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=-updated_at&page=12090",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=12088",
"results": [
{
"id": "mp-1180233",
"created_at": "2022-09-04T14:39:36.352169Z",
"structure_string": "Na4 As8 O24\n1.0\n9.390592 0.000000 0.000000\n0.000000 5.648868 0.000000\n0.000000 1.658126 8.954655\nNa As O\n4 8 24\ndirect\n0.310004 0.397179 0.483299 Na\n0.810004 0.602821 0.016701 Na\n0.689996 0.602821 0.516701 Na\n0.189996 0.397179 0.983299 Na\n0.413932 0.815575 0.737243 As\n0.913932 0.184425 0.762757 As\n0.586068 0.184425 0.262757 As\n0.086068 0.815575 0.237243 As\n0.395941 0.866824 0.084736 As\n0.895941 0.133176 0.415264 As\n0.604059 0.133176 0.915264 As\n0.104059 0.866824 0.584736 As\n0.416533 0.169703 0.967946 O\n0.916533 0.830297 0.532054 O\n0.583467 0.830297 0.032054 O\n0.083467 0.169703 0.467946 O\n0.355630 0.573550 0.184582 O\n0.855630 0.426450 0.315418 O\n0.644370 0.426450 0.815418 O\n0.144370 0.573550 0.684582 O\n0.294754 0.974959 0.606839 O\n0.794754 0.025041 0.893161 O\n0.705246 0.025041 0.393161 O\n0.205246 0.974959 0.106839 O\n0.329883 0.743241 0.908200 O\n0.829883 0.256759 0.591800 O\n0.670117 0.256759 0.091800 O\n0.170117 0.743241 0.408200 O\n0.468841 0.576503 0.659593 O\n0.968841 0.423497 0.840407 O\n0.531159 0.423497 0.340407 O\n0.031159 0.576503 0.159593 O\n0.447732 0.980534 0.262605 O\n0.947732 0.019466 0.237395 O\n0.552268 0.019466 0.737395 O\n0.052268 0.980534 0.762605 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"As",
"O"
],
"chemical_system": "As-Na-O",
"density": 3.7590884561909594,
"density_atomic": 0.07578779019879328,
"volume": 475.01055124540636,
"volume_molar": 7.946056672458417,
"formula_full": "Na4 As8 O24",
"formula_reduced": "Na(AsO3)2",
"formula_anonymous": "AB2C6",
"energy": -218.63900499,
"energy_per_atom": -6.073305694166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -202.15100499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0023336,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.169000Z",
"spacegroup": 14
},
{
"id": "mp-1095515",
"created_at": "2022-09-04T14:39:32.407901Z",
"structure_string": "Cd2 C2 N2 Cl6\n1.0\n7.008551 0.000000 0.000000\n0.000000 6.860195 0.000000\n0.000000 2.625693 8.535480\nCd C N Cl\n2 2 2 6\ndirect\n0.500000 0.000000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.750000 0.527580 0.352650 C\n0.250000 0.472420 0.647350 C\n0.750000 0.361319 0.342909 N\n0.250000 0.638681 0.657091 N\n0.250000 0.241181 0.051317 Cl\n0.750000 0.758819 0.948683 Cl\n0.750000 0.756182 0.371327 Cl\n0.250000 0.243818 0.628673 Cl\n0.750000 0.275390 0.880901 Cl\n0.250000 0.724610 0.119099 Cl\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Cd",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cd-Cl-N",
"density": 1.9809590818641072,
"density_atomic": 0.029240756104869703,
"volume": 410.3861048244762,
"volume_molar": 20.595024076675923,
"formula_full": "Cd2 C2 N2 Cl6",
"formula_reduced": "CdCNCl3",
"formula_anonymous": "ABCD3",
"energy": -55.29280404,
"energy_per_atom": -4.60773367,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.88680404,
"band_gap": 2.9631000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.167000Z",
"spacegroup": 11
},
{
"id": "mp-18828",
"created_at": "2022-09-04T14:39:42.627815Z",
"structure_string": "Tl2 Fe2 O4\n1.0\n5.193389 -0.107541 3.208350\n1.735921 4.895859 3.208350\n-0.155625 -0.107541 6.102506\nO Fe Tl\n4 2 2\ndirect\n0.499999 0.000001 0.500001 O\n0.000001 0.500000 0.500000 O\n0.500001 0.500000 0.999999 O\n0.499999 0.500001 0.500001 O\n0.624630 0.624629 0.624631 Fe\n0.375369 0.375370 0.375371 Fe\n0.878309 0.878310 0.878311 Tl\n0.121690 0.121689 0.121691 Tl\n",
"nsites": 8,
"nelements": 3,
"elements": [
"O",
"Fe",
"Tl"
],
"chemical_system": "Fe-O-Tl",
"density": 6.065936068483751,
"density_atomic": 0.050002098858311375,
"volume": 159.99328393532497,
"volume_molar": 12.04377595641467,
"formula_full": "Tl2 Fe2 O4",
"formula_reduced": "TlFeO2",
"formula_anonymous": "ABC2",
"energy": -50.79400611,
"energy_per_atom": -6.34925076375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.53400611,
"band_gap": 1.0193,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 10.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.167000Z",
"spacegroup": 227
},
{
"id": "mp-641845",
"created_at": "2022-09-04T14:39:25.044025Z",
"structure_string": "Yb7 In1 Co4 Ge12\n1.0\n10.337056 0.000000 0.000000\n0.000000 10.337056 0.000000\n0.000000 0.000000 4.297563\nYb In Co Ge\n7 1 4 12\ndirect\n0.325516 0.675451 0.500000 Yb\n0.324549 0.325516 0.500000 Yb\n0.674484 0.324549 0.500000 Yb\n0.675451 0.674484 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 In\n0.116137 0.721539 0.000000 Co\n0.883863 0.278461 0.000000 Co\n0.721539 0.883863 0.000000 Co\n0.278461 0.116137 0.000000 Co\n0.193020 0.067377 0.500000 Ge\n0.513453 0.788689 0.000000 Ge\n0.067377 0.806980 0.500000 Ge\n0.788689 0.486547 0.000000 Ge\n0.211311 0.513453 0.000000 Ge\n0.284963 0.886697 0.000000 Ge\n0.113303 0.284963 0.000000 Ge\n0.932623 0.193020 0.500000 Ge\n0.886697 0.715037 0.000000 Ge\n0.715037 0.113303 0.000000 Ge\n0.806980 0.932623 0.500000 Ge\n0.486547 0.211311 0.000000 Ge\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"In",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-In-Yb",
"density": 8.799669921000289,
"density_atomic": 0.05226311026157691,
"volume": 459.2149200436021,
"volume_molar": 11.522737031644656,
"formula_full": "Yb7 In1 Co4 Ge12",
"formula_reduced": "Yb7In(CoGe3)4",
"formula_anonymous": "AB4C7D12",
"energy": -110.73485659000002,
"energy_per_atom": -4.613952357916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.73485659000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0130473,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.167000Z",
"spacegroup": 83
},
{
"id": "mp-1356526",
"created_at": "2022-09-04T14:39:19.775262Z",
"structure_string": "Fe6 P6 O26\n1.0\n6.386446 0.000000 0.000000\n0.000000 7.615265 0.000000\n0.000000 1.645447 10.303203\nFe P O\n6 6 26\ndirect\n0.250000 0.638436 0.191811 Fe\n0.750000 0.361564 0.808189 Fe\n0.250000 0.213009 0.439217 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.786991 0.560783 Fe\n0.000000 0.000000 0.000000 Fe\n0.250000 0.783346 0.481962 P\n0.750000 0.216654 0.518038 P\n0.250000 0.256816 0.764353 P\n0.750000 0.743184 0.235647 P\n0.750000 0.692538 0.883963 P\n0.250000 0.307462 0.116037 P\n0.750000 0.654261 0.741025 O\n0.554152 0.255626 0.433515 O\n0.250000 0.205742 0.627577 O\n0.552097 0.794760 0.912477 O\n0.750000 0.350555 0.615378 O\n0.750000 0.120521 0.906655 O\n0.250000 0.649445 0.384622 O\n0.052097 0.205240 0.087523 O\n0.250000 0.975035 0.406871 O\n0.750000 0.024965 0.593129 O\n0.054729 0.366551 0.785549 O\n0.250000 0.879479 0.093345 O\n0.554729 0.633449 0.214451 O\n0.750000 0.498953 0.956144 O\n0.750000 0.794258 0.372423 O\n0.447903 0.205240 0.087523 O\n0.945848 0.255626 0.433515 O\n0.445848 0.744374 0.566485 O\n0.445271 0.366551 0.785549 O\n0.250000 0.345739 0.258975 O\n0.750000 0.916141 0.130643 O\n0.250000 0.083859 0.869357 O\n0.945271 0.633449 0.214451 O\n0.947903 0.794760 0.912477 O\n0.054152 0.744374 0.566485 O\n0.250000 0.501047 0.043856 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.1047340955311378,
"density_atomic": 0.07583454315834878,
"volume": 501.0909068266273,
"volume_molar": 7.941157827542091,
"formula_full": "Fe6 P6 O26",
"formula_reduced": "Fe3P3O13",
"formula_anonymous": "A3B3C13",
"energy": -292.17248801000005,
"energy_per_atom": -7.688749684473685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.77448801,
"band_gap": 0.0271999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.0028997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.164000Z",
"spacegroup": 11
},
{
"id": "mp-867291",
"created_at": "2022-09-04T14:39:18.932427Z",
"structure_string": "Tb2 Ir1 Ru1\n1.0\n0.000000 3.430250 3.430250\n3.430250 0.000000 3.430250\n3.430250 3.430250 0.000000\nTb Ir Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ir",
"Ru"
],
"chemical_system": "Ir-Ru-Tb",
"density": 12.571319328154145,
"density_atomic": 0.04955102888217523,
"volume": 80.72486263628124,
"volume_molar": 12.15341214068376,
"formula_full": "Tb2 Ir1 Ru1",
"formula_reduced": "Tb2IrRu",
"formula_anonymous": "ABC2",
"energy": -29.6927424,
"energy_per_atom": -7.4231856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.6927424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.164000Z",
"spacegroup": 225
},
{
"id": "mp-1206157",
"created_at": "2022-09-04T14:39:20.441514Z",
"structure_string": "Cu7 Si2\n1.0\n2.042384 -3.537513 0.000000\n2.042384 3.537513 0.000000\n0.000000 0.000000 7.587394\nCu Si\n7 2\ndirect\n0.333333 0.666667 0.154862 Cu\n0.666667 0.333333 0.845138 Cu\n0.333333 0.666667 0.495758 Cu\n0.666667 0.333333 0.504242 Cu\n0.000000 0.000000 0.330470 Cu\n0.000000 0.000000 0.669530 Cu\n0.000000 0.000000 0.000000 Cu\n0.333333 0.666667 0.808705 Si\n0.666667 0.333333 0.191295 Si\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Cu",
"Si"
],
"chemical_system": "Cu-Si",
"density": 7.587918869967147,
"density_atomic": 0.08208889939295425,
"volume": 109.637235564794,
"volume_molar": 7.336120723427418,
"formula_full": "Cu7 Si2",
"formula_reduced": "Cu7Si2",
"formula_anonymous": "A2B7",
"energy": -39.46802512,
"energy_per_atom": -4.385336124444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.61002512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.162000Z",
"spacegroup": 164
},
{
"id": "mp-1178806",
"created_at": "2022-09-04T14:39:40.106568Z",
"structure_string": "V1 Cd1 Cu3 Se4\n1.0\n5.871982 0.000000 0.000000\n0.000000 5.871982 0.000000\n0.000000 0.000000 5.871982\nV Cd Cu Se\n1 1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.232499 0.232499 0.232499 Se\n0.767501 0.767501 0.232499 Se\n0.232499 0.767501 0.767501 Se\n0.767501 0.232499 0.767501 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"V",
"Cd",
"Cu",
"Se"
],
"chemical_system": "Cd-Cu-Se-V",
"density": 5.493635861296899,
"density_atomic": 0.04445169876127173,
"volume": 202.46695291297155,
"volume_molar": 13.547605441002297,
"formula_full": "V1 Cd1 Cu3 Se4",
"formula_reduced": "VCdCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -40.64935267,
"energy_per_atom": -4.516594741111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.76135267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.162000Z",
"spacegroup": 215
},
{
"id": "mp-1221381",
"created_at": "2022-09-04T14:39:29.076394Z",
"structure_string": "Na6 Th12 Zn2 F58\n1.0\n5.037624 8.809175 0.000000\n-5.037624 8.809175 0.000000\n0.000000 0.133359 13.323074\nNa Th Zn F\n6 12 2 58\ndirect\n0.006660 0.005320 0.732635 Na\n0.994680 0.993340 0.267365 Na\n0.336311 0.334127 0.409860 Na\n0.665873 0.663689 0.590140 Na\n0.331036 0.334141 0.910280 Na\n0.665859 0.668964 0.089720 Na\n0.660867 0.925480 0.849123 Th\n0.398799 0.671821 0.850860 Th\n0.924087 0.399267 0.853218 Th\n0.328179 0.601201 0.149140 Th\n0.074520 0.339133 0.150877 Th\n0.600733 0.075913 0.146782 Th\n0.922115 0.680543 0.356515 Th\n0.397607 0.925024 0.350011 Th\n0.678187 0.397894 0.351718 Th\n0.074976 0.602393 0.649989 Th\n0.319457 0.077885 0.643485 Th\n0.602106 0.321813 0.648282 Th\n0.004240 0.995760 0.000000 Zn\n0.999905 0.000095 0.500000 Zn\n0.306515 0.561931 0.968089 F\n0.132423 0.295038 0.971812 F\n0.559648 0.130609 0.964904 F\n0.704962 0.867577 0.028188 F\n0.438069 0.693485 0.031911 F\n0.869391 0.440352 0.035096 F\n0.865554 0.696905 0.537278 F\n0.438434 0.870317 0.532149 F\n0.692574 0.437776 0.533414 F\n0.129683 0.561566 0.467851 F\n0.303095 0.134446 0.462722 F\n0.562224 0.307426 0.466586 F\n0.466877 0.412015 0.803193 F\n0.118460 0.463440 0.805114 F\n0.411957 0.117827 0.801546 F\n0.536560 0.881540 0.194886 F\n0.587985 0.533123 0.196807 F\n0.882173 0.588043 0.198454 F\n0.191084 0.687119 0.769560 F\n0.118244 0.191007 0.767957 F\n0.699864 0.111787 0.778444 F\n0.808993 0.881756 0.232044 F\n0.312881 0.808916 0.230440 F\n0.888213 0.300136 0.221556 F\n0.816637 0.106553 0.594574 F\n0.072914 0.817084 0.594114 F\n0.105871 0.077354 0.591711 F\n0.182916 0.927086 0.405886 F\n0.893447 0.183363 0.405426 F\n0.922646 0.894129 0.408289 F\n0.338947 0.487044 0.616033 F\n0.171317 0.342250 0.613646 F\n0.489377 0.170936 0.617583 F\n0.657750 0.828683 0.386354 F\n0.512956 0.661053 0.383967 F\n0.829064 0.510623 0.382417 F\n0.824727 0.660731 0.887562 F\n0.504464 0.831087 0.888076 F\n0.659566 0.512936 0.886199 F\n0.168913 0.495536 0.111924 F\n0.339269 0.175273 0.112438 F\n0.487064 0.340434 0.113801 F\n0.587308 0.877515 0.697371 F\n0.532717 0.583579 0.697748 F\n0.879381 0.537168 0.700723 F\n0.416421 0.467283 0.302252 F\n0.122485 0.412692 0.302629 F\n0.462832 0.120619 0.299277 F\n0.887920 0.814047 0.752568 F\n0.311496 0.881085 0.733397 F\n0.810131 0.307629 0.737089 F\n0.118915 0.688504 0.266603 F\n0.185953 0.112080 0.247432 F\n0.692371 0.189869 0.262911 F\n0.169136 0.891667 0.904643 F\n0.928560 0.179456 0.920522 F\n0.108333 0.830864 0.095357 F\n0.820544 0.071440 0.079478 F\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Na",
"Th",
"Zn",
"F"
],
"chemical_system": "F-Na-Th-Zn",
"density": 5.834952444934592,
"density_atomic": 0.0659628148253759,
"volume": 1182.4844074118164,
"volume_molar": 9.129599420434804,
"formula_full": "Na6 Th12 Zn2 F58",
"formula_reduced": "Na3Th6ZnF29",
"formula_anonymous": "AB3C6D29",
"energy": -531.6812154400001,
"energy_per_atom": -6.81642583897436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -504.88521544,
"band_gap": 5.1856,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.161000Z",
"spacegroup": 5
},
{
"id": "mp-1026531",
"created_at": "2022-09-04T14:39:07.528696Z",
"structure_string": "Mg14 Nb1 W1\n1.0\n6.307828 0.136677 0.000000\n-3.035548 5.257724 0.000000\n0.000000 0.000000 10.063746\nMg Nb W\n14 1 1\ndirect\n0.166658 0.333329 0.625000 Mg\n0.165147 0.832573 0.625000 Mg\n0.661023 0.329087 0.125000 Mg\n0.663400 0.332526 0.625000 Mg\n0.661023 0.831935 0.125000 Mg\n0.663400 0.830873 0.625000 Mg\n0.327571 0.161468 0.363836 Mg\n0.327571 0.161468 0.886164 Mg\n0.327571 0.666104 0.363836 Mg\n0.327571 0.666104 0.886164 Mg\n0.847045 0.173523 0.371714 Mg\n0.847045 0.173523 0.878286 Mg\n0.850533 0.675267 0.364982 Mg\n0.850533 0.675267 0.885018 Mg\n0.156535 0.328267 0.125000 Nb\n0.157375 0.828687 0.125000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"W"
],
"chemical_system": "Mg-Nb-W",
"density": 3.031860432248217,
"density_atomic": 0.04734601125236353,
"volume": 337.93765465726057,
"volume_molar": 12.71942577781433,
"formula_full": "Mg14 Nb1 W1",
"formula_reduced": "Mg14NbW",
"formula_anonymous": "ABC14",
"energy": -42.67924032,
"energy_per_atom": -2.66745252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.67924032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.157000Z",
"spacegroup": 38
},
{
"id": "mp-7709",
"created_at": "2022-09-04T14:39:33.701988Z",
"structure_string": "Zn4 F8\n1.0\n4.761767 0.000000 0.000000\n0.000000 5.248749 0.000000\n0.000000 0.000000 5.782718\nZn F\n4 8\ndirect\n0.500000 0.750000 0.661127 Zn\n0.000000 0.250000 0.838873 Zn\n0.500000 0.250000 0.338873 Zn\n0.000000 0.750000 0.161127 Zn\n0.729746 0.080632 0.613734 F\n0.229746 0.919368 0.886266 F\n0.770254 0.580632 0.886266 F\n0.270254 0.419368 0.613734 F\n0.729746 0.580632 0.386266 F\n0.229746 0.419368 0.113734 F\n0.770254 0.080632 0.113734 F\n0.270254 0.919368 0.386266 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zn",
"F"
],
"chemical_system": "F-Zn",
"density": 4.752236599195301,
"density_atomic": 0.08302813564751949,
"volume": 144.52932016857235,
"volume_molar": 7.25313258335208,
"formula_full": "Zn4 F8",
"formula_reduced": "ZnF2",
"formula_anonymous": "AB2",
"energy": -51.49817333,
"energy_per_atom": -4.291514444166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.80217333,
"band_gap": 3.5604,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.155000Z",
"spacegroup": 60
},
{
"id": "mp-1224966",
"created_at": "2022-09-04T14:39:39.704708Z",
"structure_string": "Fe1 Co1 Se2\n1.0\n1.790340 -3.100961 0.000000\n1.790340 3.100961 0.000000\n0.000000 0.000000 5.237414\nFe Co Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.247899 Se\n0.666667 0.333333 0.752101 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Fe",
"Co",
"Se"
],
"chemical_system": "Co-Fe-Se",
"density": 7.786685627877221,
"density_atomic": 0.06878302501584312,
"volume": 58.153883157634624,
"volume_molar": 8.755271752896725,
"formula_full": "Fe1 Co1 Se2",
"formula_reduced": "FeCoSe2",
"formula_anonymous": "ABC2",
"energy": -23.81378582,
"energy_per_atom": -5.953446455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.86978582,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.42376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.155000Z",
"spacegroup": 164
}
]
}