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{
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"results": [
{
"id": "jvasp-92485",
"created_at": "2022-09-04T14:35:57.140388Z",
"updated_at": "2022-09-04T14:35:57.140408Z",
"structure_string": "Sr1 Ge2 Pd2\n1.0\n-2.226468 2.226468 5.133600\n2.226468 -2.226468 5.133600\n2.226468 2.226468 -5.133600\nSr Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.629957 0.629957 0.000000 Ge\n0.370042 0.370042 0.000000 Ge\n0.250001 0.750003 0.500002 Pd\n0.750003 0.250001 0.500002 Pd\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ge-Pd-Sr",
"density": 7.271362119587953,
"density_atomic": 0.04911962827682416,
"volume": 101.79230127356485,
"volume_molar": 12.260151331074695,
"formula_full": "Sr1 Ge2 Pd2",
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"formula_anonymous": "AB2C2",
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{
"id": "jvasp-16313",
"created_at": "2022-09-04T14:37:52.997124Z",
"updated_at": "2022-09-04T14:37:52.997135Z",
"structure_string": "Sr1 Ge2 Rh2\n1.0\n3.968004 -0.000000 -1.442648\n-0.524503 3.933186 -1.442648\n0.010484 0.011975 6.207161\nSr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.631976 0.631977 0.263953 Ge\n0.368022 0.368023 0.736046 Ge\n0.749999 0.250000 0.499999 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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"Rh"
],
"chemical_system": "Ge-Rh-Sr",
"density": 7.5093757138229575,
"density_atomic": 0.05154021392670262,
"volume": 97.01162682620406,
"volume_molar": 11.684353442079859,
"formula_full": "Sr1 Ge2 Rh2",
"formula_reduced": "Sr(GeRh)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
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{
"id": "jvasp-7912",
"created_at": "2022-09-04T14:37:04.908477Z",
"updated_at": "2022-09-04T14:37:04.908506Z",
"structure_string": "Sr1 Ge2 Ru2\n1.0\n4.049549 0.000000 -1.561560\n-0.602159 4.004528 -1.561560\n-0.002462 -0.002860 6.025183\nSr Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.639551 0.639551 0.279103 Ge\n0.360449 0.360449 0.720897 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Sr",
"density": 7.396237602738037,
"density_atomic": 0.051192055849445924,
"volume": 97.67140461607613,
"volume_molar": 11.763818936498486,
"formula_full": "Sr1 Ge2 Ru2",
"formula_reduced": "Sr(GeRu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92533",
"created_at": "2022-09-04T14:36:00.761727Z",
"updated_at": "2022-09-04T14:36:00.761748Z",
"structure_string": "Sr1 Ge3 Ir1\n1.0\n4.527243 -0.000000 0.000000\n-0.000000 4.527243 0.000000\n-2.263622 -2.263622 5.084924\nSr Ge Ir\n1 3 1\ndirect\n0.000489 0.000489 0.000978 Sr\n0.753874 0.253874 0.507749 Ge\n0.253874 0.753874 0.507749 Ge\n0.411506 0.411506 0.823012 Ge\n0.649255 0.649255 0.298510 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Sr",
"density": 7.930752479225573,
"density_atomic": 0.047975325087462606,
"volume": 104.22024219501643,
"volume_molar": 12.552579370793605,
"formula_full": "Sr1 Ge3 Ir1",
"formula_reduced": "SrGe3Ir",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.262891052,
"spacegroup": 107
},
{
"id": "jvasp-37355",
"created_at": "2022-09-04T14:38:02.754693Z",
"updated_at": "2022-09-04T14:38:02.754727Z",
"structure_string": "Sr1 Ge3 Pd1\n1.0\n-2.271075 2.271075 5.150983\n2.271075 -2.271075 5.150983\n2.271075 2.271075 -5.150983\nSr Ge Pd\n1 3 1\ndirect\n0.999620 0.999620 0.000000 Sr\n0.399253 0.399253 0.000000 Ge\n0.753072 0.253074 0.499999 Ge\n0.253074 0.753072 0.499999 Ge\n0.642674 0.642674 0.000000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ge",
"Pd"
],
"chemical_system": "Ge-Pd-Sr",
"density": 6.437112301092395,
"density_atomic": 0.04704970916897554,
"volume": 106.27058250334494,
"volume_molar": 12.79952812964673,
"formula_full": "Sr1 Ge3 Pd1",
"formula_reduced": "SrGe3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.6324759719999999,
"spacegroup": 107
},
{
"id": "jvasp-92534",
"created_at": "2022-09-04T14:36:04.905569Z",
"updated_at": "2022-09-04T14:36:04.905596Z",
"structure_string": "Sr1 Ge3 Pt1\n1.0\n4.559484 -0.000000 -0.000000\n-0.000000 4.559484 -0.000000\n-2.279742 -2.279742 5.103245\nSr Ge Pt\n1 3 1\ndirect\n0.000991 0.000991 0.001982 Sr\n0.755544 0.255544 0.511088 Ge\n0.255544 0.755544 0.511088 Ge\n0.402078 0.402078 0.804158 Ge\n0.645842 0.645842 0.291685 Pt\n",
"nsites": 5,
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"elements": [
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"Pt"
],
"chemical_system": "Ge-Pt-Sr",
"density": 7.835792963409273,
"density_atomic": 0.04712943067868842,
"volume": 106.09082112805923,
"volume_molar": 12.777877163543094,
"formula_full": "Sr1 Ge3 Pt1",
"formula_reduced": "SrGe3Pt",
"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.002899273457158,
"density_atomic": 0.09500366535993014,
"volume": 221.04410309264978,
"volume_molar": 6.338850966628039,
"formula_full": "Sr1 H12 Cl2 O6",
"formula_reduced": "SrH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.654768830714286,
"spacegroup": 150
},
{
"id": "jvasp-112932",
"created_at": "2022-09-04T14:38:45.378277Z",
"updated_at": "2022-09-04T14:38:45.378300Z",
"structure_string": "Sr1 H16 O10\n1.0\n6.153468 0.026599 -0.180846\n0.001097 6.160391 -0.019546\n-0.079906 0.093402 5.753237\nSr H O\n1 16 10\ndirect\n-0.000022 -0.001919 -0.004872 Sr\n0.079148 0.714870 0.478700 H\n0.256977 0.630626 0.317029 H\n0.947598 0.475130 0.213381 H\n0.529227 -0.012017 0.226984 H\n0.600958 0.742619 0.267409 H\n0.367950 0.291478 0.298426 H\n0.285982 0.096156 0.448716 H\n0.706158 0.399907 0.247423 H\n0.743265 0.365379 0.673104 H\n0.293714 0.596393 0.742560 H\n0.052209 0.521206 0.776170 H\n0.470840 0.008160 0.763529 H\n0.399328 0.253552 0.723094 H\n0.713998 0.900028 0.541846 H\n0.631825 0.704516 0.691819 H\n-0.079127 0.281346 0.511043 H\n0.660319 0.891234 0.230889 O\n0.299328 0.140688 0.283412 O\n0.894689 0.296193 0.678588 O\n0.148661 0.649797 0.795799 O\n0.511186 0.486193 0.626569 O\n0.700444 0.855336 0.707055 O\n0.488929 0.509976 0.363688 O\n0.851078 0.346583 0.193749 O\n0.339827 0.104988 0.759581 O\n0.105514 0.699799 0.311234 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.008822391194635,
"density_atomic": 0.12384500438629158,
"volume": 218.01444582926297,
"volume_molar": 4.8626432611008035,
"formula_full": "Sr1 H16 O10",
"formula_reduced": "Sr(H8O5)2",
"formula_anonymous": "AB10C16",
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"spacegroup": 2
},
{
"id": "jvasp-120029",
"created_at": "2022-09-04T14:38:53.357120Z",
"updated_at": "2022-09-04T14:38:53.357151Z",
"structure_string": "Sr1 H1 Br3\n1.0\n4.512546 -0.041097 0.008450\n-0.405809 5.916494 0.138865\n-1.725729 -2.277773 5.914413\nSr H Br\n1 1 3\ndirect\n0.646481 0.209645 0.082689 Sr\n0.887643 0.803458 0.805642 H\n0.701319 0.686211 0.016345 Br\n0.283158 0.336630 0.400823 Br\n0.988131 0.974766 0.691994 Br\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Br-H-Sr",
"density": 3.4217843802948686,
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"volume": 159.33829747861438,
"volume_molar": 19.19115311749938,
"formula_full": "Sr1 H1 Br3",
"formula_reduced": "SrHBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.1076477249999999,
"spacegroup": 1
},
{
"id": "jvasp-118064",
"created_at": "2022-09-04T14:38:49.690505Z",
"updated_at": "2022-09-04T14:38:49.690539Z",
"structure_string": "Sr1 H1 Cl1\n1.0\n7.366735 0.000000 0.000000\n0.000000 7.366735 -0.000000\n0.000000 0.000000 10.130466\nSr H Cl\n1 1 1\ndirect\n0.000000 -0.000000 0.579624 Sr\n0.000000 -0.000000 0.361986 H\n0.000000 0.000000 -0.160629 Cl\n",
"nsites": 3,
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"elements": [
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],
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"density_atomic": 0.005456846489152746,
"volume": 549.7680768486844,
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"formula_full": "Sr1 H1 Cl1",
"formula_reduced": "SrHCl",
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"spacegroup": 99
},
{
"id": "jvasp-118061",
"created_at": "2022-09-04T14:38:26.040695Z",
"updated_at": "2022-09-04T14:38:26.040724Z",
"structure_string": "Sr1 H1 Cl1\n1.0\n6.488386 3.099380 0.000000\n2.326613 5.078639 0.000000\n0.000000 0.000000 5.292480\nSr H Cl\n1 1 1\ndirect\n-0.112079 0.440926 0.000000 Sr\n0.387938 -0.058941 0.000000 H\n-0.111357 -0.059781 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"formula_full": "Sr1 H1 Cl1",
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"spacegroup": 47
},
{
"id": "jvasp-118062",
"created_at": "2022-09-04T14:38:53.907053Z",
"updated_at": "2022-09-04T14:38:53.907071Z",
"structure_string": "Sr1 H1 Cl2\n1.0\n4.237339 0.000000 0.000000\n0.000000 4.237339 0.000000\n-0.000000 0.000000 5.569439\nSr H Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502563 Sr\n0.000000 0.000000 0.002410 H\n0.000000 0.000000 0.502471 Cl\n0.500000 0.500000 0.002555 Cl\n",
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"formula_full": "Sr1 H1 Cl2",
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}
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}