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=nelements&page=1730",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=1728",
"results": [
{
"id": "mp-1105548",
"created_at": "2022-09-04T14:43:59.820739Z",
"structure_string": "Pr10 Bi6\n1.0\n4.806756 -8.325546 0.000000\n4.806756 8.325546 0.000000\n0.000000 0.000000 6.626044\nPr Bi\n10 6\ndirect\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n0.333333 0.666667 0.500000 Pr\n0.666667 0.333333 0.500000 Pr\n0.751556 0.751556 0.750000 Pr\n0.248444 0.000000 0.750000 Pr\n0.000000 0.248444 0.750000 Pr\n0.248444 0.248444 0.250000 Pr\n0.751556 0.000000 0.250000 Pr\n0.000000 0.751556 0.250000 Pr\n0.386987 0.386987 0.750000 Bi\n0.613013 0.000000 0.750000 Bi\n0.000000 0.613013 0.750000 Bi\n0.613013 0.613013 0.250000 Bi\n0.386987 0.000000 0.250000 Bi\n0.000000 0.386987 0.250000 Bi\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pr",
"Bi"
],
"chemical_system": "Bi-Pr",
"density": 8.338049098827527,
"density_atomic": 0.0301696915287926,
"volume": 530.3335628980601,
"volume_molar": 19.960896034527696,
"formula_full": "Pr10 Bi6",
"formula_reduced": "Pr5Bi3",
"formula_anonymous": "A3B5",
"energy": -83.59836733,
"energy_per_atom": -5.224897958125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.59836733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0203296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.634000Z",
"spacegroup": 193
},
{
"id": "mp-22871",
"created_at": "2022-09-04T14:43:52.594122Z",
"structure_string": "Zr2 Cl6\n1.0\n3.481843 -6.030728 0.000000\n3.481843 6.030728 0.000000\n0.000000 0.000000 6.098213\nZr Cl\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703659 0.000000 0.750000 Cl\n0.703659 0.703659 0.250000 Cl\n0.296341 0.000000 0.250000 Cl\n0.296341 0.296341 0.750000 Cl\n0.000000 0.703659 0.750000 Cl\n0.000000 0.296341 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Cl"
],
"chemical_system": "Cl-Zr",
"density": 2.5622243704138405,
"density_atomic": 0.031237658751343645,
"volume": 256.1011394509805,
"volume_molar": 19.278463882127422,
"formula_full": "Zr2 Cl6",
"formula_reduced": "ZrCl3",
"formula_anonymous": "AB3",
"energy": -45.81621639,
"energy_per_atom": -5.72702704875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.13221639,
"band_gap": 1.5005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.015000Z",
"spacegroup": 193
},
{
"id": "mp-1102036",
"created_at": "2022-09-04T14:44:00.209695Z",
"structure_string": "Ni6 P6\n1.0\n2.956823 -5.081185 0.000000\n2.956823 5.081185 0.000000\n0.000000 0.000000 4.969488\nNi P\n6 6\ndirect\n0.590499 0.297265 0.885482 Ni\n0.297265 0.590499 0.885482 Ni\n0.409501 0.702735 0.385482 Ni\n0.702735 0.409501 0.385482 Ni\n0.946251 0.946251 0.357333 Ni\n0.053749 0.053749 0.857333 Ni\n0.346847 0.025272 0.550941 P\n0.025272 0.346847 0.550941 P\n0.653153 0.974728 0.050941 P\n0.974728 0.653153 0.050941 P\n0.688306 0.688306 0.698521 P\n0.311694 0.311694 0.198521 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ni",
"P"
],
"chemical_system": "Ni-P",
"density": 5.982762946258782,
"density_atomic": 0.08036172842970889,
"volume": 149.32481212740723,
"volume_molar": 7.493791979931679,
"formula_full": "Ni6 P6",
"formula_reduced": "NiP",
"formula_anonymous": "AB",
"energy": -72.11694022,
"energy_per_atom": -6.009745018333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.11694022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0077171,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.786000Z",
"spacegroup": 36
},
{
"id": "mp-1186769",
"created_at": "2022-09-04T14:43:56.007979Z",
"structure_string": "Sr1 Y1\n1.0\n1.914037 -3.315209 0.000000\n1.914037 3.315209 0.000000\n0.000000 0.000000 6.379694\nSr Y\n1 1\ndirect\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Y"
],
"chemical_system": "Sr-Y",
"density": 3.620481421143926,
"density_atomic": 0.024702386358290564,
"volume": 80.96383770342756,
"volume_molar": 24.378781355991794,
"formula_full": "Sr1 Y1",
"formula_reduced": "SrY",
"formula_anonymous": "AB",
"energy": -7.69889965,
"energy_per_atom": -3.849449825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.69889965,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7383646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.947000Z",
"spacegroup": 187
},
{
"id": "mp-558552",
"created_at": "2022-09-04T14:44:00.845907Z",
"structure_string": "Ta12 S2\n1.0\n5.224710 0.004216 -0.773057\n-2.955511 6.267934 -3.056530\n0.001204 -0.000836 7.579011\nTa S\n12 2\ndirect\n0.558076 0.775105 0.590434 Ta\n0.441924 0.224895 0.409566 Ta\n0.002747 0.371683 0.295208 Ta\n0.500000 0.000000 0.000000 Ta\n0.149416 0.721034 0.150315 Ta\n0.228779 0.064362 0.691924 Ta\n0.527799 0.575152 0.863203 Ta\n0.771221 0.935638 0.308076 Ta\n0.850584 0.278966 0.849685 Ta\n0.997253 0.628317 0.704792 Ta\n0.000000 0.000000 0.000000 Ta\n0.472201 0.424848 0.136797 Ta\n0.074879 0.299623 0.584593 S\n0.925121 0.700377 0.415407 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 14.95122636429761,
"density_atomic": 0.056387156563954405,
"volume": 248.28348959432236,
"volume_molar": 10.679986590864319,
"formula_full": "Ta12 S2",
"formula_reduced": "Ta6S",
"formula_anonymous": "AB6",
"energy": -155.2664142,
"energy_per_atom": -11.090458157142859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.2604142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013064,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.425000Z",
"spacegroup": 2
},
{
"id": "mp-1218055",
"created_at": "2022-09-04T14:44:00.745025Z",
"structure_string": "Ta7 S12\n1.0\n4.994023 2.883298 0.000000\n-4.994023 2.883298 0.000000\n0.000000 1.926326 12.647956\nTa S\n7 12\ndirect\n0.084037 0.084037 0.748043 Ta\n0.416750 0.750154 0.749739 Ta\n0.750154 0.416750 0.749739 Ta\n0.249846 0.583250 0.250261 Ta\n0.583250 0.249846 0.250261 Ta\n0.915963 0.915963 0.251957 Ta\n0.000000 0.000000 0.000000 Ta\n0.291196 0.291196 0.123626 S\n0.626404 0.958837 0.123608 S\n0.958837 0.626404 0.123608 S\n0.041163 0.373596 0.876392 S\n0.373596 0.041163 0.876392 S\n0.708804 0.708804 0.876374 S\n0.209899 0.209899 0.374059 S\n0.540499 0.875211 0.374031 S\n0.875211 0.540499 0.374031 S\n0.124789 0.459501 0.625969 S\n0.459501 0.124789 0.625969 S\n0.790101 0.790101 0.625941 S\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 7.5286126643077385,
"density_atomic": 0.052163075634191716,
"volume": 364.24232599402035,
"volume_molar": 11.544834515188407,
"formula_full": "Ta7 S12",
"formula_reduced": "Ta7S12",
"formula_anonymous": "A7B12",
"energy": -158.93744775,
"energy_per_atom": -8.365128828947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.90144775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5825787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.972000Z",
"spacegroup": 12
},
{
"id": "mp-978502",
"created_at": "2022-09-04T14:44:21.031937Z",
"structure_string": "Sm1 As3\n1.0\n4.413215 0.000000 0.000000\n0.000000 4.413215 0.000000\n0.000000 0.000000 4.413215\nSm As\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.500000 0.500000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"As"
],
"chemical_system": "As-Sm",
"density": 7.247022630010926,
"density_atomic": 0.0465366090260235,
"volume": 85.95383470598772,
"volume_molar": 12.940652286530781,
"formula_full": "Sm1 As3",
"formula_reduced": "SmAs3",
"formula_anonymous": "AB3",
"energy": -20.79611072,
"energy_per_atom": -5.19902768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.79611072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.426000Z",
"spacegroup": 221
},
{
"id": "mp-1102024",
"created_at": "2022-09-04T14:44:00.126284Z",
"structure_string": "Yb4 Mn8\n1.0\n2.756364 -4.774162 0.000000\n2.756364 4.774162 0.000000\n0.000000 0.000000 8.893516\nYb Mn\n4 8\ndirect\n0.333333 0.666667 0.437505 Yb\n0.666667 0.333333 0.562495 Yb\n0.666667 0.333333 0.937505 Yb\n0.333333 0.666667 0.062495 Yb\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.843927 0.156073 0.250000 Mn\n0.843927 0.687853 0.250000 Mn\n0.312147 0.156073 0.250000 Mn\n0.156073 0.843927 0.750000 Mn\n0.156073 0.312147 0.750000 Mn\n0.687853 0.843927 0.750000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Mn"
],
"chemical_system": "Mn-Yb",
"density": 8.028409736739052,
"density_atomic": 0.05126772414779084,
"volume": 234.06539298306433,
"volume_molar": 11.746456196572746,
"formula_full": "Yb4 Mn8",
"formula_reduced": "YbMn2",
"formula_anonymous": "AB2",
"energy": -74.71573141,
"energy_per_atom": -6.226310950833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.71573141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.6382256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.471000Z",
"spacegroup": 194
},
{
"id": "mp-1095682",
"created_at": "2022-09-04T14:44:00.120262Z",
"structure_string": "Fe8 Mo4\n1.0\n-2.338497 -4.048504 0.000000\n-2.338497 4.048504 0.000000\n0.000000 0.000000 -7.781286\nFe Mo\n8 4\ndirect\n0.829304 0.658798 0.750000 Fe\n0.829345 0.170655 0.750000 Fe\n0.341202 0.170696 0.750000 Fe\n0.170696 0.341202 0.250000 Fe\n0.170655 0.829345 0.250000 Fe\n0.658798 0.829304 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666715 0.333285 0.068217 Mo\n0.333285 0.666715 0.931783 Mo\n0.333285 0.666715 0.568217 Mo\n0.666715 0.333285 0.431783 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Fe",
"Mo"
],
"chemical_system": "Fe-Mo",
"density": 9.360228036027914,
"density_atomic": 0.08144576043655287,
"volume": 147.3373191640605,
"volume_molar": 7.394050626725147,
"formula_full": "Fe8 Mo4",
"formula_reduced": "Fe2Mo",
"formula_anonymous": "AB2",
"energy": -111.16407481,
"energy_per_atom": -9.263672900833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.16407481,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5223701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.799000Z",
"spacegroup": 194
},
{
"id": "mp-1182416",
"created_at": "2022-09-04T14:44:10.471731Z",
"structure_string": "Co2 F6\n1.0\n1.342722 4.267235 8.231525\n-3.051849 4.140741 5.156254\n-1.456830 -4.216956 -2.907631\nCo F\n2 6\ndirect\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.516678 0.355751 0.612831 F\n0.135784 0.250000 0.271568 F\n0.096153 0.144249 0.612831 F\n0.483322 0.644249 0.387169 F\n0.864216 0.750000 0.728432 F\n0.903847 0.855751 0.387169 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.9007671260678114,
"density_atomic": 0.08105336666827209,
"volume": 98.7004035593201,
"volume_molar": 7.429846541287883,
"formula_full": "Co2 F6",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -41.91406173,
"energy_per_atom": -5.23925771625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.86606173,
"band_gap": 0.1612000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999603,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.249000Z",
"spacegroup": 15
},
{
"id": "mp-2072",
"created_at": "2022-09-04T14:44:01.493916Z",
"structure_string": "K4 Te4\n1.0\n2.829350 -4.900578 0.000000\n2.829350 4.900578 0.000000\n0.000000 0.000000 12.447902\nK Te\n4 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.250000 K\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.636039 Te\n0.666667 0.333333 0.136039 Te\n0.666667 0.333333 0.363961 Te\n0.333333 0.666667 0.863961 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Te"
],
"chemical_system": "K-Te",
"density": 3.207599395777941,
"density_atomic": 0.02317553936631762,
"volume": 345.1915346413414,
"volume_molar": 25.98490013463217,
"formula_full": "K4 Te4",
"formula_reduced": "KTe",
"formula_anonymous": "AB",
"energy": -25.41331162,
"energy_per_atom": -3.1766639525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.72531162,
"band_gap": 0.6708999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005735,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.902000Z",
"spacegroup": 194
},
{
"id": "mp-1075666",
"created_at": "2022-09-04T14:43:55.192847Z",
"structure_string": "Mg10 Si18\n1.0\n-7.587033 0.000000 0.000000\n3.743365 6.659976 0.000000\n-0.197723 -2.116517 -9.781474\nMg Si\n10 18\ndirect\n0.993754 0.306531 0.297313 Mg\n0.136827 0.489002 0.610824 Mg\n0.313862 0.789953 0.385866 Mg\n0.495803 0.353943 0.667547 Mg\n0.447058 0.460555 0.394052 Mg\n0.910819 0.709859 0.550880 Mg\n0.709094 0.236653 0.893334 Mg\n0.096525 0.640746 0.057178 Mg\n0.232833 0.024921 0.931677 Mg\n0.577220 0.948648 0.131314 Mg\n0.616448 0.579009 0.969053 Si\n0.007142 0.206790 0.021008 Si\n0.331485 0.922860 0.674112 Si\n0.759147 0.864501 0.351623 Si\n0.706632 0.135613 0.609720 Si\n0.289876 0.052983 0.249138 Si\n0.260727 0.419649 0.866748 Si\n0.839305 0.587945 0.264857 Si\n0.026933 0.134399 0.691889 Si\n0.110427 0.098475 0.455193 Si\n0.911481 0.878201 0.129971 Si\n0.806988 0.886503 0.825172 Si\n0.899580 0.621421 0.812957 Si\n0.342146 0.520286 0.153298 Si\n0.436843 0.783314 0.852386 Si\n0.525670 0.332013 0.130949 Si\n0.645964 0.241141 0.409221 Si\n0.569491 0.774225 0.612892 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5150324714054073,
"density_atomic": 0.056651196823921765,
"volume": 494.25257664065106,
"volume_molar": 10.630209241152459,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.85285963,
"energy_per_atom": -3.8518878439285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.13085963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.786000Z",
"spacegroup": 1
}
]
}