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{
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"results": [
{
"id": "jvasp-109968",
"created_at": "2022-09-04T14:38:27.203806Z",
"updated_at": "2022-09-04T14:38:27.203829Z",
"structure_string": "Ho3 Ga1\n1.0\n4.653978 -0.000000 0.000000\n0.000000 4.653978 0.000000\n-0.000000 -0.000000 4.653978\nHo Ga\n3 1\ndirect\n0.500000 0.500000 -0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n-0.000000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Ga\n",
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"density_atomic": 0.03968140249168608,
"volume": 100.80288872950162,
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"formula_full": "Ho3 Ga1",
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{
"id": "jvasp-35724",
"created_at": "2022-09-04T14:37:32.758951Z",
"updated_at": "2022-09-04T14:37:32.758980Z",
"structure_string": "Ho2 Ga2\n1.0\n-0.000000 0.000000 4.020783\n4.297589 0.000000 -0.000000\n-2.148795 5.376186 -0.000000\nHo Ga\n2 2\ndirect\n0.250000 0.139245 0.278489 Ho\n0.749999 0.860755 0.721511 Ho\n0.250000 0.421783 0.843568 Ga\n0.749999 0.578216 0.156433 Ga\n",
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{
"id": "jvasp-98642",
"created_at": "2022-09-04T14:35:52.011345Z",
"updated_at": "2022-09-04T14:35:52.011363Z",
"structure_string": "Na6 Ga2 P4 H4 O18\n1.0\n7.677393 3.590018 -0.867649\n-7.677393 3.590018 0.867649\n0.020146 -0.000000 7.036580\nNa Ga P H O\n6 2 4 4 18\ndirect\n0.234250 0.234250 -0.000000 Na\n0.765750 0.765750 0.000000 Na\n0.386679 0.613322 0.288456 Na\n0.613322 0.386679 0.711544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.881474 0.118527 0.300773 P\n0.118527 0.881473 0.699227 P\n0.619271 0.380730 0.226740 P\n0.380730 0.619271 0.773261 P\n0.942331 0.057670 0.611930 H\n0.057670 0.942331 0.388070 H\n0.812252 0.187749 0.813792 H\n0.187749 0.812251 0.186208 H\n0.651691 0.991252 0.237879 O\n0.116541 0.883459 0.470315 O\n0.883459 0.116541 0.529685 O\n0.026561 0.973440 0.760958 O\n0.973440 0.026560 0.239042 O\n0.348310 0.008748 0.762121 O\n0.991253 0.651691 0.762121 O\n0.008748 0.348309 0.237879 O\n0.520466 0.479535 0.219802 O\n0.176380 0.467604 0.886061 O\n0.467604 0.176380 0.113939 O\n0.823621 0.532397 0.113939 O\n0.332929 0.667071 0.571232 O\n0.667071 0.332929 0.428768 O\n0.479535 0.520466 0.780199 O\n0.759471 0.240529 0.878970 O\n0.532397 0.823620 0.886061 O\n0.240530 0.759471 0.121030 O\n",
"nsites": 34,
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"elements": [
"Na",
"Ga",
"P",
"H",
"O"
],
"chemical_system": "Ga-H-Na-O-P",
"density": 2.9670725531530495,
"density_atomic": 0.08762668754468603,
"volume": 388.00964583605185,
"volume_molar": 6.8724961866542715,
"formula_full": "Na6 Ga2 P4 H4 O18",
"formula_reduced": "Na3GaP2H2O9",
"formula_anonymous": "AB2C2D3E9",
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"spacegroup": 12
},
{
"id": "jvasp-12576",
"created_at": "2022-09-04T14:37:03.940694Z",
"updated_at": "2022-09-04T14:37:03.940722Z",
"structure_string": "Na2 Ga2 H8\n1.0\n4.733503 -0.045151 0.000000\n-0.370153 4.719224 0.000000\n0.000000 -0.000000 7.051346\nNa Ga H\n2 2 8\ndirect\n0.344941 0.344941 0.250000 Na\n0.655059 0.655058 0.750000 Na\n0.843535 0.843534 0.250000 Ga\n0.156465 0.156465 0.750000 Ga\n0.194470 0.824252 0.750000 H\n0.805530 0.175748 0.250000 H\n0.824252 0.194470 0.750000 H\n0.175748 0.805530 0.250000 H\n0.693282 0.693282 0.430977 H\n0.306718 0.306718 0.930977 H\n0.693282 0.693282 0.069023 H\n0.306718 0.306718 0.569024 H\n",
"nsites": 12,
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"elements": [
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"Ga",
"H"
],
"chemical_system": "Ga-H-Na",
"density": 2.0412926841219154,
"density_atomic": 0.07623967146386164,
"volume": 157.39836976721654,
"volume_molar": 7.89895948443922,
"formula_full": "Na2 Ga2 H8",
"formula_reduced": "NaGaH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.667558554166667,
"spacegroup": 63
},
{
"id": "jvasp-52890",
"created_at": "2022-09-04T14:35:55.300160Z",
"updated_at": "2022-09-04T14:35:55.300188Z",
"structure_string": "K4 Ga4 H16\n1.0\n5.524109 -0.000000 0.000000\n-0.000000 7.186636 0.000000\n0.000000 0.000000 8.886805\nK Ga H\n4 4 16\ndirect\n0.250000 0.333777 0.678365 K\n0.250000 0.166224 0.178365 K\n0.750000 0.666224 0.321635 K\n0.750000 0.833777 0.821635 K\n0.250000 0.690049 0.067831 Ga\n0.250000 0.809952 0.567831 Ga\n0.750000 0.309951 0.932168 Ga\n0.750000 0.190049 0.432168 Ga\n0.484264 0.678474 0.583556 H\n0.015737 0.821527 0.083557 H\n0.015737 0.678474 0.583556 H\n0.484264 0.821527 0.083557 H\n0.515737 0.321527 0.416443 H\n0.984264 0.178474 0.916443 H\n0.750000 0.045890 0.295212 H\n0.750000 0.091321 0.592503 H\n0.250000 0.954111 0.704788 H\n0.250000 0.545890 0.204788 H\n0.515737 0.178474 0.916443 H\n0.750000 0.408679 0.092503 H\n0.250000 0.908679 0.407497 H\n0.250000 0.591322 0.907497 H\n0.750000 0.454111 0.795212 H\n0.984264 0.321527 0.416443 H\n",
"nsites": 24,
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"elements": [
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"H"
],
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"density": 2.1246572988433368,
"density_atomic": 0.06802643361988216,
"volume": 352.80403106397,
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"formula_full": "K4 Ga4 H16",
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"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-37490",
"created_at": "2022-09-04T14:38:02.612240Z",
"updated_at": "2022-09-04T14:38:02.612257Z",
"structure_string": "Yb2 Ga1 Hg1\n1.0\n-0.000000 3.634133 3.634133\n3.634133 -0.000000 3.634133\n3.634133 3.634133 0.000000\nYb Ga Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
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"density_atomic": 0.04167038794230948,
"volume": 95.99142694658364,
"volume_molar": 14.451847120639593,
"formula_full": "Yb2 Ga1 Hg1",
"formula_reduced": "Yb2GaHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-77429",
"created_at": "2022-09-04T14:38:10.995805Z",
"updated_at": "2022-09-04T14:38:10.995832Z",
"structure_string": "Y2 Ga1 Hg1\n1.0\n-11.664769 4.459199 0.547173\n-8.167229 1.537196 2.943557\n-6.680935 5.741085 0.369215\nY Ga Hg\n2 1 1\ndirect\n0.751668 -0.000974 -0.000973 Y\n0.248336 0.000971 0.000971 Y\n0.000003 -0.000002 -0.000002 Ga\n0.499996 0.000003 0.000003 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.733506891829148,
"density_atomic": 0.04157081016700896,
"volume": 96.22136263234154,
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"formula_full": "Y2 Ga1 Hg1",
"formula_reduced": "Y2GaHg",
"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-3342",
"created_at": "2022-09-04T14:35:49.919347Z",
"updated_at": "2022-09-04T14:35:49.919371Z",
"structure_string": "Ga2 Hg1 Te4\n1.0\n5.655916 -0.000000 -2.530076\n-1.131785 5.541520 -2.530076\n-0.075971 -0.093056 7.417031\nGa Hg Te\n2 1 4\ndirect\n0.500000 0.500000 -0.000001 Ga\n0.249999 0.750000 0.499999 Ga\n0.000000 0.000000 0.000000 Hg\n0.420656 0.388300 0.280227 Te\n0.611700 0.140428 0.719772 Te\n0.108072 0.579344 0.719772 Te\n0.859572 0.891927 0.280226 Te\n",
"nsites": 7,
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],
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"volume": 229.80410527642763,
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"formula_full": "Ga2 Hg1 Te4",
"formula_reduced": "Ga2HgTe4",
"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-110588",
"created_at": "2022-09-04T14:38:38.294302Z",
"updated_at": "2022-09-04T14:38:38.294317Z",
"structure_string": "Ga2 Hg1 Te4\n1.0\n5.503540 -0.048548 -5.215402\n-1.050692 5.402533 -5.215402\n0.040376 0.048548 7.582068\nGa Hg Te\n2 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500001 Ga\n0.000000 0.000000 0.000000 Hg\n0.837891 0.405213 -0.000000 Te\n0.405214 0.837890 0.000000 Te\n0.162110 0.162109 0.567324 Te\n0.594787 0.594786 0.432677 Te\n",
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"elements": [
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"formula_full": "Ga2 Hg1 Te4",
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"spacegroup": 121
},
{
"id": "jvasp-2373",
"created_at": "2022-09-04T14:36:55.779995Z",
"updated_at": "2022-09-04T14:36:55.780017Z",
"structure_string": "Ga2 Hg1 Se4\n1.0\n5.264591 -0.000001 -2.450314\n-1.140456 5.139580 -2.450315\n-0.018932 -0.023592 6.840066\nGa Hg Se\n2 1 4\ndirect\n0.500000 0.500000 0.000001 Ga\n0.250000 0.750000 0.500001 Ga\n0.000000 0.000000 0.000000 Hg\n0.861238 0.882981 0.282005 Se\n0.420765 0.399023 0.282004 Se\n0.117019 0.579235 0.717997 Se\n0.600977 0.138762 0.717998 Se\n",
"nsites": 7,
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"elements": [
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],
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"density": 5.90403552993977,
"density_atomic": 0.03794688800617473,
"volume": 184.4683547926501,
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"formula_full": "Ga2 Hg1 Se4",
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"formula_anonymous": "AB2C4",
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},
{
"id": "jvasp-80458",
"created_at": "2022-09-04T14:37:10.727116Z",
"updated_at": "2022-09-04T14:37:10.727141Z",
"structure_string": "Sc2 Ga1 Hg1\n1.0\n-10.000638 -0.000000 -5.773870\n-6.549508 0.238653 -0.203660\n-5.629217 2.841629 -1.797651\nSc Ga Hg\n2 1 1\ndirect\n0.754330 0.000000 -0.000000 Sc\n0.245670 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 -0.000000 Hg\n",
"nsites": 4,
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],
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"density": 6.091003311214017,
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"volume": 98.20506777755907,
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"formula_full": "Sc2 Ga1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-2382",
"created_at": "2022-09-04T14:36:51.671929Z",
"updated_at": "2022-09-04T14:36:51.671950Z",
"structure_string": "Ga2 Hg1 S4\n1.0\n5.043494 0.000000 -2.390173\n-1.132732 4.914647 -2.390173\n-0.006838 -0.008593 6.501787\nGa Hg S\n2 1 4\ndirect\n0.250000 0.750001 0.500001 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Hg\n0.864271 0.871122 0.278157 S\n0.592965 0.135730 0.721845 S\n0.128878 0.586116 0.721845 S\n0.413884 0.407034 0.278156 S\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.8313848271358495,
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"volume": 160.9525696162576,
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"formula_full": "Ga2 Hg1 S4",
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"spacegroup": 82
}
]
}