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{
"id": "jvasp-94257",
"created_at": "2022-09-04T14:36:09.329511Z",
"updated_at": "2022-09-04T14:36:09.329536Z",
"structure_string": "Ca2 Zn6\n1.0\n6.457317 -0.000000 0.000000\n-3.228659 5.592200 -0.000000\n-0.000000 0.000000 4.434897\nCa Zn\n2 6\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750001 Ca\n0.143739 0.287478 0.250000 Zn\n0.712522 0.856261 0.250000 Zn\n0.143739 0.856261 0.250000 Zn\n0.287478 0.143739 0.750001 Zn\n0.856261 0.143739 0.750001 Zn\n0.856261 0.712522 0.750001 Zn\n",
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{
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"updated_at": "2022-09-04T14:38:05.218230Z",
"structure_string": "Er1 Mg1 Au2\n1.0\n4.206813 -0.000000 2.428805\n1.402271 3.966221 2.428805\n-0.000000 -0.000000 4.857609\nEr Mg Au\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Er\n0.000000 0.000000 0.000000 Mg\n0.749999 0.750000 0.749999 Au\n0.250000 0.250000 0.250000 Au\n",
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{
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"structure_string": "Er2 Zn1 Ag1\n1.0\n4.347528 0.000000 2.510046\n1.449176 4.098888 2.510046\n0.000000 0.000000 5.020092\nEr Zn Ag\n2 1 1\ndirect\n0.750001 0.750000 0.750000 Er\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500000 0.500000 Ag\n",
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{
"id": "jvasp-110373",
"created_at": "2022-09-04T14:38:37.610722Z",
"updated_at": "2022-09-04T14:38:37.610756Z",
"structure_string": "Na2 Li1 Ir1 F6\n1.0\n4.847764 0.000000 2.798858\n1.615921 4.570516 2.798858\n-0.000000 -0.000000 5.597716\nNa Li Ir F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ir\n0.745260 0.254740 0.254740 F\n0.254739 0.254740 0.745261 F\n0.254739 0.745261 0.745261 F\n0.254739 0.745261 0.254740 F\n0.745260 0.254740 0.745261 F\n0.745259 0.745261 0.254741 F\n",
"nsites": 10,
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"elements": [
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"density": 4.80818035476022,
"density_atomic": 0.080627359358053,
"volume": 124.02737829465089,
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"formula_full": "Na2 Li1 Ir1 F6",
"formula_reduced": "Na2LiIrF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-76238",
"created_at": "2022-09-04T14:36:32.557614Z",
"updated_at": "2022-09-04T14:36:32.557632Z",
"structure_string": "Yb10 Au6\n1.0\n6.939461 0.000000 -3.327851\n-1.595887 6.753464 -3.327852\n-0.033011 -0.041720 8.830407\nYb Au\n10 6\ndirect\n0.022946 0.522946 0.712065 Yb\n0.477054 0.310880 0.287935 Yb\n0.977054 0.477054 0.287935 Yb\n0.189120 0.022946 0.712065 Yb\n0.689120 0.189120 0.712065 Yb\n0.522946 0.689119 0.712065 Yb\n0.500000 0.500000 -0.000000 Yb\n0.810880 0.977053 0.287935 Yb\n0.310880 0.810880 0.287935 Yb\n0.000000 0.000000 0.000000 Yb\n0.865045 0.634954 -0.000000 Au\n0.250000 0.250000 0.500000 Au\n0.134954 0.365045 -0.000000 Au\n0.634954 0.134954 0.000000 Au\n0.365045 0.865045 -0.000000 Au\n0.750000 0.750000 0.500000 Au\n",
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{
"id": "jvasp-120266",
"created_at": "2022-09-04T14:38:46.596294Z",
"updated_at": "2022-09-04T14:38:46.596320Z",
"structure_string": "In2 I2 O2\n1.0\n1.930619 1.114643 10.381716\n-1.930619 1.114643 10.381716\n0.000000 -2.229286 10.381716\nIn I O\n2 2 2\ndirect\n0.289604 0.289604 0.289604 In\n0.710396 0.710396 0.710396 In\n0.111339 0.111339 0.111339 I\n0.888662 0.888662 0.888662 I\n0.360576 0.360576 0.360576 O\n0.639424 0.639424 0.639424 O\n",
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"elements": [
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"volume": 134.04566190320134,
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},
{
"id": "jvasp-80085",
"created_at": "2022-09-04T14:36:50.686915Z",
"updated_at": "2022-09-04T14:36:50.686941Z",
"structure_string": "La1 Zn1 Au2\n1.0\n0.000000 3.550768 3.550768\n3.550768 0.000000 3.550768\n3.550768 3.550768 0.000000\nLa Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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"volume": 89.53583488415718,
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"formula_full": "La1 Zn1 Au2",
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"spacegroup": 225
},
{
"id": "jvasp-41411",
"created_at": "2022-09-04T14:38:07.184615Z",
"updated_at": "2022-09-04T14:38:07.184641Z",
"structure_string": "Tm1 Mg1 Au2\n1.0\n0.000000 3.422310 3.422310\n3.422310 0.000000 3.422310\n3.422310 3.422310 0.000000\nTm Mg Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 80.16559762542478,
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"formula_full": "Tm1 Mg1 Au2",
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},
{
"id": "jvasp-20248",
"created_at": "2022-09-04T14:37:44.784550Z",
"updated_at": "2022-09-04T14:37:44.784580Z",
"structure_string": "Ba4 Mg8\n1.0\n3.321968 -5.753818 0.000000\n3.321968 5.753818 0.000000\n-0.000000 -0.000000 10.508507\nBa Mg\n4 8\ndirect\n0.333333 0.666667 0.556619 Ba\n0.666667 0.333333 0.056619 Ba\n0.666667 0.333333 0.443381 Ba\n0.333333 0.666667 0.943381 Ba\n0.161847 0.838153 0.250000 Mg\n0.838154 0.676307 0.750000 Mg\n0.323694 0.161847 0.750000 Mg\n0.676307 0.838154 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.838153 0.161847 0.750000 Mg\n0.161847 0.323694 0.250000 Mg\n",
"nsites": 12,
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{
"id": "jvasp-99872",
"created_at": "2022-09-04T14:36:34.075800Z",
"updated_at": "2022-09-04T14:36:34.075821Z",
"structure_string": "Nd3 Mg3 Au3\n1.0\n7.749006 -0.000000 -0.000000\n-3.874502 6.710837 0.000000\n0.000000 -0.000000 4.182462\nNd Mg Au\n3 3 3\ndirect\n0.587304 0.000000 0.000000 Nd\n0.000000 0.587304 0.000000 Nd\n0.412696 0.412696 0.000000 Nd\n0.241858 0.000000 0.500000 Mg\n0.000000 0.241858 0.500000 Mg\n0.758143 0.758143 0.500000 Mg\n0.333334 0.666667 0.500000 Au\n0.666668 0.333333 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-118691",
"created_at": "2022-09-04T14:38:52.821330Z",
"updated_at": "2022-09-04T14:38:52.821366Z",
"structure_string": "Mg1 Cl2\n1.0\n6.570375 0.000000 0.000000\n0.000000 3.453850 0.000000\n0.000000 0.000000 3.829263\nMg Cl\n1 2\ndirect\n0.000000 0.450669 0.000000 Mg\n0.248122 -0.049335 0.000000 Cl\n0.751877 -0.049335 0.000000 Cl\n",
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{
"id": "jvasp-25009",
"created_at": "2022-09-04T14:37:50.259882Z",
"updated_at": "2022-09-04T14:37:50.259906Z",
"structure_string": "Sr2 Cr2 F8\n1.0\n5.205065 0.000000 -2.399573\n-1.106221 5.086156 -2.399573\n-0.027280 -0.033850 6.785930\nSr Cr F\n2 2 8\ndirect\n0.750001 0.750001 0.500001 Sr\n0.250000 0.250000 0.500000 Sr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.952109 0.452108 0.252776 F\n0.699334 0.199333 0.747226 F\n0.047893 0.547893 0.747226 F\n0.199333 0.047892 0.747226 F\n0.300667 0.800668 0.252775 F\n0.452108 0.300667 0.252775 F\n0.800668 0.952109 0.252776 F\n0.547893 0.699334 0.747227 F\n",
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