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=is_theoretical&page=10211",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=10209",
"results": [
{
"id": "mp-1215395",
"created_at": "2022-09-04T14:43:10.530409Z",
"structure_string": "Zr3 Ti1 Fe8\n1.0\n8.198959 -2.474675 0.000000\n8.198959 2.474675 0.000000\n7.452034 0.000000 4.220680\nZr Ti Fe\n3 1 8\ndirect\n0.375112 0.375112 0.375112 Zr\n0.998703 0.998703 0.998703 Zr\n0.501291 0.501291 0.501291 Zr\n0.874890 0.874890 0.874890 Ti\n0.436673 0.936814 0.436673 Fe\n0.937543 0.439505 0.937543 Fe\n0.436673 0.436673 0.936814 Fe\n0.937543 0.937543 0.439505 Fe\n0.187758 0.187758 0.187758 Fe\n0.687496 0.687496 0.687496 Fe\n0.936814 0.436673 0.436673 Fe\n0.439505 0.937543 0.937543 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Fe"
],
"chemical_system": "Fe-Ti-Zr",
"density": 7.448864215989749,
"density_atomic": 0.0700635177080579,
"volume": 171.27315887851714,
"volume_molar": 8.595258926468949,
"formula_full": "Zr3 Ti1 Fe8",
"formula_reduced": "Zr3TiFe8",
"formula_anonymous": "AB3C8",
"energy": -104.65023331,
"energy_per_atom": -8.720852775833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.65023331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1644757,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.405000Z",
"spacegroup": 160
},
{
"id": "mp-1220461",
"created_at": "2022-09-04T14:43:10.531207Z",
"structure_string": "Nd1 Fe5 Co5 Mo2\n1.0\n0.021291 0.014020 4.725378\n-4.309087 4.303723 2.355964\n-4.345104 -4.318453 -2.394631\nNd Fe Co Mo\n1 5 5 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.641091 0.355695 0.640863 Fe\n0.358909 0.644305 0.359137 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.723309 0.778235 0.222011 Co\n0.276691 0.221765 0.777989 Co\n0.499686 0.771605 0.770598 Co\n0.500314 0.228395 0.229402 Co\n0.500000 0.000000 0.500000 Co\n0.002047 0.357678 0.359714 Mo\n0.997953 0.642322 0.640286 Mo\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Co",
"Mo"
],
"chemical_system": "Co-Fe-Mo-Nd",
"density": 8.585533372054424,
"density_atomic": 0.07386079042364618,
"volume": 176.00678147952925,
"volume_molar": 8.153366252186817,
"formula_full": "Nd1 Fe5 Co5 Mo2",
"formula_reduced": "NdFe5Co5Mo2",
"formula_anonymous": "AB2C5D5",
"energy": -104.41943172000002,
"energy_per_atom": -8.03226397846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.41943172000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0651308,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.639000Z",
"spacegroup": 2
},
{
"id": "mp-1097362",
"created_at": "2022-09-04T14:43:10.539401Z",
"structure_string": "Y2 Al1 Cd1\n1.0\n-6.127755 6.282223 8.908956\n6.127755 -6.282223 8.908956\n6.127755 6.282223 -8.908956\nY Al Cd\n2 1 1\ndirect\n0.000000 0.236779 0.236779 Y\n0.000000 0.763221 0.763221 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Y",
"density": 0.38396048582350745,
"density_atomic": 0.002915804786104413,
"volume": 1371.8339509772527,
"volume_molar": 206.53442880329888,
"formula_full": "Y2 Al1 Cd1",
"formula_reduced": "Y2AlCd",
"formula_anonymous": "ABC2",
"energy": -8.79656368,
"energy_per_atom": -2.19914092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.79656368,
"band_gap": 0.1453999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9984639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.017000Z",
"spacegroup": 71
},
{
"id": "mp-755453",
"created_at": "2022-09-04T14:43:10.551793Z",
"structure_string": "Mn4 P16\n1.0\n5.302744 2.561566 0.000000\n-5.302744 2.561566 0.000000\n0.000000 0.564515 11.070885\nMn P\n4 16\ndirect\n0.000000 0.500000 0.000000 Mn\n0.905969 0.094031 0.250000 Mn\n0.500000 0.000000 0.500000 Mn\n0.094031 0.905969 0.750000 Mn\n0.947833 0.442785 0.789520 P\n0.757389 0.639390 0.283031 P\n0.659733 0.454582 0.474481 P\n0.956508 0.137806 0.454522 P\n0.862194 0.043492 0.045478 P\n0.545418 0.340267 0.025519 P\n0.557215 0.052167 0.710480 P\n0.360610 0.242611 0.216969 P\n0.639390 0.757389 0.783031 P\n0.442785 0.947833 0.289520 P\n0.454582 0.659733 0.974481 P\n0.137806 0.956508 0.954522 P\n0.043492 0.862194 0.545478 P\n0.340267 0.545418 0.525519 P\n0.242611 0.360610 0.716969 P\n0.052167 0.557215 0.210480 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mn",
"P"
],
"chemical_system": "Mn-P",
"density": 3.9494664611506227,
"density_atomic": 0.0664984387541948,
"volume": 300.75894073134725,
"volume_molar": 9.056063379563353,
"formula_full": "Mn4 P16",
"formula_reduced": "MnP4",
"formula_anonymous": "AB4",
"energy": -129.67936708,
"energy_per_atom": -6.483968354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.67936708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0009463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.837000Z",
"spacegroup": 15
},
{
"id": "mp-1227438",
"created_at": "2022-09-04T14:43:10.563685Z",
"structure_string": "Bi4 Te3 Se3\n1.0\n20.707749 -2.152468 0.000000\n20.707749 2.152468 0.000000\n20.484011 0.000000 3.721465\nBi Te Se\n4 3 3\ndirect\n0.198561 0.198561 0.198561 Bi\n0.696249 0.696249 0.696249 Bi\n0.302128 0.302128 0.302128 Bi\n0.804811 0.804811 0.804811 Bi\n0.391874 0.391874 0.391874 Te\n0.606526 0.606526 0.606526 Te\n0.109120 0.109120 0.109120 Te\n0.999408 0.999408 0.999408 Se\n0.501769 0.501769 0.501769 Se\n0.889556 0.889556 0.889556 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.285814191713008,
"density_atomic": 0.030142999725243525,
"volume": 331.75198524204643,
"volume_molar": 19.978571525370462,
"formula_full": "Bi4 Te3 Se3",
"formula_reduced": "Bi4(TeSe)3",
"formula_anonymous": "A3B3C4",
"energy": -41.34821852,
"energy_per_atom": -4.134821852,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.66621852,
"band_gap": 0.3925,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.334000Z",
"spacegroup": 160
},
{
"id": "mp-971758",
"created_at": "2022-09-04T14:43:10.565113Z",
"structure_string": "Zn1 Ni3\n1.0\n3.569054 0.000000 0.000000\n0.000000 3.569054 0.000000\n0.000000 0.000000 3.569054\nZn Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Ni"
],
"chemical_system": "Ni-Zn",
"density": 8.82038320291228,
"density_atomic": 0.08798337850874276,
"volume": 45.46313255750377,
"volume_molar": 6.844634591295663,
"formula_full": "Zn1 Ni3",
"formula_reduced": "ZnNi3",
"formula_anonymous": "AB3",
"energy": -19.05404747,
"energy_per_atom": -4.7635118675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.05404747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2548998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.342000Z",
"spacegroup": 221
},
{
"id": "mp-1025406",
"created_at": "2022-09-04T14:43:10.573077Z",
"structure_string": "Li2 P6\n1.0\n2.117169 -3.667045 0.000000\n2.117169 3.667045 0.000000\n0.000000 0.000000 8.038605\nLi P\n2 6\ndirect\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.333333 0.666667 0.606895 P\n0.666667 0.333333 0.393105 P\n0.666667 0.333333 0.106895 P\n0.333333 0.666667 0.893105 P\n0.000000 0.000000 0.250000 P\n0.000000 0.000000 0.750000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Li",
"P"
],
"chemical_system": "Li-P",
"density": 2.657040329408825,
"density_atomic": 0.06409254790833183,
"volume": 124.81950337568067,
"volume_molar": 9.396007736520552,
"formula_full": "Li2 P6",
"formula_reduced": "LiP3",
"formula_anonymous": "AB3",
"energy": -33.46487916,
"energy_per_atom": -4.183109895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.46487916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.343000Z",
"spacegroup": 194
},
{
"id": "mp-1275487",
"created_at": "2022-09-04T14:43:10.566246Z",
"structure_string": "Ca4 Fe2 W2 O12\n1.0\n5.506536 0.000476 -0.001908\n0.000492 5.651901 -0.000270\n0.021944 -0.000374 7.920430\nCa Fe W O\n4 2 2 12\ndirect\n0.987569 0.056246 0.253305 Ca\n0.512363 0.556201 0.246753 Ca\n0.012448 0.943755 0.746696 Ca\n0.487647 0.443804 0.753250 Ca\n0.499967 0.999958 0.999976 Fe\n0.999918 0.499999 0.500001 Fe\n0.499999 0.000000 0.500001 W\n0.000008 0.500002 0.000003 W\n0.683099 0.284690 0.443124 O\n0.816848 0.784759 0.056817 O\n0.316913 0.715316 0.556878 O\n0.183168 0.215249 0.943183 O\n0.210919 0.192561 0.549471 O\n0.289019 0.692562 0.950574 O\n0.789095 0.807439 0.450533 O\n0.710997 0.307446 0.049429 O\n0.099604 0.465583 0.235071 O\n0.400316 0.965492 0.264977 O\n0.599703 0.034515 0.735025 O\n0.900405 0.534421 0.764933 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"W",
"O"
],
"chemical_system": "Ca-Fe-O-W",
"density": 5.602481592162521,
"density_atomic": 0.08113491659232928,
"volume": 246.50299575079435,
"volume_molar": 7.422378690864828,
"formula_full": "Ca4 Fe2 W2 O12",
"formula_reduced": "Ca2FeWO6",
"formula_anonymous": "ABC2D6",
"energy": -163.70442704,
"energy_per_atom": -8.185221352000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.07242704,
"band_gap": 3.0012000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0009437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.461000Z",
"spacegroup": 14
},
{
"id": "mp-26708",
"created_at": "2022-09-04T14:43:10.584614Z",
"structure_string": "V6 P12 O40\n1.0\n5.126540 -6.702892 0.000000\n5.126540 6.702892 0.000000\n0.000000 0.000000 12.345891\nV P O\n6 12 40\ndirect\n0.761790 0.238210 0.500000 V\n0.139621 0.139621 0.750000 V\n0.705435 0.294565 0.000000 V\n0.294565 0.705435 0.500000 V\n0.860379 0.860379 0.250000 V\n0.238210 0.761790 0.000000 V\n0.743301 0.149738 0.764560 P\n0.369586 0.092499 0.431126 P\n0.850262 0.256699 0.235440 P\n0.301160 0.179422 0.973524 P\n0.179422 0.301160 0.526476 P\n0.092499 0.369586 0.068874 P\n0.907501 0.630414 0.568874 P\n0.820578 0.698840 0.026476 P\n0.698840 0.820578 0.473524 P\n0.149738 0.743301 0.735440 P\n0.630414 0.907501 0.931126 P\n0.256699 0.850262 0.264560 P\n0.740032 0.004693 0.461437 O\n0.852123 0.074373 0.223630 O\n0.672753 0.055243 0.005643 O\n0.925627 0.147877 0.776370 O\n0.259968 0.995307 0.961437 O\n0.359520 0.032930 0.307179 O\n0.691915 0.159268 0.648130 O\n0.995307 0.259968 0.538563 O\n0.529142 0.218075 0.451623 O\n0.944757 0.327247 0.994357 O\n0.840732 0.308085 0.351870 O\n0.697609 0.274142 0.839011 O\n0.220612 0.177809 0.435948 O\n0.725858 0.302391 0.160989 O\n0.471576 0.263770 0.013495 O\n0.177809 0.220612 0.064052 O\n0.260437 0.255756 0.865661 O\n0.255756 0.260437 0.634339 O\n0.781925 0.470858 0.548377 O\n0.736230 0.528424 0.986505 O\n0.032930 0.359520 0.192821 O\n0.967070 0.640480 0.692821 O\n0.263770 0.471576 0.486505 O\n0.218075 0.529142 0.048377 O\n0.004693 0.740032 0.038563 O\n0.744244 0.739563 0.134339 O\n0.739563 0.744244 0.365661 O\n0.822191 0.779388 0.564052 O\n0.528424 0.736230 0.513495 O\n0.274142 0.697609 0.660989 O\n0.779388 0.822191 0.935948 O\n0.302391 0.725858 0.339011 O\n0.159268 0.691915 0.851870 O\n0.055243 0.672753 0.494357 O\n0.470858 0.781925 0.951623 O\n0.308085 0.840732 0.148130 O\n0.640480 0.967070 0.807179 O\n0.074373 0.852123 0.276370 O\n0.327247 0.944757 0.505643 O\n0.147877 0.925627 0.723630 O\n",
"nsites": 58,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 2.5780903150707344,
"density_atomic": 0.06835794327060266,
"volume": 848.4749134478848,
"volume_molar": 8.809716138124102,
"formula_full": "V6 P12 O40",
"formula_reduced": "V3(P3O10)2",
"formula_anonymous": "A3B6C20",
"energy": -469.95786716999993,
"energy_per_atom": -8.10272184775862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -432.27786717,
"band_gap": 0.2007000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.971000Z",
"spacegroup": 20
},
{
"id": "mp-1110746",
"created_at": "2022-09-04T14:43:10.587217Z",
"structure_string": "Rb2 Li1 Sb1 I6\n1.0\n0.000000 6.012260 6.012260\n6.012260 0.000000 6.012260\n6.012260 6.012260 0.000000\nRb Li Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.748396 0.251604 0.251604 I\n0.251604 0.251604 0.748396 I\n0.251604 0.748396 0.748396 I\n0.251604 0.748396 0.251604 I\n0.748396 0.251604 0.748396 I\n0.748396 0.748396 0.251604 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Sb",
"I"
],
"chemical_system": "I-Li-Rb-Sb",
"density": 4.053658737367012,
"density_atomic": 0.023006827921618657,
"volume": 434.65357475914243,
"volume_molar": 26.17545009036739,
"formula_full": "Rb2 Li1 Sb1 I6",
"formula_reduced": "Rb2LiSbI6",
"formula_anonymous": "ABC2D6",
"energy": -28.96066108,
"energy_per_atom": -2.8960661080000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.68666108,
"band_gap": 1.7214999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.835000Z",
"spacegroup": 225
},
{
"id": "mp-1218758",
"created_at": "2022-09-04T14:43:10.598761Z",
"structure_string": "Sr4 La2 Ga2 O10\n1.0\n-6.878752 0.024386 0.000000\n-0.024386 6.878752 0.000000\n-3.451569 3.451569 -5.727368\nSr La Ga O\n4 2 2 10\ndirect\n0.250000 0.250000 0.500000 Sr\n0.750000 0.750000 0.500000 Sr\n0.824154 0.675846 0.000000 Sr\n0.175846 0.324154 0.000000 Sr\n0.680819 0.180819 0.000000 La\n0.319181 0.819181 0.000000 La\n0.751747 0.251747 0.496506 Ga\n0.248253 0.748253 0.503494 Ga\n0.213860 0.998406 0.287734 O\n0.498406 0.713860 0.287734 O\n0.002877 0.502877 0.290345 O\n0.706778 0.206778 0.290345 O\n0.786140 0.001594 0.712266 O\n0.501594 0.286140 0.712266 O\n0.997123 0.497123 0.709655 O\n0.293222 0.793222 0.709655 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O-Sr",
"density": 5.684630009845903,
"density_atomic": 0.06642071868310949,
"volume": 270.99977773316874,
"volume_molar": 9.066660041321422,
"formula_full": "Sr4 La2 Ga2 O10",
"formula_reduced": "Sr2LaGaO5",
"formula_anonymous": "ABC2D5",
"energy": -128.16090412,
"energy_per_atom": -7.120050228888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.29090412,
"band_gap": 3.5964,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.871000Z",
"spacegroup": 69
},
{
"id": "mp-1185561",
"created_at": "2022-09-04T14:43:10.645197Z",
"structure_string": "Cs1 Sb1 O3\n1.0\n4.195010 0.000000 0.000000\n0.000000 4.195010 0.000000\n0.000000 0.000000 4.195010\nCs Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Sb\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": [
"Cs",
"Sb",
"O"
],
"chemical_system": "Cs-O-Sb",
"density": 6.807856048934401,
"density_atomic": 0.06772842916105117,
"volume": 73.8242428170085,
"volume_molar": 8.891599634888882,
"formula_full": "Cs1 Sb1 O3",
"formula_reduced": "CsSbO3",
"formula_anonymous": "ABC3",
"energy": -27.95287552,
"energy_per_atom": -5.590575104,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.89187552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.075000Z",
"spacegroup": 221
}
]
}