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=-formation_energy&page=11544",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=11542",
"results": [
{
"id": "mp-1223422",
"created_at": "2022-09-04T14:43:53.831930Z",
"structure_string": "La10 Zn1 Pb5\n1.0\n0.000000 0.000000 6.426176\n-6.444936 6.444936 3.213088\n-6.444936 -6.444936 -3.213088\nLa Zn Pb\n10 1 5\ndirect\n0.250000 0.500000 0.500000 La\n0.750000 0.500000 0.500000 La\n0.423884 0.866252 0.702412 La\n0.587725 0.133748 0.297588 La\n0.912275 0.297588 0.133748 La\n0.076116 0.702412 0.866252 La\n0.721472 0.702412 0.133748 La\n0.290136 0.297588 0.866252 La\n0.778528 0.133748 0.702412 La\n0.209864 0.866252 0.297588 La\n0.750000 0.000000 0.000000 Zn\n0.338203 0.500000 0.176405 Pb\n0.661797 0.500000 0.823595 Pb\n0.838203 0.823595 0.500000 Pb\n0.161797 0.176405 0.500000 Pb\n0.250000 0.000000 0.000000 Pb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Zn",
"Pb"
],
"chemical_system": "La-Pb-Zn",
"density": 7.746570611184828,
"density_atomic": 0.029970925426589967,
"volume": 533.8507160611373,
"volume_molar": 20.09327598091851,
"formula_full": "La10 Zn1 Pb5",
"formula_reduced": "La10ZnPb5",
"formula_anonymous": "AB5C10",
"energy": -77.06580427,
"energy_per_atom": -4.816612766875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.06580427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.7852879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.306000Z",
"spacegroup": 97
},
{
"id": "mp-1008511",
"created_at": "2022-09-04T14:43:53.856431Z",
"structure_string": "Ba1 Ga1 Cu2\n1.0\n5.848599 -2.159430 0.000000\n5.848599 2.159430 0.000000\n5.051291 0.000000 3.654273\nBa Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n0.811676 0.811676 0.811676 Cu\n0.188324 0.188324 0.188324 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Cu"
],
"chemical_system": "Ba-Cu-Ga",
"density": 6.011158843398716,
"density_atomic": 0.043334923114335615,
"volume": 92.30430591618521,
"volume_molar": 13.896738074534204,
"formula_full": "Ba1 Ga1 Cu2",
"formula_reduced": "BaGaCu2",
"formula_anonymous": "ABC2",
"energy": -14.02308228,
"energy_per_atom": -3.50577057,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.02308228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.352000Z",
"spacegroup": 166
},
{
"id": "mp-22562",
"created_at": "2022-09-04T14:43:53.886601Z",
"structure_string": "Y2 S2\n1.0\n-1.908753 1.908753 10.674860\n1.908753 -1.908753 10.674860\n1.908753 1.908753 -10.674860\nY S\n2 2\ndirect\n0.303654 0.303654 0.000000 Y\n0.696346 0.696346 0.000000 Y\n0.172960 0.172960 0.000000 S\n0.827040 0.827040 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Y",
"S"
],
"chemical_system": "S-Y",
"density": 2.582487218430344,
"density_atomic": 0.025712147258059065,
"volume": 155.56849297159587,
"volume_molar": 23.421384062400527,
"formula_full": "Y2 S2",
"formula_reduced": "YS",
"formula_anonymous": "AB",
"energy": -29.36009362,
"energy_per_atom": -7.340023405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.35409362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.974000Z",
"spacegroup": 139
},
{
"id": "mp-774611",
"created_at": "2022-09-04T14:43:54.056010Z",
"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n6.585787 0.000000 0.000000\n0.000000 8.979022 0.000000\n0.000000 0.273947 10.379648\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.474073 0.240451 0.619102 Na\n0.010927 0.241520 0.126995 Na\n0.492254 0.240511 0.122461 Na\n0.510927 0.758480 0.873005 Na\n0.992254 0.759489 0.877539 Na\n0.974073 0.759549 0.380898 Na\n0.756867 0.347631 0.888499 Mn\n0.756606 0.346044 0.395759 Mn\n0.256606 0.653956 0.604241 Mn\n0.256867 0.652369 0.111501 Mn\n0.253857 0.427625 0.857113 P\n0.250395 0.425251 0.357105 P\n0.750395 0.574749 0.642895 P\n0.753857 0.572375 0.142887 P\n0.750157 0.077559 0.864665 C\n0.744553 0.076524 0.366057 C\n0.244553 0.923476 0.633943 C\n0.250157 0.922441 0.135335 C\n0.245210 0.058865 0.649901 O\n0.249967 0.060795 0.143920 O\n0.756818 0.145780 0.976208 O\n0.742937 0.142604 0.477377 O\n0.744002 0.172967 0.767574 O\n0.747627 0.178060 0.269292 O\n0.067492 0.332558 0.896056 O\n0.440927 0.331330 0.894447 O\n0.063830 0.324372 0.381148 O\n0.439172 0.330499 0.392437 O\n0.259375 0.467210 0.710301 O\n0.739284 0.427704 0.570690 O\n0.257641 0.462597 0.207320 O\n0.753928 0.422357 0.070404 O\n0.253928 0.577643 0.929596 O\n0.757641 0.537403 0.792680 O\n0.239284 0.572296 0.429310 O\n0.759375 0.532790 0.289699 O\n0.563830 0.675628 0.618852 O\n0.939172 0.669501 0.607563 O\n0.567492 0.667442 0.103944 O\n0.940927 0.668670 0.105553 O\n0.247627 0.821940 0.730708 O\n0.244002 0.827033 0.232426 O\n0.242937 0.857396 0.522623 O\n0.256818 0.854220 0.023792 O\n0.749967 0.939205 0.856080 O\n0.745210 0.941135 0.350099 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.644820545657114,
"density_atomic": 0.07494427968426122,
"volume": 613.7893404779804,
"volume_molar": 8.035490881186877,
"formula_full": "Na6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -344.79995279,
"energy_per_atom": -7.495651147608696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.89195279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0012971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.355000Z",
"spacegroup": 4
},
{
"id": "mp-1209707",
"created_at": "2022-09-04T14:43:54.069577Z",
"structure_string": "Pu2 O1 F1\n1.0\n3.484224 -0.000822 0.000345\n-0.000823 3.469744 -0.001525\n0.000782 -0.003328 8.728696\nPu O F\n2 1 1\ndirect\n0.499972 0.500059 0.264375 Pu\n0.500027 0.499956 0.735653 Pu\n0.499999 0.500006 0.499976 O\n0.500002 0.499979 0.999996 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"O",
"F"
],
"chemical_system": "F-O-Pu",
"density": 8.229930986572286,
"density_atomic": 0.03790593578795474,
"volume": 105.52437017716547,
"volume_molar": 15.887065270430913,
"formula_full": "Pu2 O1 F1",
"formula_reduced": "Pu2OF",
"formula_anonymous": "ABC2",
"energy": -43.7061813,
"energy_per_atom": -10.926545325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.5571813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.825088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.272000Z",
"spacegroup": 123
},
{
"id": "mp-752417",
"created_at": "2022-09-04T14:43:54.073358Z",
"structure_string": "Li4 Mn6 Cr2 O16\n1.0\n2.942341 -5.096285 0.000000\n2.942341 5.096285 0.000000\n0.000000 0.000000 9.444478\nLi Mn Cr O\n4 6 2 16\ndirect\n0.333333 0.666667 0.892155 Li\n0.000000 0.000000 0.997777 Li\n0.000000 0.000000 0.497777 Li\n0.666667 0.333333 0.392155 Li\n0.170723 0.829277 0.214873 Mn\n0.170723 0.341446 0.214873 Mn\n0.658554 0.829277 0.214873 Mn\n0.341446 0.170723 0.714873 Mn\n0.829277 0.658554 0.714873 Mn\n0.829277 0.170723 0.714873 Mn\n0.333333 0.666667 0.488451 Cr\n0.666667 0.333333 0.988451 Cr\n0.161800 0.838200 0.602402 O\n0.039863 0.519932 0.337845 O\n0.333333 0.666667 0.101108 O\n0.000000 0.000000 0.308742 O\n0.000000 0.000000 0.808742 O\n0.161800 0.323601 0.602402 O\n0.480068 0.960137 0.337845 O\n0.480068 0.519932 0.337845 O\n0.323601 0.161800 0.102402 O\n0.676399 0.838200 0.602402 O\n0.519932 0.480068 0.837845 O\n0.519932 0.039863 0.837845 O\n0.666667 0.333333 0.601108 O\n0.838200 0.676399 0.102402 O\n0.960137 0.480068 0.837845 O\n0.838200 0.161800 0.102402 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.205722278239372,
"density_atomic": 0.09885607560267395,
"volume": 283.24005205849613,
"volume_molar": 6.091826651307113,
"formula_full": "Li4 Mn6 Cr2 O16",
"formula_reduced": "Li2Mn3CrO8",
"formula_anonymous": "AB2C3D8",
"energy": -219.6554223,
"energy_per_atom": -7.844836510714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.6574223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0015691,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.665000Z",
"spacegroup": 186
},
{
"id": "mp-1518234",
"created_at": "2022-09-04T14:43:54.075594Z",
"structure_string": "K1 Eu1 Hf1 Zr1 O6\n1.0\n-0.000000 -4.158909 -4.158909\n4.158909 0.000000 -4.158909\n4.158909 -4.158909 -0.000000\nK Eu Hf Zr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n-0.000000 -0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751660 0.248340 0.248340 O\n0.248340 0.751660 0.751660 O\n0.751660 0.248340 0.751660 O\n0.248340 0.751660 0.248340 O\n0.751660 0.751660 0.248340 O\n0.248340 0.248340 0.751660 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Hf",
"Zr",
"O"
],
"chemical_system": "Eu-Hf-K-O-Zr",
"density": 6.426267225463719,
"density_atomic": 0.0695075132212679,
"volume": 143.8693392492166,
"volume_molar": 8.66401412006975,
"formula_full": "K1 Eu1 Hf1 Zr1 O6",
"formula_reduced": "KEuHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -92.88853838,
"energy_per_atom": -9.288853838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.76653837999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.000085,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.251000Z",
"spacegroup": 216
},
{
"id": "mp-1611",
"created_at": "2022-09-04T14:43:54.079774Z",
"structure_string": "Sm1 O1\n1.0\n0.000000 2.483223 2.483223\n2.483223 0.000000 2.483223\n2.483223 2.483223 0.000000\nSm O\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sm",
"O"
],
"chemical_system": "O-Sm",
"density": 9.020264673656614,
"density_atomic": 0.0653059623633986,
"volume": 30.62507507156683,
"volume_molar": 9.221425643327127,
"formula_full": "Sm1 O1",
"formula_reduced": "SmO",
"formula_anonymous": "AB",
"energy": -15.88087739,
"energy_per_atom": -7.940438695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.19387739,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.421000Z",
"spacegroup": 225
},
{
"id": "mp-1036193",
"created_at": "2022-09-04T14:43:54.145450Z",
"structure_string": "Mg14 Ti1 Mn1 O16\n1.0\n8.602788 0.000000 0.000000\n0.000000 8.594453 0.000000\n0.000000 0.000000 4.268330\nMg Ti Mn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.248961 0.500000 Mg\n0.000000 0.751039 0.500000 Mg\n0.500000 0.249870 0.500000 Mg\n0.500000 0.750130 0.500000 Mg\n0.251557 0.000000 0.500000 Mg\n0.252118 0.500000 0.500000 Mg\n0.748443 0.000000 0.500000 Mg\n0.747882 0.500000 0.500000 Mg\n0.251652 0.249764 0.000000 Mg\n0.251652 0.750236 0.000000 Mg\n0.748348 0.249764 0.000000 Mg\n0.748348 0.750236 0.000000 Mg\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Mn\n0.258159 0.000000 0.000000 O\n0.257096 0.500000 0.000000 O\n0.741841 0.000000 0.000000 O\n0.742904 0.500000 0.000000 O\n0.248892 0.250270 0.500000 O\n0.248892 0.749730 0.500000 O\n0.751108 0.250270 0.500000 O\n0.751108 0.749730 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.251427 0.000000 O\n0.000000 0.748573 0.000000 O\n0.500000 0.250266 0.000000 O\n0.500000 0.749734 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O-Ti",
"density": 3.6783367174868005,
"density_atomic": 0.101399199821296,
"volume": 315.58434441688087,
"volume_molar": 5.939041699158677,
"formula_full": "Mg14 Ti1 Mn1 O16",
"formula_reduced": "Mg14TiMnO16",
"formula_anonymous": "ABC14D16",
"energy": -211.96280316,
"energy_per_atom": -6.62383759875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.30280316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9726001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.862000Z",
"spacegroup": 47
},
{
"id": "mp-1756",
"created_at": "2022-09-04T14:43:55.042720Z",
"structure_string": "Th1 B6\n1.0\n4.110774 0.000000 0.000000\n0.000000 4.110774 0.000000\n0.000000 0.000000 4.110774\nTh B\n1 6\ndirect\n0.000000 0.000000 0.000000 Th\n0.802738 0.500000 0.500000 B\n0.197262 0.500000 0.500000 B\n0.500000 0.500000 0.802738 B\n0.500000 0.500000 0.197262 B\n0.500000 0.197262 0.500000 B\n0.500000 0.802738 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Th",
"B"
],
"chemical_system": "B-Th",
"density": 7.097320717139876,
"density_atomic": 0.10076906686481692,
"volume": 69.46576184327077,
"volume_molar": 5.976179940297337,
"formula_full": "Th1 B6",
"formula_reduced": "ThB6",
"formula_anonymous": "AB6",
"energy": -50.91133247,
"energy_per_atom": -7.273047495714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.91133247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022221,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.734000Z",
"spacegroup": 221
},
{
"id": "mp-1225103",
"created_at": "2022-09-04T14:43:53.839353Z",
"structure_string": "Er2 B6 Rh9\n1.0\n2.798157 -4.846551 0.000000\n2.798157 4.846551 0.000000\n0.000000 0.000000 8.569182\nEr B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.706484 Er\n0.000000 0.000000 0.293516 Er\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.667126 B\n0.333333 0.666667 0.667126 B\n0.333333 0.666667 0.332874 B\n0.666667 0.333333 0.332874 B\n0.500000 0.500000 0.835454 Rh\n0.500000 0.000000 0.835454 Rh\n0.000000 0.500000 0.835454 Rh\n0.500000 0.500000 0.164546 Rh\n0.500000 0.000000 0.164546 Rh\n0.000000 0.500000 0.164546 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Er",
"B",
"Rh"
],
"chemical_system": "B-Er-Rh",
"density": 9.470340137810304,
"density_atomic": 0.07314332405552683,
"volume": 232.42039132777768,
"volume_molar": 8.233343012177416,
"formula_full": "Er2 B6 Rh9",
"formula_reduced": "Er2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy": -126.24483265,
"energy_per_atom": -7.426166626470589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.24483265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.019536,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.418000Z",
"spacegroup": 191
},
{
"id": "mp-752536",
"created_at": "2022-09-04T14:43:53.843304Z",
"structure_string": "Mn5 O8\n1.0\n5.412911 -2.997992 0.000000\n5.412911 2.997992 0.000000\n3.752445 0.000000 4.920033\nMn O\n5 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.730562 0.730562 0.730562 O\n0.247887 0.247887 0.706120 O\n0.247887 0.706120 0.247887 O\n0.706120 0.247887 0.247887 O\n0.293880 0.752113 0.752113 O\n0.752113 0.293880 0.752113 O\n0.752113 0.752113 0.293880 O\n0.269438 0.269438 0.269438 O\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.187507914602975,
"density_atomic": 0.08141116787449723,
"volume": 159.6832515661818,
"volume_molar": 7.3971924457387495,
"formula_full": "Mn5 O8",
"formula_reduced": "Mn5O8",
"formula_anonymous": "A5B8",
"energy": -109.9138208,
"energy_per_atom": -8.454909292307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.0778208,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0003008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.716000Z",
"spacegroup": 166
}
]
}