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{
"id": "jvasp-116514",
"created_at": "2022-09-04T14:38:49.051666Z",
"updated_at": "2022-09-04T14:38:49.051676Z",
"structure_string": "Li4 Mn4 F12\n1.0\n6.321220 -0.026237 0.000000\n-1.941855 6.015622 0.000000\n-0.000000 -0.000000 6.390945\nLi Mn F\n4 4 12\ndirect\n0.499997 0.500002 0.750001 Li\n0.000072 0.999927 0.250000 Li\n0.500002 0.499997 0.250000 Li\n0.999927 0.000072 0.750001 Li\n0.500000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.806986 0.551404 0.250000 F\n0.551403 0.806986 0.750001 F\n0.136375 0.863624 -0.000014 F\n0.863624 0.136375 0.499987 F\n0.863624 0.136375 0.000014 F\n0.192996 0.448663 0.250000 F\n0.193013 0.448596 0.750001 F\n0.448596 0.193013 0.250000 F\n0.551336 0.807003 0.250000 F\n0.448663 0.192996 0.750001 F\n0.136375 0.863624 0.500014 F\n0.807003 0.551336 0.750001 F\n",
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{
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"updated_at": "2022-09-04T14:38:08.716819Z",
"structure_string": "Au4 S4 Cl20\n1.0\n0.000000 8.023561 -0.072071\n8.070099 0.000000 0.000000\n0.000000 -5.711018 -11.565242\nAu S Cl\n4 4 20\ndirect\n0.910597 0.677447 0.341492 Au\n0.089402 0.177447 0.158508 Au\n0.089402 0.322553 0.658508 Au\n0.910597 0.822553 0.841491 Au\n0.762686 0.773645 0.963066 S\n0.762686 0.726355 0.463066 S\n0.237314 0.226355 0.036934 S\n0.237313 0.273645 0.536933 S\n0.076947 0.629241 0.235109 Cl\n0.643429 0.784737 0.675549 Cl\n0.356570 0.284737 0.824451 Cl\n0.248325 0.022022 0.544566 Cl\n0.643429 0.715263 0.175549 Cl\n0.751674 0.522022 0.955433 Cl\n0.923052 0.129241 0.264890 Cl\n0.356570 0.215263 0.324451 Cl\n0.923052 0.370759 0.764890 Cl\n0.820455 0.349871 0.485873 Cl\n0.179544 0.650129 0.514127 Cl\n0.820455 0.150129 0.985873 Cl\n0.248325 0.477978 0.044566 Cl\n0.179544 0.849871 0.014127 Cl\n0.508374 0.167132 0.123666 Cl\n0.508374 0.332868 0.623666 Cl\n0.491625 0.832868 0.876334 Cl\n0.491626 0.667132 0.376334 Cl\n0.076947 0.870759 0.735109 Cl\n0.751675 0.977978 0.455433 Cl\n",
"nsites": 28,
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"volume": 752.181836597794,
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"formula_full": "Au4 S4 Cl20",
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"spacegroup": 14
},
{
"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",
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"elements": [
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"density": 5.90403552993977,
"density_atomic": 0.03794688800617473,
"volume": 184.4683547926501,
"volume_molar": 15.869919976099423,
"formula_full": "Ga2 Hg1 Se4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 82
},
{
"id": "jvasp-23361",
"created_at": "2022-09-04T14:37:31.444865Z",
"updated_at": "2022-09-04T14:37:31.444882Z",
"structure_string": "Sr4 Sn4 Pt4\n1.0\n4.760261 -0.000000 0.000000\n-0.000000 7.674939 0.000000\n0.000000 0.000000 8.116358\nSr Sn Pt\n4 4 4\ndirect\n0.750000 0.980944 0.685310 Sr\n0.250000 0.019056 0.314691 Sr\n0.750000 0.480944 0.814691 Sr\n0.250000 0.519056 0.185310 Sr\n0.750000 0.334568 0.424049 Sn\n0.250000 0.165432 0.924050 Sn\n0.250000 0.665432 0.575951 Sn\n0.750000 0.834568 0.075951 Sn\n0.250000 0.795938 0.895885 Pt\n0.250000 0.295938 0.604116 Pt\n0.750000 0.704062 0.395885 Pt\n0.750000 0.204062 0.104115 Pt\n",
"nsites": 12,
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"elements": [
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"density": 8.991553060114098,
"density_atomic": 0.040468243407849526,
"volume": 296.52880850450725,
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"formula_full": "Sr4 Sn4 Pt4",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-106888",
"created_at": "2022-09-04T14:36:41.320823Z",
"updated_at": "2022-09-04T14:36:41.320849Z",
"structure_string": "Li2 Mn1 F4\n1.0\n3.230721 0.004347 8.115350\n1.559517 2.829397 8.115350\n0.007349 0.004347 8.734782\nLi Mn F\n2 1 4\ndirect\n0.204122 0.204123 0.204122 Li\n0.795878 0.795880 0.795876 Li\n0.000000 0.000000 0.000000 Mn\n0.125928 0.125928 0.125928 F\n0.628703 0.628705 0.628702 F\n0.371296 0.371298 0.371296 F\n0.874072 0.874075 0.874070 F\n",
"nsites": 7,
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"volume": 79.55791910673038,
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"formula_full": "Li2 Mn1 F4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 166
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{
"id": "jvasp-71328",
"created_at": "2022-09-04T14:35:50.772240Z",
"updated_at": "2022-09-04T14:35:50.772266Z",
"structure_string": "Be1 Tl2 Ge1\n1.0\n3.341234 0.000000 0.000000\n-0.000000 3.341234 0.000000\n0.000000 0.000000 8.335533\nBe Tl Ge\n1 2 1\ndirect\n-0.000000 -0.000000 0.591943 Be\n-0.000000 -0.000000 0.954490 Tl\n0.499999 0.499999 0.291545 Tl\n0.499999 0.499999 0.662020 Ge\n",
"nsites": 4,
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"density": 8.75122867726262,
"density_atomic": 0.04298459428549089,
"volume": 93.05659542656585,
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"formula_full": "Be1 Tl2 Ge1",
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"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-110581",
"created_at": "2022-09-04T14:38:39.164882Z",
"updated_at": "2022-09-04T14:38:39.164900Z",
"structure_string": "In1 Ag1 Se2\n1.0\n4.130505 -0.031529 6.135249\n1.849491 3.693433 6.135249\n-0.051488 -0.031529 7.395925\nIn Ag Se\n1 1 2\ndirect\n0.507882 0.507881 0.507881 In\n0.988934 0.988932 0.988933 Ag\n0.122736 0.122736 0.122736 Se\n0.630449 0.630448 0.630449 Se\n",
"nsites": 4,
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],
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"volume": 114.87953015225025,
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"formula_full": "In1 Ag1 Se2",
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"spacegroup": 160
},
{
"id": "jvasp-68687",
"created_at": "2022-09-04T14:35:51.926149Z",
"updated_at": "2022-09-04T14:35:51.926174Z",
"structure_string": "Be1 Tl2 Ge1\n1.0\n3.338115 0.000000 0.000000\n-0.000000 3.338115 -0.000000\n0.000000 0.000000 8.350835\nBe Tl Ge\n1 2 1\ndirect\n0.000000 0.000000 0.591009 Be\n0.000000 0.000000 0.954593 Tl\n0.499999 0.499999 0.292064 Tl\n0.499999 0.499999 0.662333 Ge\n",
"nsites": 4,
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},
{
"id": "jvasp-116424",
"created_at": "2022-09-04T14:38:42.456552Z",
"updated_at": "2022-09-04T14:38:42.456577Z",
"structure_string": "Cd1 As1 I2\n1.0\n4.459118 0.000000 0.000000\n0.000000 4.459118 0.000000\n0.000000 0.000000 6.325993\nCd As I\n1 1 2\ndirect\n0.500000 0.500000 0.502368 Cd\n0.000000 0.000000 0.002573 As\n0.000000 0.000000 0.502588 I\n0.500000 0.500000 0.002472 I\n",
"nsites": 4,
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},
{
"id": "jvasp-99539",
"created_at": "2022-09-04T14:36:32.878404Z",
"updated_at": "2022-09-04T14:36:32.878434Z",
"structure_string": "Na1 Ac3\n1.0\n5.403641 -0.000000 3.119794\n1.801214 5.094602 3.119794\n-0.000000 -0.000000 6.239588\nNa Ac\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Ac\n0.749999 0.750000 0.750000 Ac\n0.500000 0.500000 0.500000 Ac\n",
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{
"id": "jvasp-64858",
"created_at": "2022-09-04T14:35:42.028051Z",
"updated_at": "2022-09-04T14:35:42.028066Z",
"structure_string": "Ba4 Zr1 Hg1\n1.0\n0.000000 5.030876 5.030876\n5.030876 0.000000 5.030876\n5.030876 5.030876 0.000000\nBa Zr Hg\n4 1 1\ndirect\n0.125324 0.624893 0.624893 Ba\n0.624893 0.624893 0.624893 Ba\n0.624893 0.125324 0.624893 Ba\n0.624893 0.624893 0.125324 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Hg\n",
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{
"id": "jvasp-71475",
"created_at": "2022-09-04T14:35:54.086737Z",
"updated_at": "2022-09-04T14:35:54.086766Z",
"structure_string": "Be1 Zn1 Pb1\n1.0\n1.690044 -2.927243 -0.000000\n1.690044 2.927243 0.000000\n-0.000000 0.000000 5.918475\nBe Zn Pb\n1 1 1\ndirect\n0.000000 0.000000 0.966325 Be\n0.666666 0.333332 0.726806 Zn\n0.333332 0.666666 0.306870 Pb\n",
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