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=-volume&page=10245",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10243",
"results": [
{
"id": "mp-997029",
"created_at": "2022-09-04T14:46:38.285283Z",
"structure_string": "Tl2 Cu2 O4\n1.0\n1.768513 -3.063155 0.000000\n1.768513 3.063155 0.000000\n0.000000 0.000000 11.771670\nTl Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Tl\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.904332 O\n0.333333 0.666667 0.404332 O\n0.666667 0.333333 0.595668 O\n0.333333 0.666667 0.095668 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tl",
"density": 7.8099984034065,
"density_atomic": 0.06272557954648834,
"volume": 127.53967452896775,
"volume_molar": 9.60077340622538,
"formula_full": "Tl2 Cu2 O4",
"formula_reduced": "TlCuO2",
"formula_anonymous": "ABC2",
"energy": -40.15302573,
"energy_per_atom": -5.01912821625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.40502573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.166000Z",
"spacegroup": 194
},
{
"id": "mp-999289",
"created_at": "2022-09-04T14:41:20.453765Z",
"structure_string": "Pr1 Tl1 Se2\n1.0\n7.861332 -2.178148 0.000000\n7.861332 2.178148 0.000000\n7.257830 0.000000 3.724079\nPr Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Tl\n0.737088 0.737088 0.737088 Se\n0.262912 0.262912 0.262912 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Tl",
"Se"
],
"chemical_system": "Pr-Se-Tl",
"density": 6.551892693633183,
"density_atomic": 0.03136372136505367,
"volume": 127.53588623755951,
"volume_molar": 19.200976471848254,
"formula_full": "Pr1 Tl1 Se2",
"formula_reduced": "PrTlSe2",
"formula_anonymous": "ABC2",
"energy": -20.55734844,
"energy_per_atom": -5.13933711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.61334844,
"band_gap": 1.6079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.247000Z",
"spacegroup": 166
},
{
"id": "mp-1094288",
"created_at": "2022-09-04T14:40:55.148285Z",
"structure_string": "Sr2 Mg1\n1.0\n-2.015359 2.132998 7.416944\n2.015359 -2.132998 7.416944\n2.015359 2.132998 -7.416944\nSr Mg\n2 1\ndirect\n0.856614 0.856614 0.000000 Sr\n0.143386 0.143386 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.598137246499854,
"density_atomic": 0.023523037236154218,
"volume": 127.53455133714995,
"volume_molar": 25.601033997192108,
"formula_full": "Sr2 Mg1",
"formula_reduced": "Sr2Mg",
"formula_anonymous": "AB2",
"energy": -5.07547187,
"energy_per_atom": -1.6918239566666669,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.07547187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.94e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.192000Z",
"spacegroup": 71
},
{
"id": "mp-1227030",
"created_at": "2022-09-04T14:44:25.314043Z",
"structure_string": "Ca1 Sm1 Al4\n1.0\n0.000000 3.995139 3.995139\n3.995139 0.000000 3.995139\n3.995139 3.995139 0.000000\nCa Sm Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Sm\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"Al"
],
"chemical_system": "Al-Ca-Sm",
"density": 3.8848125260099597,
"density_atomic": 0.04704631073321972,
"volume": 127.53391087397974,
"volume_molar": 12.80045271594001,
"formula_full": "Ca1 Sm1 Al4",
"formula_reduced": "CaSmAl4",
"formula_anonymous": "ABC4",
"energy": -24.133113280000003,
"energy_per_atom": -4.022185546666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.133113280000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0113866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.807000Z",
"spacegroup": 216
},
{
"id": "mp-1072852",
"created_at": "2022-09-04T14:42:17.023359Z",
"structure_string": "Cd2 B4\n1.0\n5.033536 0.000000 0.000000\n0.000000 5.033536 0.000000\n0.000000 0.000000 5.033536\nCd B\n2 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.250000 B\n0.250000 0.250000 0.750000 B\n0.250000 0.750000 0.250000 B\n0.750000 0.750000 0.750000 B\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cd",
"B"
],
"chemical_system": "B-Cd",
"density": 3.4903686104871814,
"density_atomic": 0.04704697593257624,
"volume": 127.53210766614828,
"volume_molar": 12.800271729750333,
"formula_full": "Cd2 B4",
"formula_reduced": "CdB2",
"formula_anonymous": "AB2",
"energy": -13.12779942,
"energy_per_atom": -2.18796657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.12779942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005365,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.116000Z",
"spacegroup": 224
},
{
"id": "mp-759471",
"created_at": "2022-09-04T14:42:28.661934Z",
"structure_string": "Li7 V1 O5 F1\n1.0\n5.377868 0.007694 0.011326\n2.670267 5.284945 -0.017585\n-2.648377 -1.417775 4.490826\nLi V O F\n7 1 5 1\ndirect\n0.233851 0.368447 0.461528 Li\n0.472778 0.668189 0.899435 Li\n0.289509 0.972487 0.623034 Li\n0.744817 0.985788 0.346774 Li\n0.485052 0.356920 0.112583 Li\n0.912555 0.386340 0.806402 Li\n0.782876 0.626456 0.514422 Li\n0.958233 0.017076 0.976315 V\n0.074836 0.767438 0.617242 O\n0.235705 0.181551 0.066068 O\n0.613209 0.259127 0.778817 O\n0.771853 0.780130 0.913613 O\n0.911779 0.240193 0.384776 O\n0.408547 0.742357 0.248490 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.5850006741070604,
"density_atomic": 0.1097809016952989,
"volume": 127.52673537750252,
"volume_molar": 5.48559965076137,
"formula_full": "Li7 V1 O5 F1",
"formula_reduced": "Li7VO5F",
"formula_anonymous": "ABC5D7",
"energy": -81.86118124,
"energy_per_atom": -5.847227231428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.26418124,
"band_gap": 1.9825,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.035000Z",
"spacegroup": 1
},
{
"id": "mp-1392200",
"created_at": "2022-09-04T14:40:26.309953Z",
"structure_string": "Li7 V1 O5 F1\n1.0\n5.377886 0.000000 0.000000\n-2.640939 4.713485 0.000000\n-0.036844 -3.107064 5.030921\nLi V O F\n7 1 5 1\ndirect\n0.233851 0.461528 0.631553 Li\n0.472778 0.899435 0.331811 Li\n0.289509 0.623034 0.027513 Li\n0.744817 0.346774 0.014212 Li\n0.485052 0.112583 0.643080 Li\n0.912555 0.806402 0.613660 Li\n0.782876 0.514422 0.373544 Li\n0.958233 0.976315 0.982924 V\n0.074836 0.617242 0.232562 O\n0.235705 0.066068 0.818449 O\n0.613209 0.778817 0.740873 O\n0.771853 0.913613 0.219870 O\n0.911779 0.384776 0.759807 O\n0.408547 0.248490 0.257643 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.585000812297426,
"density_atomic": 0.1097809075640258,
"volume": 127.5267285601096,
"volume_molar": 5.48559935750923,
"formula_full": "Li7 V1 O5 F1",
"formula_reduced": "Li7VO5F",
"formula_anonymous": "ABC5D7",
"energy": -68.9330974,
"energy_per_atom": -4.923792671428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.3360974,
"band_gap": 1.3787,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997316,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.579000Z",
"spacegroup": 1
},
{
"id": "mp-799536",
"created_at": "2022-09-04T14:40:05.249664Z",
"structure_string": "Li7 V1 O5 F1\n1.0\n5.377886 0.000000 0.000000\n-2.640939 4.713485 0.000000\n-0.036844 -3.107064 5.030921\nLi V O F\n7 1 5 1\ndirect\n0.233851 0.829975 0.631553 Li\n0.472778 0.567624 0.331811 Li\n0.289509 0.595521 0.027513 Li\n0.744817 0.332562 0.014212 Li\n0.485052 0.469502 0.643080 Li\n0.912555 0.192742 0.613660 Li\n0.782876 0.140878 0.373544 Li\n0.958233 0.993391 0.982924 V\n0.074836 0.384680 0.232562 O\n0.235705 0.247619 0.818449 O\n0.613209 0.037944 0.740873 O\n0.771853 0.693743 0.219870 O\n0.911779 0.624969 0.759807 O\n0.408547 0.990848 0.257643 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.585000812297426,
"density_atomic": 0.1097809075640258,
"volume": 127.5267285601096,
"volume_molar": 5.48559935750923,
"formula_full": "Li7 V1 O5 F1",
"formula_reduced": "Li7VO5F",
"formula_anonymous": "ABC5D7",
"energy": -72.27727689999999,
"energy_per_atom": -5.162662635714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.6802769,
"band_gap": 1.0364,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.610000Z",
"spacegroup": 1
},
{
"id": "mp-2499",
"created_at": "2022-09-04T14:39:33.620636Z",
"structure_string": "Ba2 Si2\n1.0\n2.530560 -6.060384 0.000000\n2.530560 6.060384 0.000000\n0.000000 0.000000 4.157617\nBa Si\n2 2\ndirect\n0.139605 0.860395 0.250000 Ba\n0.860395 0.139605 0.750000 Ba\n0.442421 0.557579 0.250000 Si\n0.557579 0.442421 0.750000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 4.3078062444812035,
"density_atomic": 0.031366693061331954,
"volume": 127.52380342354598,
"volume_molar": 19.199157361679095,
"formula_full": "Ba2 Si2",
"formula_reduced": "BaSi",
"formula_anonymous": "AB",
"energy": -16.23250501,
"energy_per_atom": -4.0581262525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.37450501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000138,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.265000Z",
"spacegroup": 63
},
{
"id": "mp-760396",
"created_at": "2022-09-04T14:43:50.234180Z",
"structure_string": "Ta2 Al2 O8\n1.0\n-3.268671 3.268671 2.983785\n3.268671 -3.268671 2.983785\n3.268671 3.268671 -2.983785\nTa Al O\n2 2 8\ndirect\n0.261733 0.761733 0.500000 Ta\n0.011733 0.011733 0.000000 Ta\n0.751385 0.251385 0.500000 Al\n0.501385 0.501385 0.000000 Al\n0.933860 0.740259 0.193601 O\n0.452756 0.253182 0.199574 O\n0.990259 0.296659 0.306399 O\n0.503182 0.803607 0.300426 O\n0.990259 0.683860 0.693601 O\n0.503182 0.202756 0.699574 O\n0.053607 0.253182 0.800426 O\n0.546659 0.740259 0.806399 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Al",
"O"
],
"chemical_system": "Al-O-Ta",
"density": 7.082091225781199,
"density_atomic": 0.09410469868966681,
"volume": 127.51754340740122,
"volume_molar": 6.399404964739835,
"formula_full": "Ta2 Al2 O8",
"formula_reduced": "TaAlO4",
"formula_anonymous": "ABC4",
"energy": -110.94898232,
"energy_per_atom": -9.245748526666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.45298232,
"band_gap": 2.5859,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.127000Z",
"spacegroup": 109
},
{
"id": "mp-21135",
"created_at": "2022-09-04T14:46:10.041142Z",
"structure_string": "Pr3 In1 O1\n1.0\n5.033320 0.000000 0.000000\n0.000000 5.033320 0.000000\n0.000000 0.000000 5.033320\nPr In O\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"In",
"O"
],
"chemical_system": "In-O-Pr",
"density": 7.208331568810903,
"density_atomic": 0.039210860931034486,
"volume": 127.51569032861036,
"volume_molar": 15.358348725349247,
"formula_full": "Pr3 In1 O1",
"formula_reduced": "Pr3InO",
"formula_anonymous": "ABC3",
"energy": -29.648100140000004,
"energy_per_atom": -5.929620028,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.96110014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0162538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.987000Z",
"spacegroup": 221
},
{
"id": "mp-1520202",
"created_at": "2022-09-04T14:41:58.831535Z",
"structure_string": "Sr1 In1 Ga1 W1 O6\n1.0\n0.000000 -3.994936 -3.994936\n3.994936 0.000000 -3.994936\n3.994936 -3.994936 0.000000\nSr In Ga W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 W\n0.745715 0.254285 0.254285 O\n0.254285 0.745715 0.745715 O\n0.745715 0.254285 0.745715 O\n0.254285 0.745715 0.254285 O\n0.745715 0.745715 0.254285 O\n0.254285 0.254285 0.745715 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"In",
"Ga",
"W",
"O"
],
"chemical_system": "Ga-In-O-Sr-W",
"density": 7.188307638700617,
"density_atomic": 0.07842247163011654,
"volume": 127.51447119858061,
"volume_molar": 7.679100944948184,
"formula_full": "Sr1 In1 Ga1 W1 O6",
"formula_reduced": "SrInGaWO6",
"formula_anonymous": "ABCDE6",
"energy": -72.20874783,
"energy_per_atom": -7.220874782999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.64874782999999,
"band_gap": 0.9516999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.977000Z",
"spacegroup": 216
}
]
}