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=id&page=1745",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=1743",
"results": [
{
"id": "mp-1104073",
"created_at": "2022-09-04T14:46:28.501426Z",
"structure_string": "C11 N4\n1.0\n3.541729 0.000000 0.000000\n0.000000 3.541729 0.000000\n0.000000 0.000000 6.993184\nC N\n11 4\ndirect\n0.500000 0.000000 0.257003 C\n0.500000 0.000000 0.742997 C\n0.000000 0.500000 0.742997 C\n0.000000 0.500000 0.257003 C\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.000000 C\n0.744811 0.744811 0.128196 C\n0.255189 0.255189 0.128196 C\n0.255189 0.744811 0.871804 C\n0.744811 0.255189 0.871804 C\n0.000000 0.000000 0.500000 C\n0.763099 0.763099 0.624596 N\n0.236901 0.236901 0.624596 N\n0.236901 0.763099 0.375404 N\n0.763099 0.236901 0.375404 N\n",
"nsites": 15,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.5615169398560904,
"density_atomic": 0.17099588086563614,
"volume": 87.72141132327386,
"volume_molar": 3.5218045776974205,
"formula_full": "C11 N4",
"formula_reduced": "C11N4",
"formula_anonymous": "A4B11",
"energy": -130.19804721,
"energy_per_atom": -8.679869814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.75404721,
"band_gap": 2.434899999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052844,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.688000Z",
"spacegroup": 111
},
{
"id": "mp-1104074",
"created_at": "2022-09-04T14:39:27.462553Z",
"structure_string": "Sr9 Pt6\n1.0\n6.504624 -4.720908 0.000000\n6.504624 4.720908 0.000000\n3.078297 0.000000 7.424365\nSr Pt\n9 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.796612 0.796612 0.796612 Sr\n0.203388 0.203388 0.203388 Sr\n0.326020 0.611911 0.843276 Sr\n0.843276 0.326020 0.611911 Sr\n0.611911 0.843276 0.326020 Sr\n0.673980 0.388089 0.156724 Sr\n0.156724 0.673980 0.388089 Sr\n0.388089 0.156724 0.673980 Sr\n0.147090 0.960256 0.587643 Pt\n0.587643 0.147090 0.960256 Pt\n0.960256 0.587643 0.147090 Pt\n0.852910 0.039744 0.412357 Pt\n0.412357 0.852910 0.039744 Pt\n0.039744 0.412357 0.852910 Pt\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Sr",
"Pt"
],
"chemical_system": "Pt-Sr",
"density": 7.134525762284608,
"density_atomic": 0.03289684241041123,
"volume": 455.9708136381133,
"volume_molar": 18.30613614786964,
"formula_full": "Sr9 Pt6",
"formula_reduced": "Sr3Pt2",
"formula_anonymous": "A2B3",
"energy": -62.872404630000005,
"energy_per_atom": -4.191493642,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.872404630000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.920000Z",
"spacegroup": 148
},
{
"id": "mp-1104078",
"created_at": "2022-09-04T14:42:10.863401Z",
"structure_string": "Y1 Mo6 S8\n1.0\n4.622317 -4.578907 0.000000\n4.622317 4.578907 0.000000\n0.086412 0.000000 6.505747\nY Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.776457 0.580022 0.439884 Mo\n0.439884 0.776457 0.580022 Mo\n0.580022 0.439884 0.776457 Mo\n0.223543 0.419978 0.560116 Mo\n0.560116 0.223543 0.419978 Mo\n0.419978 0.560116 0.223543 Mo\n0.761831 0.761831 0.761831 S\n0.238169 0.238169 0.238169 S\n0.248129 0.631059 0.871495 S\n0.871495 0.248129 0.631059 S\n0.631059 0.871495 0.248129 S\n0.751871 0.368941 0.128505 S\n0.128505 0.751871 0.368941 S\n0.368941 0.128505 0.751871 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Y",
"Mo",
"S"
],
"chemical_system": "Mo-S-Y",
"density": 5.5538105740314085,
"density_atomic": 0.0544681398882909,
"volume": 275.3903480229655,
"volume_molar": 11.056262931597907,
"formula_full": "Y1 Mo6 S8",
"formula_reduced": "Y(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy": -122.11344472000002,
"energy_per_atom": -8.140896314666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.08944472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0119005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.581000Z",
"spacegroup": 148
},
{
"id": "mp-1104080",
"created_at": "2022-09-04T14:45:21.565511Z",
"structure_string": "Re2 Pt1 N4 O8\n1.0\n4.792129 -0.213283 0.434408\n0.640920 8.016790 2.495787\n-0.582422 0.228012 7.007193\nRe Pt N O\n2 1 4 8\ndirect\n0.035559 0.653083 0.703638 Re\n0.964441 0.346917 0.296362 Re\n0.500000 0.000000 0.000000 Pt\n0.538791 0.897993 0.267725 N\n0.461209 0.102007 0.732275 N\n0.693903 0.196486 0.035219 N\n0.306097 0.803514 0.964781 N\n0.676381 0.665840 0.710440 O\n0.323619 0.334160 0.289560 O\n0.154496 0.450524 0.835806 O\n0.845504 0.549476 0.164194 O\n0.163059 0.833188 0.799121 O\n0.836941 0.166812 0.200879 O\n0.130766 0.697800 0.456071 O\n0.869234 0.302200 0.543929 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Re",
"Pt",
"N",
"O"
],
"chemical_system": "N-O-Pt-Re",
"density": 4.624844343367864,
"density_atomic": 0.0555902643412203,
"volume": 269.83142062300766,
"volume_molar": 10.833085309750127,
"formula_full": "Re2 Pt1 N4 O8",
"formula_reduced": "Re2Pt(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -110.9665892,
"energy_per_atom": -7.397772613333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.0265892,
"band_gap": 0.3399,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9997086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.972000Z",
"spacegroup": 2
},
{
"id": "mp-1104088",
"created_at": "2022-09-04T14:45:36.732309Z",
"structure_string": "Tb6 Pd8\n1.0\n4.294323 -6.658669 0.000000\n4.294323 6.658669 0.000000\n-6.030441 0.000000 5.139344\nTb Pd\n6 8\ndirect\n0.974063 0.596533 0.720494 Tb\n0.720494 0.974063 0.596533 Tb\n0.596533 0.720494 0.974063 Tb\n0.025937 0.403467 0.279506 Tb\n0.279506 0.025937 0.403467 Tb\n0.403467 0.279506 0.025937 Tb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.939119 0.775416 0.448295 Pd\n0.448295 0.939119 0.775416 Pd\n0.775416 0.448295 0.939119 Pd\n0.060881 0.224584 0.551705 Pd\n0.551705 0.060881 0.224584 Pd\n0.224584 0.551705 0.060881 Pd\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Tb",
"Pd"
],
"chemical_system": "Pd-Tb",
"density": 10.197303290686841,
"density_atomic": 0.04763303106794446,
"volume": 293.91369153120223,
"volume_molar": 12.64278301208657,
"formula_full": "Tb6 Pd8",
"formula_reduced": "Tb3Pd4",
"formula_anonymous": "A3B4",
"energy": -82.20732644,
"energy_per_atom": -5.871951888571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.20732644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007418,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.500000Z",
"spacegroup": 148
},
{
"id": "mp-1104089",
"created_at": "2022-09-04T14:44:25.819692Z",
"structure_string": "Hf2 Ni8 As4\n1.0\n7.030843 0.000000 0.000000\n0.000000 7.030843 0.000000\n0.000000 0.000000 3.762681\nHf Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.590819 0.156165 0.500000 Ni\n0.409181 0.843835 0.500000 Ni\n0.090819 0.343835 0.000000 Ni\n0.909181 0.656165 0.000000 Ni\n0.156165 0.590819 0.500000 Ni\n0.843835 0.409181 0.500000 Ni\n0.343835 0.090819 0.000000 Ni\n0.656165 0.909181 0.000000 Ni\n0.716352 0.716352 0.500000 As\n0.283648 0.283648 0.500000 As\n0.216352 0.783648 0.000000 As\n0.783648 0.216352 0.000000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"As"
],
"chemical_system": "As-Hf-Ni",
"density": 10.054434847446263,
"density_atomic": 0.07526894605809507,
"volume": 185.99968158441246,
"volume_molar": 8.000830455832226,
"formula_full": "Hf2 Ni8 As4",
"formula_reduced": "Hf(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy": -91.72877201,
"energy_per_atom": -6.552055143571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.72877201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5814763,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.854000Z",
"spacegroup": 136
},
{
"id": "mp-1104097",
"created_at": "2022-09-04T14:45:09.568436Z",
"structure_string": "Ti1 Co6 Ge6\n1.0\n5.016323 0.000000 0.000000\n-2.508161 4.344263 0.000000\n0.000000 0.000000 7.742462\nTi Co Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.751261 Co\n0.500000 0.000000 0.751261 Co\n0.000000 0.500000 0.751261 Co\n0.500000 0.500000 0.248739 Co\n0.500000 0.000000 0.248739 Co\n0.000000 0.500000 0.248739 Co\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n0.000000 0.000000 0.666294 Ge\n0.000000 0.000000 0.333706 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ti",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Ti",
"density": 8.240483690676694,
"density_atomic": 0.07704823022235159,
"volume": 168.7254848357142,
"volume_molar": 7.816066303691666,
"formula_full": "Ti1 Co6 Ge6",
"formula_reduced": "Ti(CoGe)6",
"formula_anonymous": "AB6C6",
"energy": -82.10186906,
"energy_per_atom": -6.315528389230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.10186906,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4878372,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.806000Z",
"spacegroup": 191
},
{
"id": "mp-1104100",
"created_at": "2022-09-04T14:45:12.987178Z",
"structure_string": "Nd3 Al11\n1.0\n-2.178259 5.033941 6.499490\n2.178259 -5.033941 6.499490\n2.178259 5.033941 -6.499490\nNd Al\n3 11\ndirect\n0.000000 0.000000 0.000000 Nd\n0.317380 0.317380 0.000000 Nd\n0.682620 0.682620 0.000000 Nd\n0.500000 0.000000 0.500000 Al\n0.283882 0.500000 0.783882 Al\n0.716118 0.500000 0.216118 Al\n0.964540 0.334066 0.630474 Al\n0.035460 0.665934 0.369526 Al\n0.703592 0.334066 0.369526 Al\n0.296408 0.665934 0.630474 Al\n0.863280 0.137293 0.725987 Al\n0.136720 0.862707 0.274013 Al\n0.411306 0.137293 0.274013 Al\n0.588694 0.862707 0.725987 Al\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 4.249434424520705,
"density_atomic": 0.049110134803261575,
"volume": 285.073540443025,
"volume_molar": 12.262521339281783,
"formula_full": "Nd3 Al11",
"formula_reduced": "Nd3Al11",
"formula_anonymous": "A3B11",
"energy": -60.78540022999999,
"energy_per_atom": -4.341814302142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.78540022999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.29e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.260000Z",
"spacegroup": 71
},
{
"id": "mp-1104101",
"created_at": "2022-09-04T14:44:22.543743Z",
"structure_string": "Er1 Mn4 Al8\n1.0\n0.000000 0.000000 5.144999\n-4.367983 4.367983 2.572500\n-4.367983 -4.367983 2.572500\nEr Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.335517 0.664483 Al\n0.000000 0.664483 0.335517 Al\n0.664483 0.335517 0.335517 Al\n0.335517 0.664483 0.664483 Al\n0.500000 0.775917 0.224083 Al\n0.500000 0.224083 0.775917 Al\n0.724083 0.775917 0.775917 Al\n0.275917 0.224083 0.224083 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Al"
],
"chemical_system": "Al-Er-Mn",
"density": 5.099069257076484,
"density_atomic": 0.06621649413151441,
"volume": 196.32570661594283,
"volume_molar": 9.094623384982086,
"formula_full": "Er1 Mn4 Al8",
"formula_reduced": "Er(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy": -75.62845384,
"energy_per_atom": -5.817573372307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.62845384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1726223,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.328000Z",
"spacegroup": 139
},
{
"id": "mp-1104102",
"created_at": "2022-09-04T14:41:56.867881Z",
"structure_string": "Yb2 Ni8 As4\n1.0\n7.209228 0.000000 0.000000\n0.000000 7.209228 0.000000\n0.000000 0.000000 3.740074\nYb Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.589356 0.154077 0.500000 Ni\n0.410644 0.845923 0.500000 Ni\n0.089356 0.345923 0.000000 Ni\n0.910644 0.654077 0.000000 Ni\n0.154077 0.589356 0.500000 Ni\n0.845923 0.410644 0.500000 Ni\n0.345923 0.089356 0.000000 Ni\n0.654077 0.910644 0.000000 Ni\n0.717386 0.717386 0.500000 As\n0.282614 0.282614 0.500000 As\n0.217386 0.782614 0.000000 As\n0.782614 0.217386 0.000000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"As"
],
"chemical_system": "As-Ni-Yb",
"density": 9.527706685343743,
"density_atomic": 0.07202285269232432,
"volume": 194.38274765103853,
"volume_molar": 8.361430483357951,
"formula_full": "Yb2 Ni8 As4",
"formula_reduced": "Yb(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy": -76.04557917,
"energy_per_atom": -5.431827083571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.04557917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137394,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.459000Z",
"spacegroup": 136
},
{
"id": "mp-1104103",
"created_at": "2022-09-04T14:42:57.509059Z",
"structure_string": "Dy1 Mn4 Al8\n1.0\n0.000000 0.000000 -5.152006\n-4.392215 -4.392215 -2.576003\n-4.392215 4.392215 -2.576003\nDy Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.663844 0.336156 Al\n0.000000 0.336156 0.663844 Al\n0.663844 0.336156 0.336156 Al\n0.336156 0.663844 0.663844 Al\n0.500000 0.224315 0.775685 Al\n0.500000 0.775685 0.224315 Al\n0.724315 0.775685 0.775685 Al\n0.275685 0.224315 0.224315 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"Al"
],
"chemical_system": "Al-Dy-Mn",
"density": 4.996347334833791,
"density_atomic": 0.06539880533095797,
"volume": 198.7803895531737,
"volume_molar": 9.20833450936035,
"formula_full": "Dy1 Mn4 Al8",
"formula_reduced": "Dy(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy": -75.67181266,
"energy_per_atom": -5.820908666153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.67181266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3855819,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.168000Z",
"spacegroup": 139
},
{
"id": "mp-1104104",
"created_at": "2022-09-04T14:45:54.722070Z",
"structure_string": "Be12 Fe1\n1.0\n-3.575387 3.575387 2.039115\n3.575387 -3.575387 2.039115\n3.575387 3.575387 -2.039115\nBe Fe\n12 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.346025 0.346025 Be\n0.000000 0.653975 0.653975 Be\n0.653975 0.000000 0.653975 Be\n0.346025 0.000000 0.346025 Be\n0.500000 0.290342 0.790342 Be\n0.500000 0.709658 0.209658 Be\n0.709658 0.500000 0.209658 Be\n0.290342 0.500000 0.790342 Be\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Be",
"Fe"
],
"chemical_system": "Be-Fe",
"density": 2.6116908934371046,
"density_atomic": 0.12467963670242638,
"volume": 104.26722714172786,
"volume_molar": 4.830091680787521,
"formula_full": "Be12 Fe1",
"formula_reduced": "Be12Fe",
"formula_anonymous": "AB12",
"energy": -53.9412141,
"energy_per_atom": -4.149324161538462,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.9412141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.305000Z",
"spacegroup": 139
}
]
}