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{
"id": "mp-976031",
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"structure_string": "Na1 Ac1\n1.0\n1.941800 -3.363296 0.000000\n1.941800 3.363296 0.000000\n0.000000 0.000000 6.517857\nNa Ac\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333333 0.666667 0.500000 Ac\n",
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{
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{
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"structure_string": "Br1 O1\n1.0\n2.726092 -1.853757 0.000000\n2.726092 1.853757 0.000000\n1.465527 0.000000 2.953002\nBr O\n1 1\ndirect\n0.500000 0.500000 0.500000 Br\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 166
},
{
"id": "mp-1186089",
"created_at": "2022-09-04T14:41:19.685615Z",
"structure_string": "Na3 Yb1\n1.0\n0.000000 4.250866 4.250866\n4.250866 0.000000 4.250866\n4.250866 4.250866 0.000000\nNa Yb\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Yb\n",
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"formula_full": "Na3 Yb1",
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"spacegroup": 225
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{
"id": "mp-975015",
"created_at": "2022-09-04T14:45:55.293943Z",
"structure_string": "Rb3 Ga1\n1.0\n-3.134327 3.134327 5.635995\n3.134327 -3.134327 5.635995\n3.134327 3.134327 -5.635995\nRb Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Rb3 Ga1",
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{
"id": "mp-1097393",
"created_at": "2022-09-04T14:44:15.831169Z",
"structure_string": "Mg2 Cd1 Rh1\n1.0\n-5.614682 6.388539 9.283333\n5.614682 -6.388539 9.283333\n5.614682 6.388539 -9.283333\nMg Cd Rh\n2 1 1\ndirect\n0.000000 0.223293 0.223293 Mg\n0.000000 0.776707 0.776707 Mg\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
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"elements": [
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"volume": 1331.9583198929192,
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"formula_full": "Mg2 Cd1 Rh1",
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"updated_at": "2021-11-28T01:36:36.580000Z",
"spacegroup": 71
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{
"id": "mp-22919",
"created_at": "2022-09-04T14:48:08.447774Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.084500 3.084500\n3.084500 0.000000 3.084500\n3.084500 3.084500 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
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"elements": [
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"density": 6.6422056414720885,
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"volume": 58.69273120224999,
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"formula_full": "Ag1 I1",
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"energy": -5.112435120000001,
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"updated_at": "2021-11-28T01:38:27.276000Z",
"spacegroup": 225
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{
"id": "mp-1093582",
"created_at": "2022-09-04T14:48:20.475609Z",
"structure_string": "Ba2 Cd1 Ge1\n1.0\n-6.775685 6.975361 9.852347\n6.775685 -6.975361 9.852347\n6.775685 6.975361 -9.852347\nBa Cd Ge\n2 1 1\ndirect\n0.000000 0.216915 0.216915 Ba\n0.000000 0.783085 0.783085 Ba\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"density": 0.4098347106356397,
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"volume": 1862.5999501784768,
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"formula_full": "Ba2 Cd1 Ge1",
"formula_reduced": "Ba2CdGe",
"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
"id": "mp-1096593",
"created_at": "2022-09-04T14:45:19.777629Z",
"structure_string": "La1 Y1 Hg2\n1.0\n-6.140412 6.351773 8.983111\n6.140412 -6.351773 8.983111\n6.140412 6.351773 -8.983111\nLa Y Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.246129 0.246129 Hg\n0.000000 0.753871 0.753871 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.7452714966998385,
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"volume": 1401.4552603143024,
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"formula_full": "La1 Y1 Hg2",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
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{
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"structure_string": "Si1\n1.0\n1.324762 -2.294556 0.000000\n1.324762 2.294556 0.000000\n0.000000 0.000000 2.476905\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:41:06.994280Z",
"structure_string": "K2 Hg4\n1.0\n-2.649394 4.117988 4.720714\n2.649394 -4.117988 4.720714\n2.649394 4.117988 -4.720714\nK Hg\n2 4\ndirect\n0.700862 0.950862 0.750000 K\n0.299138 0.049138 0.250000 K\n0.282874 0.336990 0.945883 Hg\n0.717126 0.663010 0.054117 Hg\n0.891107 0.336990 0.554117 Hg\n0.108893 0.663010 0.445883 Hg\n",
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{
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"created_at": "2022-09-04T14:48:04.025214Z",
"structure_string": "Sr1 Ca1 Ag2\n1.0\n-6.171157 6.543149 9.253444\n6.171157 -6.543149 9.253444\n6.171157 6.543149 -9.253444\nSr Ca Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.000000 0.242091 0.242091 Ag\n0.000000 0.757909 0.757909 Ag\n",
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"formula_full": "Sr1 Ca1 Ag2",
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"updated_at": "2021-11-28T01:38:27.005000Z",
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]
}