HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1745",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=1743",
"results": [
{
"id": "mp-866111",
"created_at": "2022-09-04T14:44:44.777572Z",
"structure_string": "Ho2 Ir1 Ru1\n1.0\n0.000000 3.401159 3.401159\n3.401159 0.000000 3.401159\n3.401159 3.401159 0.000000\nHo Ir Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Ir",
"Ru"
],
"chemical_system": "Ho-Ir-Ru",
"density": 13.15010592072566,
"density_atomic": 0.050833403712087444,
"volume": 78.68841564604611,
"volume_molar": 11.8468178800469,
"formula_full": "Ho2 Ir1 Ru1",
"formula_reduced": "Ho2IrRu",
"formula_anonymous": "ABC2",
"energy": -29.8798763,
"energy_per_atom": -7.469969075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.8798763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006425,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.935000Z",
"spacegroup": 225
},
{
"id": "mp-3557",
"created_at": "2022-09-04T14:42:40.306264Z",
"structure_string": "Eu1 Cu2 Ge2\n1.0\n-2.097233 2.097233 5.139981\n2.097233 -2.097233 5.139981\n2.097233 2.097233 -5.139981\nEu Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.623373 0.623373 0.000000 Ge\n0.376627 0.376627 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Eu",
"Cu",
"Ge"
],
"chemical_system": "Cu-Eu-Ge",
"density": 7.791913187206706,
"density_atomic": 0.055291087745648435,
"volume": 90.43048715194637,
"volume_molar": 10.89170245248785,
"formula_full": "Eu1 Cu2 Ge2",
"formula_reduced": "Eu(CuGe)2",
"formula_anonymous": "AB2C2",
"energy": -29.87993556,
"energy_per_atom": -5.975987112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.87993556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7660661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.902000Z",
"spacegroup": 139
},
{
"id": "mp-866166",
"created_at": "2022-09-04T14:40:53.327498Z",
"structure_string": "Y2 Pd1 Ru1\n1.0\n0.000000 3.465023 3.465023\n3.465023 0.000000 3.465023\n3.465023 3.465023 0.000000\nY Pd Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Pd",
"Ru"
],
"chemical_system": "Pd-Ru-Y",
"density": 7.689563043388471,
"density_atomic": 0.04807415181005669,
"volume": 83.20479612004793,
"volume_molar": 12.526774853550762,
"formula_full": "Y2 Pd1 Ru1",
"formula_reduced": "Y2PdRu",
"formula_anonymous": "ABC2",
"energy": -29.88001009,
"energy_per_atom": -7.4700025225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88001009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.057000Z",
"spacegroup": 225
},
{
"id": "mp-972130",
"created_at": "2022-09-04T14:43:02.796684Z",
"structure_string": "Tl6 Cr2\n1.0\n3.352096 -5.806001 0.000000\n3.352096 5.806001 0.000000\n0.000000 0.000000 5.456342\nTl Cr\n6 2\ndirect\n0.170514 0.829486 0.250000 Tl\n0.829486 0.658971 0.750000 Tl\n0.341029 0.170514 0.750000 Tl\n0.829486 0.170514 0.750000 Tl\n0.170514 0.341029 0.250000 Tl\n0.658971 0.829486 0.250000 Tl\n0.333333 0.666667 0.750000 Cr\n0.666667 0.333333 0.250000 Cr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Cr"
],
"chemical_system": "Cr-Tl",
"density": 10.400900536758325,
"density_atomic": 0.03766733143385888,
"volume": 212.38563220352958,
"volume_molar": 15.98770215664055,
"formula_full": "Tl6 Cr2",
"formula_reduced": "Tl3Cr",
"formula_anonymous": "AB3",
"energy": -29.88066934,
"energy_per_atom": -3.7350836675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88066934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8109331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.125000Z",
"spacegroup": 194
},
{
"id": "mp-1076977",
"created_at": "2022-09-04T14:41:47.518755Z",
"structure_string": "Dy2 Al2 Ge2\n1.0\n2.045087 -5.218013 0.000000\n2.045087 5.218013 0.000000\n0.000000 0.000000 5.751232\nDy Al Ge\n2 2 2\ndirect\n0.689348 0.310652 0.250000 Dy\n0.310652 0.689348 0.750000 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.393594 0.606406 0.250000 Ge\n0.606406 0.393594 0.750000 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Ge"
],
"chemical_system": "Al-Dy-Ge",
"density": 7.092085687109485,
"density_atomic": 0.04888137602040705,
"volume": 122.74613540942697,
"volume_molar": 12.319908419693158,
"formula_full": "Dy2 Al2 Ge2",
"formula_reduced": "DyAlGe",
"formula_anonymous": "ABC",
"energy": -29.88173706,
"energy_per_atom": -4.9802895099999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88173706,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058962,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.738000Z",
"spacegroup": 63
},
{
"id": "mp-1187562",
"created_at": "2022-09-04T14:44:13.265941Z",
"structure_string": "Yb1 Cu1 O3\n1.0\n3.745823 0.000000 0.000000\n0.000000 3.745823 0.000000\n0.000000 0.000000 3.745823\nYb Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Yb",
"density": 8.99120968740075,
"density_atomic": 0.09513235513235577,
"volume": 52.55835402207376,
"volume_molar": 6.330276120696808,
"formula_full": "Yb1 Cu1 O3",
"formula_reduced": "YbCuO3",
"formula_anonymous": "ABC3",
"energy": -29.88326204,
"energy_per_atom": -5.9766524080000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.82226204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0429441,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.925000Z",
"spacegroup": 221
},
{
"id": "mp-1023192",
"created_at": "2022-09-04T14:47:59.028084Z",
"structure_string": "Ca2 Mg12 Ga2\n1.0\n5.152444 0.000000 0.000000\n0.000000 6.364403 0.000000\n0.000000 0.000000 11.607952\nCa Mg Ga\n2 12 2\ndirect\n0.500000 0.500000 0.671607 Ca\n0.500000 0.000000 0.171607 Ca\n0.500000 0.748214 0.920020 Mg\n0.500000 0.251786 0.920020 Mg\n0.000000 0.240237 0.581417 Mg\n0.000000 0.759763 0.581417 Mg\n0.000000 0.500000 0.839522 Mg\n0.000000 0.000000 0.827106 Mg\n0.500000 0.248214 0.420020 Mg\n0.500000 0.751786 0.420020 Mg\n0.000000 0.740237 0.081417 Mg\n0.000000 0.259763 0.081417 Mg\n0.000000 0.000000 0.339522 Mg\n0.000000 0.500000 0.327106 Mg\n0.500000 0.000000 0.658888 Ga\n0.500000 0.500000 0.158888 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ga"
],
"chemical_system": "Ca-Ga-Mg",
"density": 2.2303142356705954,
"density_atomic": 0.042033294149400345,
"volume": 380.6506324041762,
"volume_molar": 14.32707305450604,
"formula_full": "Ca2 Mg12 Ga2",
"formula_reduced": "CaMg6Ga",
"formula_anonymous": "ABC6",
"energy": -29.88338984,
"energy_per_atom": -1.867711865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88338984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090157,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.500000Z",
"spacegroup": 38
},
{
"id": "mp-1023181",
"created_at": "2022-09-04T14:44:45.792858Z",
"structure_string": "Ca2 Mg12 Ga2\n1.0\n5.092606 0.000000 0.000000\n0.000000 6.618071 0.000000\n0.000000 0.000000 11.333215\nCa Mg Ga\n2 12 2\ndirect\n0.000000 0.500000 0.673255 Ca\n0.000000 0.000000 0.173255 Ca\n0.000000 0.257400 0.918718 Mg\n0.000000 0.742600 0.918718 Mg\n0.000000 0.500000 0.164122 Mg\n0.500000 0.261360 0.078521 Mg\n0.500000 0.738640 0.078521 Mg\n0.500000 0.500000 0.332917 Mg\n0.000000 0.757400 0.418718 Mg\n0.000000 0.242600 0.418718 Mg\n0.000000 0.000000 0.664122 Mg\n0.500000 0.761360 0.578521 Mg\n0.500000 0.238640 0.578521 Mg\n0.500000 0.000000 0.832917 Mg\n0.500000 0.500000 0.835228 Ga\n0.500000 0.000000 0.335228 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ga"
],
"chemical_system": "Ca-Ga-Mg",
"density": 2.2226341604262374,
"density_atomic": 0.041888552723877155,
"volume": 381.9659300589715,
"volume_molar": 14.376578727121508,
"formula_full": "Ca2 Mg12 Ga2",
"formula_reduced": "CaMg6Ga",
"formula_anonymous": "ABC6",
"energy": -29.88379739,
"energy_per_atom": -1.867737336875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88379739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0072954,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.327000Z",
"spacegroup": 38
},
{
"id": "mp-1223943",
"created_at": "2022-09-04T14:42:26.141873Z",
"structure_string": "K5 C4 Br1\n1.0\n-4.958484 4.958484 3.169270\n4.958484 -4.958484 3.169270\n4.958484 4.958484 -3.169270\nK C Br\n5 4 1\ndirect\n0.185782 0.609330 0.795113 K\n0.390670 0.185782 0.576452 K\n0.609330 0.814218 0.423548 K\n0.814218 0.390670 0.204887 K\n0.000000 0.000000 0.000000 K\n0.696242 0.102992 0.799234 C\n0.897008 0.696242 0.593251 C\n0.102992 0.303758 0.406749 C\n0.303758 0.897008 0.200766 C\n0.500000 0.500000 0.000000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"C",
"Br"
],
"chemical_system": "Br-C-K",
"density": 1.723151568727195,
"density_atomic": 0.03208358843487637,
"volume": 311.6858334066376,
"volume_molar": 18.770159616726822,
"formula_full": "K5 C4 Br1",
"formula_reduced": "K5C4Br",
"formula_anonymous": "AB4C5",
"energy": -29.88446462,
"energy_per_atom": -2.9884464619999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.35046462,
"band_gap": 1.1172,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.042000Z",
"spacegroup": 87
},
{
"id": "mp-1017243",
"created_at": "2022-09-04T14:41:32.057261Z",
"structure_string": "Na2 Mg12 Bi2\n1.0\n5.332494 0.000000 0.000000\n0.000000 6.442074 0.000000\n0.000000 0.000000 11.562661\nNa Mg Bi\n2 12 2\ndirect\n0.500000 0.000000 0.167314 Na\n0.500000 0.500000 0.667314 Na\n0.500000 0.248273 0.416347 Mg\n0.500000 0.751727 0.416347 Mg\n0.000000 0.753656 0.080017 Mg\n0.000000 0.246344 0.080017 Mg\n0.000000 0.000000 0.335487 Mg\n0.000000 0.500000 0.338436 Mg\n0.500000 0.748273 0.916347 Mg\n0.500000 0.251727 0.916347 Mg\n0.000000 0.253656 0.580017 Mg\n0.000000 0.746344 0.580017 Mg\n0.000000 0.500000 0.835487 Mg\n0.000000 0.000000 0.838436 Mg\n0.500000 0.500000 0.166031 Bi\n0.500000 0.000000 0.666031 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg-Na",
"density": 3.158838071381772,
"density_atomic": 0.04028154364617736,
"volume": 397.2042417376021,
"volume_molar": 14.950124088830668,
"formula_full": "Na2 Mg12 Bi2",
"formula_reduced": "NaMg6Bi",
"formula_anonymous": "ABC6",
"energy": -29.88606105,
"energy_per_atom": -1.867878815625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88606105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.293000Z",
"spacegroup": 38
},
{
"id": "mp-16052",
"created_at": "2022-09-04T14:43:54.323256Z",
"structure_string": "Ba1 Cu4 As2\n1.0\n8.340618 -2.113882 0.000000\n8.340618 2.113882 0.000000\n7.804867 0.000000 3.621942\nBa Cu As\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.443417 0.443417 0.443417 Cu\n0.144431 0.144431 0.144431 Cu\n0.556583 0.556583 0.556583 Cu\n0.855569 0.855569 0.855569 Cu\n0.243644 0.243644 0.243644 As\n0.756356 0.756356 0.756356 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"As"
],
"chemical_system": "As-Ba-Cu",
"density": 7.0385005551189215,
"density_atomic": 0.05480845769338926,
"volume": 127.71751467920447,
"volume_molar": 10.98761215593622,
"formula_full": "Ba1 Cu4 As2",
"formula_reduced": "Ba(Cu2As)2",
"formula_anonymous": "AB2C4",
"energy": -29.887086420000003,
"energy_per_atom": -4.269583774285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.887086420000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.313000Z",
"spacegroup": 166
},
{
"id": "mp-5519",
"created_at": "2022-09-04T14:42:39.661822Z",
"structure_string": "Ho2 Ge2 Au2\n1.0\n2.236406 -3.873568 0.000000\n2.236406 3.873568 0.000000\n0.000000 0.000000 7.290953\nHo Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.460744 Ho\n0.000000 0.000000 0.960744 Ho\n0.333333 0.666667 0.753827 Ge\n0.666667 0.333333 0.253827 Ge\n0.666667 0.333333 0.668729 Au\n0.333333 0.666667 0.168729 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ge",
"Au"
],
"chemical_system": "Au-Ge-Ho",
"density": 11.424300458452622,
"density_atomic": 0.04749797810775251,
"volume": 126.32116647973051,
"volume_molar": 12.67873075847218,
"formula_full": "Ho2 Ge2 Au2",
"formula_reduced": "HoGeAu",
"formula_anonymous": "ABC",
"energy": -29.88776753,
"energy_per_atom": -4.981294588333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.88776753,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015134,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.980000Z",
"spacegroup": 186
}
]
}