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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4034",
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{
"id": "jvasp-116356",
"created_at": "2022-09-04T14:38:47.324968Z",
"updated_at": "2022-09-04T14:38:47.324991Z",
"structure_string": "Na1 Hg1\n1.0\n4.333323 0.000000 0.000000\n0.000000 4.333323 -0.000000\n0.000000 0.000000 3.177569\nNa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Hg\n",
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"elements": [
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"density": 6.222207461228921,
"density_atomic": 0.033519141112866246,
"volume": 59.667399986937745,
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"formula_full": "Na1 Hg1",
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{
"id": "jvasp-107467",
"created_at": "2022-09-04T14:36:59.702992Z",
"updated_at": "2022-09-04T14:36:59.703011Z",
"structure_string": "Na2 Hg6\n1.0\n6.692038 0.000000 0.000000\n-3.346019 5.795475 0.000000\n0.000000 -0.000000 5.225918\nNa Hg\n2 6\ndirect\n0.666667 0.333334 0.250000 Na\n0.333334 0.666667 0.750000 Na\n0.832301 0.167700 0.750000 Hg\n0.335399 0.167700 0.750000 Hg\n0.832301 0.664602 0.750000 Hg\n0.167700 0.832301 0.250000 Hg\n0.664601 0.832301 0.250000 Hg\n0.167700 0.335399 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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"density": 10.237222037934234,
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"formula_full": "Na2 Hg6",
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"spacegroup": 194
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{
"id": "jvasp-101004",
"created_at": "2022-09-04T14:36:39.082050Z",
"updated_at": "2022-09-04T14:36:39.082064Z",
"structure_string": "Na1 Hg3\n1.0\n4.543432 -0.000000 2.623151\n1.514477 4.283588 2.623151\n0.000000 0.000000 5.246303\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.749999 Hg\n0.500000 0.500000 0.499999 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Na",
"density": 10.160546269930283,
"density_atomic": 0.03917553137435493,
"volume": 102.10454994921852,
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"formula_full": "Na1 Hg3",
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"spacegroup": 225
},
{
"id": "jvasp-16550",
"created_at": "2022-09-04T14:38:15.281306Z",
"updated_at": "2022-09-04T14:38:15.281337Z",
"structure_string": "Na1 Hg2\n1.0\n2.576506 -4.462640 -0.000000\n2.576506 4.462640 -0.000000\n-0.000000 -0.000000 3.276846\nNa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.500001 Hg\n0.333334 0.666668 0.500001 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Na",
"Hg"
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"chemical_system": "Hg-Na",
"density": 9.34716203210991,
"density_atomic": 0.03981183683520954,
"volume": 75.35447340492473,
"volume_molar": 15.126508191337773,
"formula_full": "Na1 Hg2",
"formula_reduced": "NaHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1583480952380952,
"spacegroup": 191
},
{
"id": "jvasp-116354",
"created_at": "2022-09-04T14:38:52.491658Z",
"updated_at": "2022-09-04T14:38:52.491690Z",
"structure_string": "Na1 Hg1\n1.0\n5.206188 -0.000000 -0.000000\n-2.603094 4.508691 0.000000\n0.000000 0.000000 3.174534\nNa Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.333334 0.666667 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 4.982316347781379,
"density_atomic": 0.026839825860971916,
"volume": 74.51613174987926,
"volume_molar": 22.4373317144239,
"formula_full": "Na1 Hg1",
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"energy_above_hull": 0.5407242857142858,
"spacegroup": 187
},
{
"id": "jvasp-18527",
"created_at": "2022-09-04T14:36:44.059359Z",
"updated_at": "2022-09-04T14:36:44.059386Z",
"structure_string": "Na3 Hg1\n1.0\n4.648785 -0.020131 2.716549\n1.549351 4.383049 2.716549\n-0.028599 -0.020131 5.384239\nNa Hg\n3 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250001 0.250001 0.250001 Na\n0.749999 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
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"chemical_system": "Hg-Na",
"density": 4.054914049776729,
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"volume": 110.38797763385935,
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"formula_full": "Na3 Hg1",
"formula_reduced": "Na3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0059825,
"spacegroup": 225
},
{
"id": "jvasp-104861",
"created_at": "2022-09-04T14:36:54.488427Z",
"updated_at": "2022-09-04T14:36:54.488455Z",
"structure_string": "Na1 Hg3\n1.0\n4.683587 -0.000000 0.000000\n0.000000 4.683587 0.000000\n0.000000 -0.000000 4.683587\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n-0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"density": 10.09779100172646,
"density_atomic": 0.03893356889388272,
"volume": 102.73910441918115,
"volume_molar": 15.467733709216173,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0029475,
"spacegroup": 221
},
{
"id": "jvasp-116355",
"created_at": "2022-09-04T14:38:30.921371Z",
"updated_at": "2022-09-04T14:38:30.921392Z",
"structure_string": "Na1 Hg1\n1.0\n3.253618 0.000000 0.000000\n0.000000 3.253618 0.000000\n0.000000 0.000000 6.016929\nNa Hg\n1 1\ndirect\n0.000000 0.000000 0.749986 Na\n0.000000 0.000000 0.250014 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 5.828725328165429,
"density_atomic": 0.031399445936238064,
"volume": 63.69539144293633,
"volume_molar": 19.179130651633105,
"formula_full": "Na1 Hg1",
"formula_reduced": "NaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.5224392857142858,
"spacegroup": 123
},
{
"id": "jvasp-109570",
"created_at": "2022-09-04T14:38:17.752338Z",
"updated_at": "2022-09-04T14:38:17.752370Z",
"structure_string": "Na3 Hg1\n1.0\n4.298883 -0.360720 -3.652774\n-1.152069 4.157313 -3.652774\n0.298984 0.360720 5.633273\nNa Hg\n3 1\ndirect\n0.749999 0.250000 0.500000 Na\n0.249999 0.749999 0.500000 Na\n0.499999 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Hg"
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"density": 4.052553896083857,
"density_atomic": 0.036214739092034126,
"volume": 110.45226612939616,
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"formula_full": "Na3 Hg1",
"formula_reduced": "Na3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-97337",
"created_at": "2022-09-04T14:35:47.570958Z",
"updated_at": "2022-09-04T14:35:47.570993Z",
"structure_string": "Na12 Hg8\n1.0\n7.745991 0.000000 0.000000\n0.000000 8.449348 0.000000\n0.000000 0.000000 8.449348\nNa Hg\n12 8\ndirect\n0.750000 0.500000 0.000000 Na\n0.000000 0.697478 0.302522 Na\n0.500000 0.197478 0.197478 Na\n0.000000 0.302522 0.697478 Na\n0.000000 0.140497 0.140497 Na\n0.500000 0.359503 0.640497 Na\n0.500000 0.802522 0.802522 Na\n0.000000 0.859503 0.859503 Na\n0.250000 0.000000 0.500000 Na\n0.750000 0.000000 0.500000 Na\n0.250000 0.500000 0.000000 Na\n0.500000 0.640497 0.359503 Na\n0.698620 0.130498 0.869502 Hg\n0.801380 0.630498 0.630498 Hg\n0.801380 0.369502 0.369502 Hg\n0.301380 0.130498 0.869502 Hg\n0.301380 0.869502 0.130498 Hg\n0.198620 0.630498 0.630498 Hg\n0.698620 0.869502 0.130498 Hg\n0.198620 0.369502 0.369502 Hg\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
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"density": 5.647048355742262,
"density_atomic": 0.03616651085247577,
"volume": 552.9977741447211,
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"formula_full": "Na12 Hg8",
"formula_reduced": "Na3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-14880",
"created_at": "2022-09-04T14:35:57.462983Z",
"updated_at": "2022-09-04T14:35:57.463009Z",
"structure_string": "Na4 Hg4\n1.0\n5.276650 0.000000 0.000000\n-0.000000 5.949696 -2.450703\n-0.000000 0.028910 6.434594\nNa Hg\n4 4\ndirect\n0.250000 0.160370 0.839630 Na\n0.750000 0.839631 0.160370 Na\n0.250000 0.629487 0.370514 Na\n0.750000 0.370514 0.629486 Na\n0.750000 0.874961 0.673450 Hg\n0.250000 0.125040 0.326549 Hg\n0.250000 0.673450 0.874960 Hg\n0.750000 0.326550 0.125040 Hg\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.03952872362712618,
"volume": 202.38447553894918,
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"formula_full": "Na4 Hg4",
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"energy_above_hull": 0.3959892857142857,
"spacegroup": 63
},
{
"id": "jvasp-123750",
"created_at": "2022-09-04T14:38:55.438148Z",
"updated_at": "2022-09-04T14:38:55.438164Z",
"structure_string": "Na1 Hf1\n1.0\n1.509280 -2.614149 0.000000\n1.509280 2.614149 -0.000000\n-0.000000 0.000000 6.123673\nNa Hf\n1 1\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Hf\n",
"nsites": 2,
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"elements": [
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"density": 6.923702525632517,
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"volume": 48.32169302196158,
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"formula_full": "Na1 Hf1",
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"energy_above_hull": null,
"spacegroup": 187
}
]
}