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{
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{
"id": "mp-1095846",
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"structure_string": "Ba2 Na1 Pb1\n1.0\n-7.024843 7.095905 10.181357\n7.024843 -7.095905 10.181357\n7.024843 7.095905 -10.181357\nBa Na Pb\n2 1 1\ndirect\n0.000000 0.270269 0.270269 Ba\n0.000000 0.729731 0.729731 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Pb\n",
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{
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"spacegroup": 71
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{
"id": "mp-865742",
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"structure_string": "Yb1 Cd1 Hg2\n1.0\n0.000000 3.634548 3.634548\n3.634548 0.000000 3.634548\n3.634548 3.634548 0.000000\nYb Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
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"formula_full": "Yb1 Cd1 Hg2",
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"updated_at": "2021-11-28T01:38:48.383000Z",
"spacegroup": 225
},
{
"id": "mp-631525",
"created_at": "2022-09-04T14:43:21.677977Z",
"structure_string": "K1 Hg2 B1\n1.0\n0.000000 3.647893 3.647893\n3.647893 0.000000 3.647893\n3.647893 3.647893 0.000000\nK Hg B\n1 2 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Hg\n0.500000 0.500000 0.500000 B\n",
"nsites": 4,
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"elements": [
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"density": 7.715345058044194,
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"volume": 97.08592416022525,
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"formula_full": "K1 Hg2 B1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:16.049000Z",
"spacegroup": 216
},
{
"id": "mp-1094617",
"created_at": "2022-09-04T14:44:05.941336Z",
"structure_string": "Mg1 Ga1\n1.0\n4.813083 -1.554695 0.000000\n4.813083 1.554695 0.000000\n4.310894 0.000000 2.645569\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
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"elements": [
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"density": 3.943561831849944,
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"formula_full": "Mg1 Ga1",
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"updated_at": "2021-11-28T01:36:23.834000Z",
"spacegroup": 166
},
{
"id": "mp-30373",
"created_at": "2022-09-04T14:48:01.960890Z",
"structure_string": "Rb1 Au1\n1.0\n4.202031 0.000000 0.000000\n0.000000 4.202031 0.000000\n0.000000 0.000000 4.202031\nRb Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
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"elements": [
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"volume": 74.19553250288638,
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"formula_full": "Rb1 Au1",
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"updated_at": "2021-11-28T01:38:22.085000Z",
"spacegroup": 221
},
{
"id": "mp-10023",
"created_at": "2022-09-04T14:45:15.106703Z",
"structure_string": "La1\n1.0\n-2.111814 2.111814 2.111814\n2.111814 -2.111814 2.111814\n2.111814 2.111814 -2.111814\nLa\n1\ndirect\n0.000000 0.000000 0.000000 La\n",
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"elements": [
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"volume": 37.67272065456727,
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"formula_full": "La1",
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"formula_anonymous": "A",
"energy": -4.80249767,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:58.084000Z",
"spacegroup": 229
},
{
"id": "mp-1186050",
"created_at": "2022-09-04T14:46:51.889045Z",
"structure_string": "Na3 Hg1\n1.0\n-2.410195 2.410195 5.049740\n2.410195 -2.410195 5.049740\n2.410195 2.410195 -5.049740\nNa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 3.814784931806106,
"density_atomic": 0.03408997006334265,
"volume": 117.33656534656943,
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"formula_full": "Na3 Hg1",
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"energy": -4.81049717,
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"updated_at": "2021-11-28T01:37:44.589000Z",
"spacegroup": 139
},
{
"id": "mp-1096269",
"created_at": "2022-09-04T14:46:21.542562Z",
"structure_string": "Li1 Y1 Zn2\n1.0\n-5.587028 5.922853 8.361257\n5.587028 -5.922853 8.361257\n5.587028 5.922853 -8.361257\nLi Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Y\n0.000000 0.237274 0.237274 Zn\n0.000000 0.762726 0.762726 Zn\n",
"nsites": 4,
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"elements": [
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"Y",
"Zn"
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"density_atomic": 0.003614236983478746,
"volume": 1106.7342895013908,
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"formula_full": "Li1 Y1 Zn2",
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"spacegroup": 71
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{
"id": "mp-1094850",
"created_at": "2022-09-04T14:42:20.499171Z",
"structure_string": "Mg1 Ga1\n1.0\n1.569364 -2.718217 0.000000\n1.569364 2.718217 0.000000\n0.000000 0.000000 4.687775\nMg Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 2,
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"volume": 39.99489532943469,
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"formula_full": "Mg1 Ga1",
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"updated_at": "2021-11-28T01:35:45.115000Z",
"spacegroup": 187
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{
"id": "mp-29551",
"created_at": "2022-09-04T14:42:11.588466Z",
"structure_string": "Na3 Hg1\n1.0\n0.000000 3.875865 3.875865\n3.875865 0.000000 3.875865\n3.875865 3.875865 0.000000\nNa Hg\n3 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Hg\n",
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"elements": [
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"volume": 116.44904224127569,
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"formula_full": "Na3 Hg1",
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{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"volume": 1486.462651389445,
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"formula_full": "Na2 Tl1 Pb1",
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"updated_at": "2021-11-28T01:34:32.206000Z",
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}
]
}