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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=149",
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"results": [
{
"id": "mp-1186132",
"created_at": "2022-09-04T14:43:01.802987Z",
"structure_string": "Na1 Ca3\n1.0\n-2.694554 2.694554 5.682124\n2.694554 -2.694554 5.682124\n2.694554 2.694554 -5.682124\nNa Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
"nsites": 4,
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"elements": [
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"density": 1.441184940080722,
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"volume": 165.02300124078727,
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"formula_full": "Na1 Ca3",
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{
"id": "mp-1097580",
"created_at": "2022-09-04T14:47:19.195016Z",
"structure_string": "Li2 Tl1 Sb1\n1.0\n-5.634010 5.897992 8.347853\n5.634010 -5.897992 8.347853\n5.634010 5.897992 -8.347853\nLi Tl Sb\n2 1 1\ndirect\n0.000000 0.241484 0.241484 Li\n0.000000 0.758516 0.758516 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li2 Tl1 Sb1",
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"updated_at": "2021-11-28T01:38:02.272000Z",
"spacegroup": 71
},
{
"id": "mp-1093663",
"created_at": "2022-09-04T14:44:19.110370Z",
"structure_string": "Li1 Ca2 Pd1\n1.0\n-5.958239 6.036064 8.530422\n5.958239 -6.036064 8.530422\n5.958239 6.036064 -8.530422\nLi Ca Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.283564 0.283564 Ca\n0.000000 0.716436 0.716436 Ca\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ca-Li-Pd",
"density": 0.261858066509314,
"density_atomic": 0.003259550605281168,
"volume": 1227.1630308543595,
"volume_molar": 184.7537126818294,
"formula_full": "Li1 Ca2 Pd1",
"formula_reduced": "LiCa2Pd",
"formula_anonymous": "ABC2",
"energy": -7.05592492,
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"energy_uncorrected": -7.05592492,
"band_gap": 0.5554999999999999,
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"updated_at": "2021-11-28T01:36:34.813000Z",
"spacegroup": 71
},
{
"id": "mp-1095869",
"created_at": "2022-09-04T14:46:16.458191Z",
"structure_string": "Sc1 Ag2 Hg1\n1.0\n-5.594694 5.855439 8.135964\n5.594694 -5.855439 8.135964\n5.594694 5.855439 -8.135964\nSc Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.242561 0.242561 Ag\n0.000000 0.757439 0.757439 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ag",
"Hg"
],
"chemical_system": "Ag-Hg-Sc",
"density": 0.71847405651264,
"density_atomic": 0.0037519339369098074,
"volume": 1066.1168526049546,
"volume_molar": 160.50764382488026,
"formula_full": "Sc1 Ag2 Hg1",
"formula_reduced": "ScAg2Hg",
"formula_anonymous": "ABC2",
"energy": -7.05677002,
"energy_per_atom": -1.764192505,
"energy_above_hull": null,
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"energy_uncorrected": -7.05677002,
"band_gap": 0.1654,
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"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.351000Z",
"spacegroup": 71
},
{
"id": "mp-684597",
"created_at": "2022-09-04T14:44:30.927296Z",
"structure_string": "In1 Sb1\n1.0\n-1.580396 2.926539 3.079436\n1.580396 -2.926539 3.079436\n1.580396 2.926539 -3.079436\nIn Sb\n1 1\ndirect\n0.500000 0.597661 0.097661 In\n0.000000 0.151513 0.151513 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "In-Sb",
"density": 6.895599694180561,
"density_atomic": 0.0351057765280955,
"volume": 56.97068111851564,
"volume_molar": 17.154273044438774,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -7.05927244,
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"energy_above_hull": null,
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"formation_energy": null,
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"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.823000Z",
"spacegroup": 44
},
{
"id": "mp-1095823",
"created_at": "2022-09-04T14:40:05.935931Z",
"structure_string": "Zn2 Ag1 Ir1\n1.0\n-4.959611 5.412778 7.653968\n4.959611 -5.412778 7.653968\n4.959611 5.412778 -7.653968\nZn Ag Ir\n2 1 1\ndirect\n0.000000 0.254340 0.254340 Zn\n0.000000 0.745660 0.745660 Zn\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Zn",
"density": 0.8705913612625363,
"density_atomic": 0.004866822733063772,
"volume": 821.8914514443209,
"volume_molar": 123.73865025096013,
"formula_full": "Zn2 Ag1 Ir1",
"formula_reduced": "Zn2AgIr",
"formula_anonymous": "ABC2",
"energy": -7.06684405,
"energy_per_atom": -1.7667110125,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -7.06684405,
"band_gap": 0.3163,
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"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.339000Z",
"spacegroup": 71
},
{
"id": "mp-1223637",
"created_at": "2022-09-04T14:41:27.760755Z",
"structure_string": "In1 Sb1\n1.0\n-2.944740 2.944740 1.636377\n2.944740 -2.944740 1.636377\n2.944740 2.944740 -1.636377\nIn Sb\n1 1\ndirect\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 6.921276258509032,
"density_atomic": 0.03523649695406299,
"volume": 56.759331173225135,
"volume_molar": 17.090634088430885,
"formula_full": "In1 Sb1",
"formula_reduced": "InSb",
"formula_anonymous": "AB",
"energy": -7.06706038,
"energy_per_atom": -3.53353019,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -6.87506038,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 2.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.145000Z",
"spacegroup": 119
},
{
"id": "mp-1093594",
"created_at": "2022-09-04T14:47:34.612834Z",
"structure_string": "Cd2 Rh1 Au1\n1.0\n-5.330328 5.495412 7.770641\n5.330328 -5.495412 7.770641\n5.330328 5.495412 -7.770641\nCd Rh Au\n2 1 1\ndirect\n0.000000 0.248731 0.248731 Cd\n0.000000 0.751269 0.751269 Cd\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Rh",
"Au"
],
"chemical_system": "Au-Cd-Rh",
"density": 0.9569389331003977,
"density_atomic": 0.004393280805959578,
"volume": 910.4812955670659,
"volume_molar": 137.0761630313009,
"formula_full": "Cd2 Rh1 Au1",
"formula_reduced": "Cd2RhAu",
"formula_anonymous": "ABC2",
"energy": -7.06797901,
"energy_per_atom": -1.7669947525,
"energy_above_hull": null,
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"energy_uncorrected": -7.06797901,
"band_gap": 0.4546000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.149000Z",
"spacegroup": 71
},
{
"id": "mp-1222648",
"created_at": "2022-09-04T14:47:27.642827Z",
"structure_string": "Li2 Mg1 Cd1\n1.0\n0.000000 3.402739 3.402739\n3.402739 0.000000 3.402739\n3.402739 3.402739 0.000000\nLi Mg Cd\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Li-Mg",
"density": 3.173601479592749,
"density_atomic": 0.050762625885752685,
"volume": 78.79813012436502,
"volume_molar": 11.86333578084306,
"formula_full": "Li2 Mg1 Cd1",
"formula_reduced": "Li2MgCd",
"formula_anonymous": "ABC2",
"energy": -7.07119523,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:11.174000Z",
"spacegroup": 216
},
{
"id": "mp-183",
"created_at": "2022-09-04T14:47:17.092602Z",
"structure_string": "Ce1 Cd1\n1.0\n3.850494 0.000000 0.000000\n0.000000 3.850494 0.000000\n0.000000 0.000000 3.850494\nCe Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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],
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"density": 7.345266608973608,
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"volume": 57.088594763736346,
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"formula_full": "Ce1 Cd1",
"formula_reduced": "CeCd",
"formula_anonymous": "AB",
"energy": -7.07480145,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:00.068000Z",
"spacegroup": 221
},
{
"id": "mp-1039454",
"created_at": "2022-09-04T14:42:46.511237Z",
"structure_string": "Ca3 Zn1\n1.0\n0.000000 3.989021 3.989021\n3.989021 0.000000 3.989021\n3.989021 3.989021 0.000000\nCa Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 2.4282797149201274,
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"volume": 126.94890627580092,
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"formula_full": "Ca3 Zn1",
"formula_reduced": "Ca3Zn",
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"energy": -7.07542353,
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"updated_at": "2021-11-28T01:35:58.481000Z",
"spacegroup": 225
},
{
"id": "mp-1079267",
"created_at": "2022-09-04T14:44:12.585565Z",
"structure_string": "Li2 Hg6\n1.0\n3.194531 -5.533091 0.000000\n3.194531 5.533091 0.000000\n0.000000 0.000000 5.251122\nLi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.830402 0.169598 0.250000 Hg\n0.830402 0.660805 0.250000 Hg\n0.339195 0.169598 0.250000 Hg\n0.169598 0.830402 0.750000 Hg\n0.169598 0.339195 0.750000 Hg\n0.660805 0.830402 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Hg-Li",
"density": 10.89013388745539,
"density_atomic": 0.043095603127373136,
"volume": 185.6337867312181,
"volume_molar": 13.973909918840196,
"formula_full": "Li2 Hg6",
"formula_reduced": "LiHg3",
"formula_anonymous": "AB3",
"energy": -7.07692322,
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"updated_at": "2021-11-28T01:36:30.420000Z",
"spacegroup": 194
}
]
}