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=10195",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=10193",
"results": [
{
"id": "mp-753860",
"created_at": "2022-09-04T14:46:21.211112Z",
"structure_string": "Si2 Bi6 O14\n1.0\n4.121607 -7.138832 0.000000\n4.121607 7.138832 0.000000\n0.000000 0.000000 5.351784\nSi Bi O\n2 6 14\ndirect\n0.666667 0.333333 0.324219 Si\n0.333333 0.666667 0.824219 Si\n0.342845 0.246471 0.793976 Bi\n0.753529 0.096374 0.793976 Bi\n0.096374 0.342845 0.293976 Bi\n0.903626 0.657155 0.793976 Bi\n0.246471 0.903626 0.293976 Bi\n0.657155 0.753529 0.293976 Bi\n0.244306 0.161925 0.176117 O\n0.531450 0.122390 0.449885 O\n0.838075 0.082381 0.176117 O\n0.666667 0.333333 0.015393 O\n0.590940 0.468550 0.449885 O\n0.877610 0.409060 0.449885 O\n0.082381 0.244306 0.676117 O\n0.917619 0.755694 0.176117 O\n0.122390 0.590940 0.949885 O\n0.409060 0.531450 0.949885 O\n0.333333 0.666667 0.515393 O\n0.161925 0.917619 0.676117 O\n0.468550 0.877610 0.949885 O\n0.755694 0.838075 0.676117 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 8.088442152307234,
"density_atomic": 0.06985546174441953,
"volume": 314.9360042954335,
"volume_molar": 8.620858855723023,
"formula_full": "Si2 Bi6 O14",
"formula_reduced": "SiBi3O7",
"formula_anonymous": "AB3C7",
"energy": -147.15395292,
"energy_per_atom": -6.688816041818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.53595292,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.998703,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.784000Z",
"spacegroup": 173
},
{
"id": "mp-753861",
"created_at": "2022-09-04T14:47:20.658409Z",
"structure_string": "Li4 V2 F12\n1.0\n4.684445 0.000000 0.000000\n0.000000 4.684445 0.000000\n0.000000 0.000000 9.152369\nLi V F\n4 2 12\ndirect\n0.000000 0.000000 0.333833 Li\n0.000000 0.000000 0.666167 Li\n0.500000 0.500000 0.166167 Li\n0.500000 0.500000 0.833833 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.193445 0.806555 0.154363 F\n0.193445 0.806555 0.845637 F\n0.221337 0.778663 0.500000 F\n0.278663 0.278663 0.000000 F\n0.306555 0.306555 0.345637 F\n0.306555 0.306555 0.654363 F\n0.693445 0.693445 0.345637 F\n0.693445 0.693445 0.654363 F\n0.721337 0.721337 0.000000 F\n0.778663 0.221337 0.500000 F\n0.806555 0.193445 0.845637 F\n0.806555 0.193445 0.154363 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.9568589307369115,
"density_atomic": 0.08962366406799792,
"volume": 200.83981376105433,
"volume_molar": 6.7193646037847445,
"formula_full": "Li4 V2 F12",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy": -105.46105146000002,
"energy_per_atom": -5.858947303333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.51705146,
"band_gap": 2.1121,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9963278,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.625000Z",
"spacegroup": 136
},
{
"id": "mp-753862",
"created_at": "2022-09-04T14:41:58.727868Z",
"structure_string": "Li4 Fe2 F10\n1.0\n1.941462 -4.961255 0.000000\n1.941462 4.961255 0.000000\n0.000000 0.000000 10.087180\nLi Fe F\n4 2 10\ndirect\n0.133597 0.866403 0.943205 Li\n0.133597 0.866403 0.556795 Li\n0.866403 0.133597 0.056795 Li\n0.866403 0.133597 0.443205 Li\n0.191554 0.808446 0.250000 Fe\n0.808446 0.191554 0.750000 Fe\n0.050973 0.949027 0.120211 F\n0.050973 0.949027 0.379789 F\n0.688442 0.311558 0.907520 F\n0.688442 0.311558 0.592480 F\n0.263829 0.736171 0.750000 F\n0.736171 0.263829 0.250000 F\n0.311558 0.688442 0.407520 F\n0.311558 0.688442 0.092480 F\n0.949027 0.050973 0.620211 F\n0.949027 0.050973 0.879789 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.815157010475323,
"density_atomic": 0.08233789732907038,
"volume": 194.3212119694367,
"volume_molar": 7.3139355695859045,
"formula_full": "Li4 Fe2 F10",
"formula_reduced": "Li2FeF5",
"formula_anonymous": "AB2C5",
"energy": -90.19122032,
"energy_per_atom": -5.63695127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.05922032,
"band_gap": 3.4609,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9977786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.324000Z",
"spacegroup": 63
},
{
"id": "mp-753863",
"created_at": "2022-09-04T14:47:14.019593Z",
"structure_string": "Li4 Ti4 S10\n1.0\n3.113264 5.275256 0.000000\n-3.113264 5.275256 0.000000\n0.000000 5.015322 10.811040\nLi Ti S\n4 4 10\ndirect\n0.824541 0.556148 0.175516 Li\n0.556148 0.824541 0.675516 Li\n0.443852 0.175459 0.324484 Li\n0.175459 0.443852 0.824484 Li\n0.249125 0.927362 0.057825 Ti\n0.072638 0.750875 0.442175 Ti\n0.927362 0.249125 0.557825 Ti\n0.750875 0.072638 0.942175 Ti\n0.714305 0.712180 0.460967 S\n0.712180 0.714305 0.960967 S\n0.979126 0.187453 0.362437 S\n0.356092 0.643908 0.250000 S\n0.812547 0.020874 0.137563 S\n0.187453 0.979126 0.862437 S\n0.643908 0.356092 0.750000 S\n0.020874 0.812547 0.637563 S\n0.287820 0.285695 0.039033 S\n0.285695 0.287820 0.539033 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Ti",
"S"
],
"chemical_system": "Li-S-Ti",
"density": 2.5245907450498866,
"density_atomic": 0.05068921264277716,
"volume": 355.10514094688483,
"volume_molar": 11.880517463232113,
"formula_full": "Li4 Ti4 S10",
"formula_reduced": "Li2Ti2S5",
"formula_anonymous": "A2B2C5",
"energy": -107.85284252,
"energy_per_atom": -5.991824584444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.82284252,
"band_gap": 1.1807,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.633000Z",
"spacegroup": 15
},
{
"id": "mp-753864",
"created_at": "2022-09-04T14:43:42.182882Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n-2.002387 2.002387 17.259159\n2.002387 -2.002387 17.259159\n2.002387 2.002387 -17.259159\nSr Li Nb O\n2 2 4 13\ndirect\n0.616488 0.616488 0.000000 Sr\n0.383512 0.383512 0.000000 Sr\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.943813 0.943813 0.000000 Nb\n0.821220 0.821220 0.000000 Nb\n0.056187 0.056187 0.000000 Nb\n0.178780 0.178780 0.000000 Nb\n0.000000 0.000000 0.000000 O\n0.062380 0.562380 0.500000 O\n0.173230 0.673230 0.500000 O\n0.326770 0.826770 0.500000 O\n0.437620 0.937620 0.500000 O\n0.766184 0.766184 0.000000 O\n0.883076 0.883076 0.000000 O\n0.116924 0.116924 0.000000 O\n0.233816 0.233816 0.000000 O\n0.673230 0.173230 0.500000 O\n0.562380 0.062380 0.500000 O\n0.937620 0.437620 0.500000 O\n0.826770 0.326770 0.500000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O-Sr",
"density": 4.611612030957497,
"density_atomic": 0.07586538036582655,
"volume": 276.8060991553325,
"volume_molar": 7.937929963523475,
"formula_full": "Sr2 Li2 Nb4 O13",
"formula_reduced": "Sr2Li2Nb4O13",
"formula_anonymous": "A2B2C4D13",
"energy": -176.80094629000004,
"energy_per_atom": -8.419092680476192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.86994629,
"band_gap": 1.4216,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.492000Z",
"spacegroup": 139
},
{
"id": "mp-753865",
"created_at": "2022-09-04T14:46:31.611644Z",
"structure_string": "Li4 V4 P8 H4 O28\n1.0\n6.541981 -0.061177 0.025268\n-0.724779 3.730730 5.411575\n0.392679 -11.242688 5.579968\nLi V P H O\n4 4 8 4 28\ndirect\n0.119744 0.686997 0.425302 Li\n0.119732 0.186978 0.925312 Li\n0.880309 0.812990 0.074725 Li\n0.880143 0.312964 0.574676 Li\n0.350779 0.739168 0.641203 V\n0.649319 0.260881 0.358787 V\n0.350579 0.239155 0.141201 V\n0.649641 0.760879 0.858751 V\n0.154653 0.156460 0.383045 P\n0.154879 0.656423 0.883058 P\n0.845213 0.343543 0.116952 P\n0.845304 0.843558 0.616935 P\n0.390362 0.728617 0.089981 P\n0.390285 0.228678 0.589943 P\n0.609631 0.771390 0.410034 P\n0.609654 0.271319 0.910043 P\n0.172283 0.905329 0.248883 H\n0.172345 0.405349 0.748870 H\n0.827630 0.594671 0.251117 H\n0.827668 0.094640 0.751132 H\n0.094509 0.929996 0.324633 O\n0.094641 0.429983 0.824638 O\n0.905397 0.569996 0.175367 O\n0.905390 0.070023 0.675372 O\n0.029913 0.222759 0.088914 O\n0.030036 0.722858 0.588883 O\n0.969933 0.277177 0.411097 O\n0.970201 0.777237 0.911104 O\n0.237613 0.110413 0.493085 O\n0.237806 0.610298 0.993083 O\n0.762265 0.389635 0.006926 O\n0.762247 0.889622 0.506931 O\n0.271661 0.909158 0.142492 O\n0.271718 0.409269 0.642483 O\n0.728233 0.590829 0.357505 O\n0.728319 0.090751 0.857541 O\n0.324388 0.266183 0.318723 O\n0.324656 0.766064 0.818735 O\n0.675429 0.233889 0.181273 O\n0.675575 0.733833 0.681263 O\n0.401923 0.566418 0.161249 O\n0.402023 0.066460 0.661183 O\n0.597953 0.933676 0.338792 O\n0.598032 0.433516 0.838779 O\n0.408943 0.698434 0.466654 O\n0.408929 0.198363 0.966667 O\n0.591116 0.801547 0.033370 O\n0.590995 0.301614 0.533308 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.8961201946837987,
"density_atomic": 0.08988821815185681,
"volume": 533.9965680364137,
"volume_molar": 6.699588537650418,
"formula_full": "Li4 V4 P8 H4 O28",
"formula_reduced": "LiVP2HO7",
"formula_anonymous": "ABCD2E7",
"energy": -357.60929738,
"energy_per_atom": -7.450193695416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -331.57329738,
"band_gap": 2.4174,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.675000Z",
"spacegroup": 2
},
{
"id": "mp-753866",
"created_at": "2022-09-04T14:39:47.461509Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n4.879287 -0.008934 0.014834\n-2.271923 8.251785 6.663972\n-2.241912 -8.222160 6.638211\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.179981 0.768120 0.906199 Li\n0.179833 0.268073 0.406151 Li\n0.821918 0.343978 0.982417 Li\n0.822046 0.844031 0.482484 Li\n0.215846 0.114898 0.615351 V\n0.215992 0.614896 0.115332 V\n0.786225 0.636333 0.636455 Cr\n0.786039 0.136374 0.136605 Cr\n0.399115 0.350390 0.170748 P\n0.399252 0.850444 0.670763 P\n0.213163 0.436684 0.649766 P\n0.213004 0.936690 0.149765 P\n0.784281 0.597636 0.316612 P\n0.784287 0.097703 0.816708 P\n0.600317 0.578310 0.897280 P\n0.600147 0.078253 0.397299 P\n0.049049 0.587362 0.265438 O\n0.048840 0.087404 0.765375 O\n0.134402 0.791884 0.093123 O\n0.134653 0.291894 0.593158 O\n0.185422 0.259314 0.222038 O\n0.185422 0.759345 0.721984 O\n0.247987 0.425394 0.081205 O\n0.248134 0.925489 0.581264 O\n0.400863 0.642628 0.963393 O\n0.400651 0.142555 0.463370 O\n0.601454 0.674949 0.243536 O\n0.601335 0.175047 0.743777 O\n0.592486 0.451867 0.301159 O\n0.592609 0.951884 0.801169 O\n0.403560 0.449676 0.796645 O\n0.403345 0.949615 0.296590 O\n0.401862 0.511222 0.575095 O\n0.401824 0.011215 0.075109 O\n0.602564 0.286251 0.107874 O\n0.602568 0.786253 0.607843 O\n0.752906 0.667739 0.821515 O\n0.752737 0.167754 0.321586 O\n0.814958 0.528291 0.988712 O\n0.814752 0.028177 0.488636 O\n0.864903 0.153812 0.962171 O\n0.864471 0.653865 0.462026 O\n0.947447 0.485913 0.660347 O\n0.947351 0.985969 0.160351 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.8838020571981695,
"density_atomic": 0.08221679046703562,
"volume": 535.1704895077553,
"volume_molar": 7.324709132758649,
"formula_full": "Li4 V2 Cr2 P8 O28",
"formula_reduced": "Li2VCr(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -345.91556259000004,
"energy_per_atom": -7.86171733159091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.28156259,
"band_gap": 2.1866,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.872000Z",
"spacegroup": 1
},
{
"id": "mp-753867",
"created_at": "2022-09-04T14:43:16.002870Z",
"structure_string": "Li2 Mn2 P4 O16\n1.0\n6.205853 0.001010 -0.113484\n-0.886969 6.142141 0.113484\n2.433352 3.267329 7.987549\nLi Mn P O\n2 2 4 16\ndirect\n0.162071 0.392979 0.491667 Li\n0.615354 0.346262 0.991667 Li\n0.147301 0.898793 0.752544 Mn\n0.848663 0.100155 0.252544 Mn\n0.287090 0.980933 0.354644 P\n0.164423 0.358266 0.854644 P\n0.841255 0.641611 0.150048 P\n0.708340 0.008697 0.650048 P\n0.054283 0.785021 0.992276 O\n0.156009 0.117906 0.243445 O\n0.241443 0.722516 0.390771 O\n0.138648 0.600546 0.743445 O\n0.248337 0.056509 0.507365 O\n0.158683 0.224395 0.733765 O\n0.626981 0.566248 0.104812 O\n0.541840 0.107552 0.233765 O\n0.455754 0.936575 0.761769 O\n0.386714 0.367786 0.890771 O\n0.801656 0.782477 0.261769 O\n0.722703 0.953440 0.492276 O\n0.888062 0.409883 0.261201 O\n0.828941 0.268207 0.604812 O\n0.828915 0.850737 0.761201 O\n0.936126 0.244298 0.007365 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7492922003894247,
"density_atomic": 0.07889687071574907,
"volume": 304.194574287586,
"volume_molar": 7.632927269950499,
"formula_full": "Li2 Mn2 P4 O16",
"formula_reduced": "LiMn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -177.50233036,
"energy_per_atom": -7.395930431666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.17433036,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.443000Z",
"spacegroup": 9
},
{
"id": "mp-753868",
"created_at": "2022-09-04T14:40:08.827847Z",
"structure_string": "Sb8 O8 F8\n1.0\n10.260468 0.000000 0.000000\n0.000000 10.260468 0.000000\n0.000000 0.000000 4.548229\nSb O F\n8 8 8\ndirect\n0.231396 0.039057 0.132441 Sb\n0.960943 0.231396 0.867559 Sb\n0.460943 0.268604 0.632441 Sb\n0.731396 0.460943 0.367559 Sb\n0.268604 0.539057 0.367559 Sb\n0.539057 0.731396 0.632441 Sb\n0.039057 0.768604 0.867559 Sb\n0.768604 0.960943 0.132441 Sb\n0.873997 0.119853 0.170089 O\n0.119853 0.126003 0.829911 O\n0.619853 0.373997 0.670089 O\n0.373997 0.380147 0.329911 O\n0.626003 0.619853 0.329911 O\n0.380147 0.626003 0.670089 O\n0.880147 0.873997 0.829911 O\n0.126003 0.880147 0.170089 O\n0.664200 0.028719 0.803776 F\n0.528719 0.164200 0.303776 F\n0.028719 0.335800 0.196224 F\n0.164200 0.471281 0.696224 F\n0.835800 0.528719 0.696224 F\n0.971281 0.664200 0.196224 F\n0.471281 0.835800 0.303776 F\n0.335800 0.971281 0.803776 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 4.3490218502479605,
"density_atomic": 0.050122713941349185,
"volume": 478.8248303570207,
"volume_molar": 12.014793865804581,
"formula_full": "Sb8 O8 F8",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy": -139.15843992,
"energy_per_atom": -5.79826833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.96643992,
"band_gap": 3.5531000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.934000Z",
"spacegroup": 114
},
{
"id": "mp-753869",
"created_at": "2022-09-04T14:45:15.586596Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n10.329364 -0.000005 0.000005\n-0.000003 4.838897 0.038821\n0.000003 0.049664 5.932345\nLi V P O\n2 4 4 16\ndirect\n0.249730 0.502591 0.233382 Li\n0.749730 0.997410 0.766613 Li\n0.026102 0.979174 0.002447 V\n0.476225 0.030603 0.499208 V\n0.526103 0.520831 0.997553 V\n0.976227 0.469390 0.500797 V\n0.157783 0.901452 0.502715 P\n0.345274 0.075529 0.001360 P\n0.657785 0.598542 0.497282 P\n0.845271 0.424476 0.998643 P\n0.078895 0.762143 0.699904 O\n0.090913 0.744169 0.298201 O\n0.139513 0.214878 0.488631 O\n0.207805 0.189538 0.008263 O\n0.300949 0.816273 0.499849 O\n0.353862 0.762030 0.014796 O\n0.424417 0.200142 0.795098 O\n0.420452 0.219313 0.208094 O\n0.578903 0.737859 0.300091 O\n0.590912 0.755831 0.701793 O\n0.639511 0.285118 0.511368 O\n0.707802 0.310466 0.991735 O\n0.800951 0.683719 0.500158 O\n0.853861 0.737974 0.985203 O\n0.924413 0.299864 0.204905 O\n0.920452 0.280687 0.791910 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.346525421361963,
"density_atomic": 0.08769122928402814,
"volume": 296.4948742568896,
"volume_molar": 6.8674379515134225,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -210.05651273,
"energy_per_atom": -8.079096643461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.26451273,
"band_gap": 0.5545000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0006232,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.760000Z",
"spacegroup": 4
},
{
"id": "mp-753870",
"created_at": "2022-09-04T14:48:10.528569Z",
"structure_string": "Li2 Fe4 P4 O16\n1.0\n6.700262 0.000000 0.000000\n0.000000 5.179048 0.000000\n0.000000 0.321323 10.730211\nLi Fe P O\n2 4 4 16\ndirect\n0.240698 0.249231 0.670174 Li\n0.759302 0.249231 0.170174 Li\n0.468352 0.246866 0.919916 Fe\n0.947948 0.753059 0.589947 Fe\n0.531648 0.246866 0.419916 Fe\n0.052052 0.753059 0.089947 Fe\n0.223539 0.748754 0.825464 P\n0.722115 0.252377 0.677376 P\n0.776461 0.748754 0.325464 P\n0.277885 0.252377 0.177376 P\n0.043680 0.802262 0.914943 O\n0.409578 0.888677 0.869633 O\n0.255063 0.455590 0.816857 O\n0.710716 0.322514 0.813382 O\n0.168887 0.863875 0.690664 O\n0.750936 0.957196 0.658914 O\n0.911992 0.388821 0.615554 O\n0.529377 0.329164 0.602217 O\n0.956320 0.802262 0.414943 O\n0.590422 0.888677 0.369633 O\n0.744937 0.455590 0.316857 O\n0.289284 0.322514 0.313382 O\n0.831113 0.863875 0.190664 O\n0.249064 0.957196 0.158914 O\n0.088008 0.388821 0.115554 O\n0.470623 0.329164 0.102217 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.752251084372732,
"density_atomic": 0.0698269969204763,
"volume": 372.34882132494624,
"volume_molar": 8.624373130149676,
"formula_full": "Li2 Fe4 P4 O16",
"formula_reduced": "LiFe2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.25064255,
"energy_per_atom": -7.663486251923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.23464255,
"band_gap": 1.0862,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.745000Z",
"spacegroup": 7
},
{
"id": "mp-753871",
"created_at": "2022-09-04T14:44:27.370913Z",
"structure_string": "Li2 V4 P4 O16\n1.0\n9.083488 -0.000503 0.000070\n-0.000352 6.430733 -0.002125\n0.000038 -0.001644 4.936327\nLi V P O\n2 4 4 16\ndirect\n0.332924 0.250001 0.965024 Li\n0.832971 0.249781 0.534978 Li\n0.999488 0.987460 0.999505 V\n0.999466 0.512707 0.999750 V\n0.499497 0.987560 0.500567 V\n0.499397 0.512627 0.500299 V\n0.175355 0.249971 0.472991 P\n0.323997 0.750118 0.986691 P\n0.675379 0.249877 0.026995 P\n0.823977 0.750030 0.513313 P\n0.119968 0.053892 0.334548 O\n0.119889 0.445822 0.334678 O\n0.127840 0.249805 0.782406 O\n0.152168 0.750052 0.956994 O\n0.350940 0.250054 0.444186 O\n0.379239 0.749899 0.287499 O\n0.378089 0.549529 0.848343 O\n0.378077 0.950871 0.848974 O\n0.619979 0.053908 0.165308 O\n0.619925 0.445869 0.165427 O\n0.627872 0.249907 0.717537 O\n0.652151 0.750009 0.543042 O\n0.850962 0.249952 0.055830 O\n0.879210 0.750256 0.212441 O\n0.878074 0.549345 0.651083 O\n0.878050 0.950697 0.651592 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.441076446812202,
"density_atomic": 0.09016881263028659,
"volume": 288.3480356629086,
"volume_molar": 6.678740225505907,
"formula_full": "Li2 V4 P4 O16",
"formula_reduced": "LiV2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -209.27868939,
"energy_per_atom": -8.049180361153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.48668939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0006191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.214000Z",
"spacegroup": 26
}
]
}