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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=99",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=97",
"results": [
{
"id": "mp-977194",
"created_at": "2022-09-04T14:46:24.909079Z",
"structure_string": "Na3 Be1\n1.0\n-2.334279 2.334279 4.736736\n2.334279 -2.334279 4.736736\n2.334279 2.334279 -4.736736\nNa Be\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 Be\n",
"nsites": 4,
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"elements": [
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"Be"
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"chemical_system": "Be-Na",
"density": 1.254284132301364,
"density_atomic": 0.03874496686770969,
"volume": 103.23921591306423,
"volume_molar": 15.54302725451262,
"formula_full": "Na3 Be1",
"formula_reduced": "Na3Be",
"formula_anonymous": "AB3",
"energy": -5.6396148,
"energy_per_atom": -1.4099037,
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"updated_at": "2021-11-28T01:37:34.950000Z",
"spacegroup": 139
},
{
"id": "mp-1093552",
"created_at": "2022-09-04T14:47:00.838446Z",
"structure_string": "Mg2 Cd1 Pt1\n1.0\n-5.229674 5.918513 8.344034\n5.229674 -5.918513 8.344034\n5.229674 5.918513 -8.344034\nMg Cd Pt\n2 1 1\ndirect\n0.000000 0.268892 0.268892 Mg\n0.000000 0.731108 0.731108 Mg\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cd",
"Pt"
],
"chemical_system": "Cd-Mg-Pt",
"density": 0.572405620485158,
"density_atomic": 0.0038720121532334643,
"volume": 1033.05460874126,
"volume_molar": 155.53000666516485,
"formula_full": "Mg2 Cd1 Pt1",
"formula_reduced": "Mg2CdPt",
"formula_anonymous": "ABC2",
"energy": -5.63971305,
"energy_per_atom": -1.4099282625,
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"energy_uncorrected": -5.63971305,
"band_gap": 0.0735999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.411000Z",
"spacegroup": 71
},
{
"id": "mp-1094478",
"created_at": "2022-09-04T14:46:33.990953Z",
"structure_string": "Mg2 Zn6\n1.0\n2.857983 -4.950172 0.000000\n2.857983 4.950172 0.000000\n0.000000 0.000000 4.611586\nMg Zn\n2 6\ndirect\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n0.678146 0.839073 0.750000 Zn\n0.160927 0.321854 0.750000 Zn\n0.160927 0.839073 0.750000 Zn\n0.839073 0.678146 0.250000 Zn\n0.839073 0.160927 0.250000 Zn\n0.321854 0.160927 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.612940920152938,
"density_atomic": 0.061309778735795496,
"volume": 130.48489433430672,
"volume_molar": 9.822480009186519,
"formula_full": "Mg2 Zn6",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -11.28228419,
"energy_per_atom": -1.41028552375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -11.28228419,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.787000Z",
"spacegroup": 194
},
{
"id": "mp-974641",
"created_at": "2022-09-04T14:43:59.212240Z",
"structure_string": "K3 Tl1\n1.0\n0.000000 4.675046 4.675046\n4.675046 0.000000 4.675046\n4.675046 4.675046 0.000000\nK Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 2.613864475358456,
"density_atomic": 0.019573673072793802,
"volume": 204.356125961854,
"volume_molar": 30.76653389276438,
"formula_full": "K3 Tl1",
"formula_reduced": "K3Tl",
"formula_anonymous": "AB3",
"energy": -5.64670236,
"energy_per_atom": -1.41167559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.64670236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.08733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.508000Z",
"spacegroup": 225
},
{
"id": "mp-1097424",
"created_at": "2022-09-04T14:46:25.142375Z",
"structure_string": "Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Ag"
],
"chemical_system": "Ag-Y-Zn",
"density": 0.49081484491384736,
"density_atomic": 0.003609069370505426,
"volume": 1108.3189568727594,
"volume_molar": 166.86131913160315,
"formula_full": "Y1 Zn2 Ag1",
"formula_reduced": "YZn2Ag",
"formula_anonymous": "ABC2",
"energy": -5.64694633,
"energy_per_atom": -1.4117365825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.64694633,
"band_gap": 0.3673000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.109000Z",
"spacegroup": 71
},
{
"id": "mp-1185125",
"created_at": "2022-09-04T14:47:10.200189Z",
"structure_string": "K6 Tb2\n1.0\n4.319209 -7.481089 0.000000\n4.319209 7.481089 0.000000\n0.000000 0.000000 7.109837\nK Tb\n6 2\ndirect\n0.171336 0.342672 0.250000 K\n0.657328 0.828664 0.250000 K\n0.171336 0.828664 0.250000 K\n0.828664 0.657328 0.750000 K\n0.342672 0.171336 0.750000 K\n0.828664 0.171336 0.750000 K\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Tb"
],
"chemical_system": "K-Tb",
"density": 1.996530395771476,
"density_atomic": 0.01741130431836096,
"volume": 459.4716084287642,
"volume_molar": 34.58753376477026,
"formula_full": "K6 Tb2",
"formula_reduced": "K3Tb",
"formula_anonymous": "AB3",
"energy": -11.29723044,
"energy_per_atom": -1.412153805,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -11.29723044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8226896,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.709000Z",
"spacegroup": 194
},
{
"id": "mp-1186204",
"created_at": "2022-09-04T14:39:44.568498Z",
"structure_string": "Na2 Yb6\n1.0\n3.845992 -6.661454 0.000000\n3.845992 6.661454 0.000000\n0.000000 0.000000 6.301992\nNa Yb\n2 6\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.669153 0.834576 0.250000 Yb\n0.165424 0.834576 0.250000 Yb\n0.834576 0.669153 0.750000 Yb\n0.330847 0.165424 0.750000 Yb\n0.834576 0.165424 0.750000 Yb\n0.165424 0.330847 0.250000 Yb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Yb"
],
"chemical_system": "Na-Yb",
"density": 5.575464742910444,
"density_atomic": 0.0247744906279193,
"volume": 322.9127944606256,
"volume_molar": 24.307828768085447,
"formula_full": "Na2 Yb6",
"formula_reduced": "NaYb3",
"formula_anonymous": "AB3",
"energy": -11.30768116,
"energy_per_atom": -1.413460145,
"energy_above_hull": null,
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"energy_uncorrected": -11.30768116,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0155555,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.506000Z",
"spacegroup": 194
},
{
"id": "mp-865814",
"created_at": "2022-09-04T14:41:07.922965Z",
"structure_string": "Yb1 Mg1 Hg2\n1.0\n0.000000 3.614938 3.614938\n3.614938 0.000000 3.614938\n3.614938 3.614938 0.000000\nYb Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Yb",
"density": 10.519590588603611,
"density_atomic": 0.042337717077171225,
"volume": 94.47840545367588,
"volume_molar": 14.224056410559694,
"formula_full": "Yb1 Mg1 Hg2",
"formula_reduced": "YbMgHg2",
"formula_anonymous": "ABC2",
"energy": -5.65390588,
"energy_per_atom": -1.41347647,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.65390588,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0035591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.766000Z",
"spacegroup": 225
},
{
"id": "mp-1204969",
"created_at": "2022-09-04T14:47:02.830868Z",
"structure_string": "Sm22 Hg90\n1.0\n0.000000 11.101028 11.101028\n11.101028 0.000000 11.101028\n11.101028 11.101028 0.000000\nSm Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 Sm\n0.015560 0.330804 0.638076 Sm\n0.015560 0.015560 0.638076 Sm\n0.330804 0.015560 0.638076 Sm\n0.015560 0.638076 0.330804 Sm\n0.330804 0.638076 0.015560 Sm\n0.015560 0.638076 0.015560 Sm\n0.638076 0.015560 0.015560 Sm\n0.638076 0.330804 0.015560 Sm\n0.638076 0.015560 0.330804 Sm\n0.330804 0.015560 0.015560 Sm\n0.015560 0.015560 0.330804 Sm\n0.015560 0.330804 0.015560 Sm\n0.250000 0.250000 0.250000 Sm\n0.405694 0.405694 0.782917 Sm\n0.405694 0.782917 0.405694 Sm\n0.782917 0.405694 0.405694 Sm\n0.405694 0.405694 0.405694 Sm\n0.662446 0.662446 0.012661 Sm\n0.662446 0.012661 0.662446 Sm\n0.012661 0.662446 0.662446 Sm\n0.662446 0.662446 0.662446 Sm\n0.083020 0.083020 0.750941 Hg\n0.083020 0.750941 0.083020 Hg\n0.750941 0.083020 0.083020 Hg\n0.083020 0.083020 0.083020 Hg\n0.914710 0.914710 0.255871 Hg\n0.914710 0.255871 0.914710 Hg\n0.255871 0.914710 0.914710 Hg\n0.914710 0.914710 0.914710 Hg\n0.152502 0.152502 0.847498 Hg\n0.847498 0.152502 0.847498 Hg\n0.152502 0.847498 0.847498 Hg\n0.847498 0.847498 0.152502 Hg\n0.152502 0.847498 0.152502 Hg\n0.847498 0.152502 0.152502 Hg\n0.392137 0.199523 0.016203 Hg\n0.392137 0.392137 0.016203 Hg\n0.199523 0.392137 0.016203 Hg\n0.392137 0.016203 0.199523 Hg\n0.199523 0.016203 0.392137 Hg\n0.392137 0.016203 0.392137 Hg\n0.016203 0.392137 0.392137 Hg\n0.016203 0.199523 0.392137 Hg\n0.016203 0.392137 0.199523 Hg\n0.199523 0.392137 0.392137 Hg\n0.392137 0.392137 0.199523 Hg\n0.392137 0.199523 0.392137 Hg\n0.161792 0.161792 0.514623 Hg\n0.161792 0.514623 0.161792 Hg\n0.514623 0.161792 0.161792 Hg\n0.161792 0.161792 0.161792 Hg\n0.258607 0.611488 0.871298 Hg\n0.258607 0.258607 0.871298 Hg\n0.611488 0.258607 0.871298 Hg\n0.258607 0.871298 0.611488 Hg\n0.611488 0.871298 0.258607 Hg\n0.258607 0.871298 0.258607 Hg\n0.871298 0.258607 0.258607 Hg\n0.871298 0.611488 0.258607 Hg\n0.871298 0.258607 0.611488 Hg\n0.611488 0.258607 0.258607 Hg\n0.258607 0.258607 0.611488 Hg\n0.258607 0.611488 0.258607 Hg\n0.500000 0.500000 0.500000 Hg\n0.643157 0.448032 0.265655 Hg\n0.643157 0.643157 0.265655 Hg\n0.448032 0.643157 0.265655 Hg\n0.643157 0.265655 0.448032 Hg\n0.448032 0.265655 0.643157 Hg\n0.643157 0.265655 0.643157 Hg\n0.265655 0.643157 0.643157 Hg\n0.265655 0.448032 0.643157 Hg\n0.265655 0.643157 0.448032 Hg\n0.448032 0.643157 0.643157 Hg\n0.643157 0.643157 0.448032 Hg\n0.643157 0.448032 0.643157 Hg\n0.512861 0.836336 0.137942 Hg\n0.512861 0.512861 0.137942 Hg\n0.836336 0.512861 0.137942 Hg\n0.512861 0.137942 0.836336 Hg\n0.836336 0.137942 0.512861 Hg\n0.512861 0.137942 0.512861 Hg\n0.137942 0.512861 0.512861 Hg\n0.137942 0.836336 0.512861 Hg\n0.137942 0.512861 0.836336 Hg\n0.836336 0.512861 0.512861 Hg\n0.512861 0.512861 0.836336 Hg\n0.512861 0.836336 0.512861 Hg\n0.750000 0.750000 0.750000 Hg\n0.827112 0.827112 0.518665 Hg\n0.827112 0.518665 0.827112 Hg\n0.518665 0.827112 0.827112 Hg\n0.827112 0.827112 0.827112 Hg\n0.911851 0.911851 0.588149 Hg\n0.588149 0.911851 0.588149 Hg\n0.911851 0.588149 0.588149 Hg\n0.588149 0.588149 0.911851 Hg\n0.911851 0.588149 0.911851 Hg\n0.588149 0.911851 0.911851 Hg\n0.766159 0.063563 0.404119 Hg\n0.766159 0.766159 0.404119 Hg\n0.063563 0.766159 0.404119 Hg\n0.766159 0.404119 0.063563 Hg\n0.063563 0.404119 0.766159 Hg\n0.766159 0.404119 0.766159 Hg\n0.404119 0.766159 0.766159 Hg\n0.404119 0.063563 0.766159 Hg\n0.404119 0.766159 0.063563 Hg\n0.063563 0.766159 0.766159 Hg\n0.766159 0.766159 0.063563 Hg\n0.766159 0.063563 0.766159 Hg\n",
"nsites": 112,
"nelements": 2,
"elements": [
"Sm",
"Hg"
],
"chemical_system": "Hg-Sm",
"density": 12.964372299582736,
"density_atomic": 0.04093534291233569,
"volume": 2736.022029663987,
"volume_molar": 14.711348022408416,
"formula_full": "Sm22 Hg90",
"formula_reduced": "Sm11Hg45",
"formula_anonymous": "A11B45",
"energy": -158.31065831,
"energy_per_atom": -1.413488020625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.31065831,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.5208552,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.185000Z",
"spacegroup": 216
},
{
"id": "mp-1039319",
"created_at": "2022-09-04T14:48:10.585572Z",
"structure_string": "Mg4 Cd2\n1.0\n1.593654 5.919102 0.000000\n-1.593654 5.919102 0.000000\n0.000000 1.892188 7.060701\nMg Cd\n4 2\ndirect\n0.304871 0.304871 0.141184 Mg\n0.027297 0.027297 0.197892 Mg\n0.972703 0.972703 0.802108 Mg\n0.695129 0.695129 0.858816 Mg\n0.637794 0.637794 0.472472 Cd\n0.362206 0.362206 0.527528 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.0145228578599745,
"density_atomic": 0.04504261259579487,
"volume": 133.2071932381683,
"volume_molar": 13.369874465412826,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.4833776,
"energy_per_atom": -1.4138962666666668,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -8.4833776,
"band_gap": 0.0,
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"total_magnetization": 0.0007111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.345000Z",
"spacegroup": 12
},
{
"id": "mp-1021309",
"created_at": "2022-09-04T14:40:44.119288Z",
"structure_string": "K2 Li2 Mg12\n1.0\n5.434077 0.000000 0.000000\n0.000000 6.489644 0.000000\n0.000000 0.000000 11.935609\nK Li Mg\n2 2 12\ndirect\n0.500000 0.000000 0.169307 K\n0.500000 0.500000 0.669307 K\n0.500000 0.500000 0.166896 Li\n0.500000 0.000000 0.666896 Li\n0.500000 0.248059 0.418374 Mg\n0.500000 0.751941 0.418374 Mg\n0.000000 0.737227 0.077140 Mg\n0.000000 0.262773 0.077140 Mg\n0.000000 0.000000 0.341306 Mg\n0.000000 0.500000 0.331459 Mg\n0.500000 0.748059 0.918374 Mg\n0.500000 0.251941 0.918374 Mg\n0.000000 0.237227 0.577140 Mg\n0.000000 0.762773 0.577140 Mg\n0.000000 0.500000 0.841306 Mg\n0.000000 0.000000 0.831459 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Li",
"Mg"
],
"chemical_system": "K-Li-Mg",
"density": 1.5138865810545188,
"density_atomic": 0.0380127017253351,
"volume": 420.91193926729375,
"volume_molar": 15.84244341145134,
"formula_full": "K2 Li2 Mg12",
"formula_reduced": "KLiMg6",
"formula_anonymous": "ABC6",
"energy": -22.62812451,
"energy_per_atom": -1.414257781875,
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"updated_at": "2021-11-28T01:35:07.334000Z",
"spacegroup": 38
},
{
"id": "mp-1095849",
"created_at": "2022-09-04T14:46:30.081830Z",
"structure_string": "La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Y",
"Zn"
],
"chemical_system": "La-Y-Zn",
"density": 0.5027853697268098,
"density_atomic": 0.0033771296441795105,
"volume": 1184.4377982035744,
"volume_molar": 178.32127855616,
"formula_full": "La1 Y1 Zn2",
"formula_reduced": "LaYZn2",
"formula_anonymous": "ABC2",
"energy": -5.65735476,
"energy_per_atom": -1.41433869,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.65735476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9998364,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.617000Z",
"spacegroup": 71
}
]
}