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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12123",
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"results": [
{
"id": "mp-1095928",
"created_at": "2022-09-04T14:41:01.374314Z",
"structure_string": "In2 Ga1 Hg1\n1.0\n-5.766367 6.009294 8.509610\n5.766367 -6.009294 8.509610\n5.766367 6.009294 -8.509610\nIn Ga Hg\n2 1 1\ndirect\n0.000000 0.236442 0.236442 In\n0.000000 0.763558 0.763558 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:48:09.542143Z",
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"formula_full": "Na1 Cd2 Pd1",
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"updated_at": "2021-11-28T01:38:29.735000Z",
"spacegroup": 71
},
{
"id": "mp-1186872",
"created_at": "2022-09-04T14:44:18.371135Z",
"structure_string": "Rb3 Tb1\n1.0\n0.000000 5.134150 5.134150\n5.134150 0.000000 5.134150\n5.134150 5.134150 0.000000\nRb Tb\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tb\n",
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"density": 2.548035286432636,
"density_atomic": 0.01477829518100736,
"volume": 270.66721506149673,
"volume_molar": 40.749901705438134,
"formula_full": "Rb3 Tb1",
"formula_reduced": "Rb3Tb",
"formula_anonymous": "AB3",
"energy": -5.00707792,
"energy_per_atom": -1.25176948,
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"energy_uncorrected": -5.00707792,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.3546405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.832000Z",
"spacegroup": 225
},
{
"id": "mp-1026639",
"created_at": "2022-09-04T14:44:16.594452Z",
"structure_string": "Cs1 Rb1 Mg14\n1.0\n7.067559 0.000000 0.000000\n-3.533779 6.120685 0.000000\n0.000000 0.000000 10.525846\nCs Rb Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Rb\n0.173857 0.836928 0.125000 Mg\n0.174734 0.837367 0.625000 Mg\n0.663072 0.326143 0.125000 Mg\n0.662633 0.325266 0.625000 Mg\n0.663072 0.836928 0.125000 Mg\n0.662633 0.837367 0.625000 Mg\n0.355007 0.144993 0.371794 Mg\n0.355007 0.144993 0.878206 Mg\n0.355007 0.710015 0.371794 Mg\n0.355007 0.710015 0.878206 Mg\n0.789985 0.144993 0.371794 Mg\n0.789985 0.144993 0.878206 Mg\n0.833333 0.666667 0.374883 Mg\n0.833333 0.666667 0.875117 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Rb",
"Mg"
],
"chemical_system": "Cs-Mg-Rb",
"density": 2.037310253777709,
"density_atomic": 0.03513933182238252,
"volume": 455.33022884085017,
"volume_molar": 17.13789206476632,
"formula_full": "Cs1 Rb1 Mg14",
"formula_reduced": "CsRbMg14",
"formula_anonymous": "ABC14",
"energy": -20.02659671,
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"updated_at": "2021-11-28T01:36:38.250000Z",
"spacegroup": 187
},
{
"id": "mp-1097574",
"created_at": "2022-09-04T14:44:28.202268Z",
"structure_string": "Ba2 Hg1 Ge1\n1.0\n-6.462767 6.606354 9.292899\n6.462767 -6.606354 9.292899\n6.462767 6.606354 -9.292899\nBa Hg Ge\n2 1 1\ndirect\n0.000000 0.220861 0.220861 Ba\n0.000000 0.779139 0.779139 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
],
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"density": 0.5732527761637736,
"density_atomic": 0.0025203940325412145,
"volume": 1587.053432263112,
"volume_molar": 238.93647906823963,
"formula_full": "Ba2 Hg1 Ge1",
"formula_reduced": "Ba2HgGe",
"formula_anonymous": "ABC2",
"energy": -5.00219078,
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"total_magnetization": 8e-07,
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"updated_at": "2021-11-28T01:36:38.902000Z",
"spacegroup": 71
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{
"id": "mp-1187812",
"created_at": "2022-09-04T14:40:10.626770Z",
"structure_string": "Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n",
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"elements": [
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"chemical_system": "Zn",
"density": 7.2025879821277154,
"density_atomic": 0.06631350223921316,
"volume": 45.23965555578831,
"volume_molar": 9.08131912302911,
"formula_full": "Zn3",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -3.74668138,
"energy_per_atom": -1.2488937933333333,
"energy_above_hull": null,
"is_stable": null,
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"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.328000Z",
"spacegroup": 166
},
{
"id": "mp-973777",
"created_at": "2022-09-04T14:45:40.047532Z",
"structure_string": "Hg3 F1\n1.0\n4.421456 0.000000 0.000000\n0.000000 4.421456 0.000000\n0.000000 0.000000 4.421456\nHg F\n3 1\ndirect\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
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"elements": [
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"F"
],
"chemical_system": "F-Hg",
"density": 11.925669746237832,
"density_atomic": 0.04627687976625192,
"volume": 86.43625110863799,
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"formula_full": "Hg3 F1",
"formula_reduced": "Hg3F",
"formula_anonymous": "AB3",
"energy": -4.98693747,
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"decomposes_to": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.935000Z",
"spacegroup": 221
},
{
"id": "mp-974672",
"created_at": "2022-09-04T14:44:03.810082Z",
"structure_string": "Rb6 Er2\n1.0\n4.547635 -7.876734 0.000000\n4.547635 7.876734 0.000000\n0.000000 0.000000 7.399329\nRb Er\n6 2\ndirect\n0.173694 0.347387 0.250000 Rb\n0.652613 0.826306 0.250000 Rb\n0.173694 0.826306 0.250000 Rb\n0.826306 0.652613 0.750000 Rb\n0.347387 0.173694 0.750000 Rb\n0.826306 0.173694 0.750000 Rb\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
"nsites": 8,
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"elements": [
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"Er"
],
"chemical_system": "Er-Rb",
"density": 2.654268798349868,
"density_atomic": 0.015091620426134418,
"volume": 530.0954949904692,
"volume_molar": 39.903871088431,
"formula_full": "Rb6 Er2",
"formula_reduced": "Rb3Er",
"formula_anonymous": "AB3",
"energy": -9.9696865,
"energy_per_atom": -1.2462108125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:27.443000Z",
"spacegroup": 194
},
{
"id": "mp-1096181",
"created_at": "2022-09-04T14:41:10.401644Z",
"structure_string": "Ca2 Ga1 Ag1\n1.0\n-5.948416 6.313936 8.927113\n5.948416 -6.313936 8.927113\n5.948416 6.313936 -8.927113\nCa Ga Ag\n2 1 1\ndirect\n0.000000 0.247694 0.247694 Ca\n0.000000 0.752306 0.752306 Ca\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Ca-Ga",
"density": 0.3191321231457882,
"density_atomic": 0.0029825481204618226,
"volume": 1341.1351094582285,
"volume_molar": 201.9126101833865,
"formula_full": "Ca2 Ga1 Ag1",
"formula_reduced": "Ca2GaAg",
"formula_anonymous": "ABC2",
"energy": -4.98475827,
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"updated_at": "2021-11-28T01:35:10.932000Z",
"spacegroup": 71
},
{
"id": "mp-1184990",
"created_at": "2022-09-04T14:43:23.394117Z",
"structure_string": "K1 Mg3\n1.0\n0.000000 3.907692 3.907692\n3.907692 0.000000 3.907692\n3.907692 3.907692 0.000000\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"volume": 119.34135733484064,
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"formula_full": "K1 Mg3",
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"updated_at": "2021-11-28T01:36:16.794000Z",
"spacegroup": 225
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{
"id": "mp-568526",
"created_at": "2022-09-04T14:46:38.639925Z",
"structure_string": "Sr2 Hg4\n1.0\n-2.580630 3.975171 4.357406\n2.580630 -3.975171 4.357406\n2.580630 3.975171 -4.357406\nSr Hg\n2 4\ndirect\n0.790049 0.540049 0.250000 Sr\n0.209951 0.459951 0.750000 Sr\n0.211839 0.165942 0.045897 Hg\n0.379955 0.834058 0.545897 Hg\n0.620045 0.165942 0.454103 Hg\n0.788161 0.834058 0.954103 Hg\n",
"nsites": 6,
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"volume": 178.80084854711174,
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"formula_full": "Sr2 Hg4",
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"updated_at": "2021-11-28T01:37:43.307000Z",
"spacegroup": 74
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{
"id": "mp-975013",
"created_at": "2022-09-04T14:42:55.772074Z",
"structure_string": "Rb3 Dy1\n1.0\n0.000000 5.091912 5.091912\n5.091912 0.000000 5.091912\n5.091912 5.091912 0.000000\nRb Dy\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Dy\n",
"nsites": 4,
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"elements": [
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"density": 2.6344521741211633,
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"volume": 264.0417873836013,
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"formula_full": "Rb3 Dy1",
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"energy": -4.9813701,
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"updated_at": "2021-11-28T01:36:00.662000Z",
"spacegroup": 225
}
]
}