba4 Hg1 Sb1",
"formula_reduced": "Ba4HgSb",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66126",
"created_at": "2022-09-04T14:35:42.943620Z",
"updated_at": "2022-09-04T14:35:42.943658Z",
"structure_string": "Ba1 Ca1 Hg1\n1.0\n-0.000000 3.935268 3.935268\n3.935268 0.000000 3.935268\n3.935268 3.935268 0.000000\nBa Ca Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Hg\n",
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"volume": 121.88575107960315,
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},
{
"id": "jvasp-94115",
"created_at": "2022-09-04T14:35:41.419290Z",
"updated_at": "2022-09-04T14:35:41.419319Z",
"structure_string": "Na1 Mg6 Ni1\n1.0\n6.510806 -0.191421 0.000000\n-3.421179 5.542812 0.000000\n0.000000 0.000000 4.895492\nNa Mg Ni\n1 6 1\ndirect\n0.318985 0.181015 0.750000 Na\n0.177001 0.809142 0.250000 Mg\n0.690858 0.322999 0.250000 Mg\n0.676602 0.823398 0.250000 Mg\n0.325723 0.648742 0.750000 Mg\n0.851259 0.174277 0.750000 Mg\n0.835763 0.664237 0.750000 Mg\n0.123808 0.376192 0.250000 Ni\n",
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}
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}