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_stable&page=12166",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12164",
"results": [
{
"id": "mp-756887",
"created_at": "2022-09-04T14:48:06.405530Z",
"structure_string": "Li5 Mn5 V2 O12\n1.0\n4.546821 2.618922 0.000000\n-4.546821 2.618922 0.000000\n0.000000 1.554487 9.837226\nLi Mn V O\n5 5 2 12\ndirect\n0.834444 0.661753 0.254311 Li\n0.676077 0.846783 0.745875 Li\n0.338247 0.165556 0.745689 Li\n0.153217 0.323923 0.254125 Li\n0.085387 0.914613 0.500000 Li\n0.921054 0.078946 0.000000 Mn\n0.001269 0.506058 0.747090 Mn\n0.493942 0.998731 0.252910 Mn\n0.576087 0.423913 0.000000 Mn\n0.424209 0.575791 0.500000 Mn\n0.751674 0.248326 0.500000 V\n0.248609 0.751391 0.000000 V\n0.034115 0.231630 0.625353 O\n0.768370 0.965885 0.374647 O\n0.893386 0.396987 0.116845 O\n0.603013 0.106614 0.883155 O\n0.724803 0.527856 0.622805 O\n0.472144 0.275197 0.377195 O\n0.528997 0.722487 0.128746 O\n0.277513 0.471003 0.871254 O\n0.420993 0.912812 0.611112 O\n0.087188 0.579007 0.388888 O\n0.217557 0.032293 0.130082 O\n0.967707 0.782443 0.869918 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"V",
"O"
],
"chemical_system": "Li-Mn-O-V",
"density": 4.275909438260655,
"density_atomic": 0.10244203002370374,
"volume": 234.27884037876558,
"volume_molar": 5.878583974377075,
"formula_full": "Li5 Mn5 V2 O12",
"formula_reduced": "Li5Mn5V2O12",
"formula_anonymous": "A2B5C5D12",
"energy": -186.10149715,
"energy_per_atom": -7.754229047916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.11749715,
"band_gap": 0.0470999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 26.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:28.073000Z",
"spacegroup": 5
},
{
"id": "mp-1215847",
"created_at": "2022-09-04T14:48:06.409575Z",
"structure_string": "Yb2 Al3 Cu1\n1.0\n4.788268 -2.771978 0.000000\n4.788268 2.771978 0.000000\n3.183541 0.000000 4.525090\nYb Al Cu\n2 3 1\ndirect\n0.625146 0.625146 0.625146 Yb\n0.374854 0.374854 0.374854 Yb\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Yb",
"density": 6.7814908894816375,
"density_atomic": 0.049948885723573914,
"volume": 120.12279979988094,
"volume_molar": 12.056606814669715,
"formula_full": "Yb2 Al3 Cu1",
"formula_reduced": "Yb2Al3Cu",
"formula_anonymous": "AB2C3",
"energy": -20.39108302,
"energy_per_atom": -3.3985138366666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.39108302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.142000Z",
"spacegroup": 166
},
{
"id": "mp-1021675",
"created_at": "2022-09-04T14:48:06.414430Z",
"structure_string": "Mg12 V2 Bi2\n1.0\n5.220811 0.000000 0.000000\n0.000000 6.208901 0.000000\n0.000000 0.000000 11.091552\nMg V Bi\n12 2 2\ndirect\n0.500000 0.748576 0.916689 Mg\n0.500000 0.251424 0.916689 Mg\n0.000000 0.261541 0.582145 Mg\n0.000000 0.738459 0.582145 Mg\n0.000000 0.500000 0.829467 Mg\n0.000000 0.000000 0.838391 Mg\n0.500000 0.248576 0.416689 Mg\n0.500000 0.751424 0.416689 Mg\n0.000000 0.761541 0.082145 Mg\n0.000000 0.238459 0.082145 Mg\n0.000000 0.000000 0.329467 Mg\n0.000000 0.500000 0.338391 Mg\n0.500000 0.500000 0.666500 V\n0.500000 0.000000 0.166500 V\n0.500000 0.000000 0.667969 Bi\n0.500000 0.500000 0.167969 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"Bi"
],
"chemical_system": "Bi-Mg-V",
"density": 3.747957253865975,
"density_atomic": 0.0445015314097978,
"volume": 359.53818875719224,
"volume_molar": 13.532434883070382,
"formula_full": "Mg12 V2 Bi2",
"formula_reduced": "Mg6VBi",
"formula_anonymous": "ABC6",
"energy": -43.30309369,
"energy_per_atom": -2.706443355625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.30309369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.7332777,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.561000Z",
"spacegroup": 38
},
{
"id": "mp-1027072",
"created_at": "2022-09-04T14:48:06.416981Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.698753 -2.942327 0.000000\n1.698753 2.942327 0.000000\n0.000000 0.000000 40.603982\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.326615 Te\n0.333333 0.666667 0.424629 Te\n0.333333 0.666667 0.516900 Te\n0.000000 0.000000 0.233686 Te\n0.000000 0.000000 0.093900 Mo\n0.000000 0.000000 0.470783 Mo\n0.333333 0.666667 0.280147 W\n0.333333 0.666667 0.658091 W\n0.000000 0.000000 0.698846 Se\n0.000000 0.000000 0.617304 Se\n0.333333 0.666667 0.056923 S\n0.333333 0.666667 0.130925 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.285610743214777,
"density_atomic": 0.029563881309780205,
"volume": 405.90069599657767,
"volume_molar": 20.36992604894466,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy": -83.73830753,
"energy_per_atom": -6.978192294166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.10030753,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.972000Z",
"spacegroup": 156
},
{
"id": "mp-2415",
"created_at": "2022-09-04T14:48:06.417942Z",
"structure_string": "Dy1 Tl3\n1.0\n4.778292 0.000000 0.000000\n0.000000 4.778292 0.000000\n0.000000 0.000000 4.778292\nDy Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Dy",
"Tl"
],
"chemical_system": "Dy-Tl",
"density": 11.805836947480007,
"density_atomic": 0.03666417640840421,
"volume": 109.0983186269831,
"volume_molar": 16.42513578627555,
"formula_full": "Dy1 Tl3",
"formula_reduced": "DyTl3",
"formula_anonymous": "AB3",
"energy": -12.62813272,
"energy_per_atom": -3.15703318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.62813272,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:26.858000Z",
"spacegroup": 221
},
{
"id": "mp-8387",
"created_at": "2022-09-04T14:48:06.419043Z",
"structure_string": "Tl6 Te1 O6\n1.0\n4.641928 -4.873605 0.000000\n4.641928 4.873605 0.000000\n-0.474917 0.000000 6.713716\nTl Te O\n6 1 6\ndirect\n0.443819 0.736820 0.870571 Tl\n0.870571 0.443819 0.736820 Tl\n0.736820 0.870571 0.443819 Tl\n0.556181 0.263180 0.129429 Tl\n0.129429 0.556181 0.263180 Tl\n0.263180 0.129429 0.556181 Tl\n0.000000 0.000000 0.000000 Te\n0.958754 0.035017 0.711431 O\n0.711431 0.958754 0.035017 O\n0.035017 0.711431 0.958754 O\n0.041246 0.964983 0.288569 O\n0.288569 0.041246 0.964983 O\n0.964983 0.288569 0.041246 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tl",
"Te",
"O"
],
"chemical_system": "O-Te-Tl",
"density": 7.925822103434595,
"density_atomic": 0.0427958506758802,
"volume": 303.7677670776344,
"volume_molar": 14.071786551480065,
"formula_full": "Tl6 Te1 O6",
"formula_reduced": "Tl6TeO6",
"formula_anonymous": "AB6C6",
"energy": -61.38142255,
"energy_per_atom": -4.721647888461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.25942255,
"band_gap": 1.5632999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001006,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:32.121000Z",
"spacegroup": 148
},
{
"id": "mp-1200053",
"created_at": "2022-09-04T14:48:06.430651Z",
"structure_string": "Lu4 Fe20 P12\n1.0\n3.631262 0.000000 0.000000\n0.000000 10.214778 0.000000\n0.000000 0.000000 11.747617\nLu Fe P\n4 20 12\ndirect\n0.250000 0.581582 0.705200 Lu\n0.250000 0.918418 0.205200 Lu\n0.750000 0.418418 0.294800 Lu\n0.750000 0.081582 0.794800 Lu\n0.250000 0.707582 0.987447 Fe\n0.250000 0.792418 0.487447 Fe\n0.750000 0.292418 0.012553 Fe\n0.750000 0.207582 0.512553 Fe\n0.250000 0.405889 0.489698 Fe\n0.250000 0.094111 0.989698 Fe\n0.750000 0.594111 0.510302 Fe\n0.750000 0.905889 0.010302 Fe\n0.250000 0.219458 0.176709 Fe\n0.250000 0.280542 0.676709 Fe\n0.750000 0.780542 0.823291 Fe\n0.750000 0.719458 0.323291 Fe\n0.250000 0.877453 0.699950 Fe\n0.250000 0.622547 0.199950 Fe\n0.750000 0.122547 0.300050 Fe\n0.750000 0.377453 0.800050 Fe\n0.250000 0.463302 0.932925 Fe\n0.250000 0.036698 0.432925 Fe\n0.750000 0.536698 0.067075 Fe\n0.750000 0.963302 0.567075 Fe\n0.250000 0.421075 0.113766 P\n0.250000 0.078925 0.613766 P\n0.750000 0.578925 0.886234 P\n0.750000 0.921075 0.386234 P\n0.250000 0.264981 0.870635 P\n0.250000 0.235019 0.370635 P\n0.750000 0.735019 0.129365 P\n0.750000 0.764981 0.629365 P\n0.250000 0.600052 0.393731 P\n0.250000 0.899948 0.893731 P\n0.750000 0.399948 0.606269 P\n0.750000 0.100052 0.106269 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"P"
],
"chemical_system": "Fe-Lu-P",
"density": 8.33969280544691,
"density_atomic": 0.08261638813177143,
"volume": 435.7488969692157,
"volume_molar": 7.28928109323154,
"formula_full": "Lu4 Fe20 P12",
"formula_reduced": "LuFe5P3",
"formula_anonymous": "AB3C5",
"energy": -279.52486793,
"energy_per_atom": -7.764579664722223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -279.52486793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8650436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.406000Z",
"spacegroup": 62
},
{
"id": "mp-1205980",
"created_at": "2022-09-04T14:48:06.434832Z",
"structure_string": "Lu6 Ru4\n1.0\n0.000000 0.000000 -4.630516\n-3.744530 -6.485716 0.000000\n-3.744530 6.485716 0.000000\nLu Ru\n6 4\ndirect\n0.750000 0.612359 0.697541 Lu\n0.250000 0.387641 0.302459 Lu\n0.750000 0.085181 0.387641 Lu\n0.250000 0.914819 0.612359 Lu\n0.750000 0.302459 0.914819 Lu\n0.250000 0.697541 0.085181 Lu\n0.750000 0.666667 0.333333 Ru\n0.250000 0.333333 0.666667 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Lu",
"Ru"
],
"chemical_system": "Lu-Ru",
"density": 10.735527011492287,
"density_atomic": 0.044461629274229815,
"volume": 224.91303542481856,
"volume_molar": 13.544579580871238,
"formula_full": "Lu6 Ru4",
"formula_reduced": "Lu3Ru2",
"formula_anonymous": "A2B3",
"energy": -67.6818298,
"energy_per_atom": -6.768182980000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.6818298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.223000Z",
"spacegroup": 176
},
{
"id": "mp-1373293",
"created_at": "2022-09-04T14:48:09.450349Z",
"structure_string": "Mg2 Cr2 P4 O14\n1.0\n6.284500 -0.246664 1.024858\n0.786774 5.857419 2.534111\n0.725235 -0.507366 7.240089\nMg Cr P O\n2 2 4 14\ndirect\n0.925617 0.288458 0.186887 Mg\n0.074494 0.711657 0.813033 Mg\n0.686414 0.093086 0.779906 Cr\n0.313296 0.906861 0.220278 Cr\n0.175359 0.213390 0.764816 P\n0.824617 0.786602 0.235183 P\n0.620895 0.638115 0.681905 P\n0.379203 0.361892 0.318053 P\n0.745706 0.624855 0.456725 O\n0.254554 0.374999 0.543312 O\n0.017360 0.055243 0.759810 O\n0.982501 0.944913 0.240109 O\n0.609512 0.265053 0.330111 O\n0.390612 0.734965 0.669704 O\n0.359335 0.600671 0.188060 O\n0.640606 0.399353 0.812008 O\n0.937441 0.627579 0.116846 O\n0.062647 0.372517 0.883061 O\n0.637396 0.927050 0.150575 O\n0.362415 0.072738 0.849593 O\n0.236962 0.214348 0.274711 O\n0.763059 0.785658 0.725314 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mg-O-P",
"density": 3.0691701326551137,
"density_atomic": 0.08124565451970556,
"volume": 270.78371304971216,
"volume_molar": 7.412261979549161,
"formula_full": "Mg2 Cr2 P4 O14",
"formula_reduced": "MgCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -173.69435220999998,
"energy_per_atom": -7.895197827727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.07835221,
"band_gap": 3.4787,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9995479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:36.251000Z",
"spacegroup": 2
},
{
"id": "mp-1218707",
"created_at": "2022-09-04T14:48:09.487733Z",
"structure_string": "Sr2 Se1 S1\n1.0\n7.256674 -2.185688 0.000000\n7.256674 2.185688 0.000000\n6.598352 0.000000 3.728043\nSr Se S\n2 1 1\ndirect\n0.247121 0.247121 0.247121 Sr\n0.752879 0.752879 0.752879 Sr\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Se",
"S"
],
"chemical_system": "S-Se-Sr",
"density": 4.019579848574119,
"density_atomic": 0.03382387040335084,
"volume": 118.2596773314189,
"volume_molar": 17.80441057804964,
"formula_full": "Sr2 Se1 S1",
"formula_reduced": "Sr2SeS",
"formula_anonymous": "ABC2",
"energy": -20.37249486,
"energy_per_atom": -5.093123715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.39749486,
"band_gap": 2.2889,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.18e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.547000Z",
"spacegroup": 166
},
{
"id": "mp-1017530",
"created_at": "2022-09-04T14:48:09.493621Z",
"structure_string": "V2 H2\n1.0\n1.367790 -2.369082 0.000000\n1.367790 2.369082 0.000000\n0.000000 0.000000 4.935968\nV H\n2 2\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.250000 H\n0.666667 0.333333 0.750000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.393343919991297,
"density_atomic": 0.1250426424789256,
"volume": 31.989087248169362,
"volume_molar": 4.816069654809924,
"formula_full": "V2 H2",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -24.85464322,
"energy_per_atom": -6.213660805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.49664322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.096000Z",
"spacegroup": 194
},
{
"id": "mp-1194849",
"created_at": "2022-09-04T14:48:09.566096Z",
"structure_string": "Na12 Mo4 O16 F4\n1.0\n5.664707 0.000000 0.000000\n0.000000 7.612018 0.000000\n0.000000 0.000000 13.042128\nNa Mo O F\n12 4 16 4\ndirect\n0.227034 0.250000 0.607306 Na\n0.727034 0.250000 0.892694 Na\n0.772966 0.750000 0.392694 Na\n0.272966 0.750000 0.107306 Na\n0.229983 0.539574 0.320648 Na\n0.729983 0.960426 0.179352 Na\n0.770017 0.039574 0.679352 Na\n0.270017 0.460426 0.820648 Na\n0.770017 0.460426 0.679352 Na\n0.270017 0.039574 0.820648 Na\n0.229983 0.960426 0.320648 Na\n0.729983 0.539574 0.179352 Na\n0.709262 0.250000 0.416008 Mo\n0.209262 0.250000 0.083992 Mo\n0.290738 0.750000 0.583992 Mo\n0.790738 0.750000 0.916008 Mo\n0.824169 0.250000 0.544201 O\n0.324169 0.250000 0.955799 O\n0.175831 0.750000 0.455799 O\n0.675831 0.750000 0.044201 O\n0.810589 0.442416 0.349393 O\n0.310589 0.057584 0.150607 O\n0.189411 0.942416 0.650607 O\n0.689411 0.557584 0.849393 O\n0.189411 0.557584 0.650607 O\n0.689411 0.942416 0.849393 O\n0.810589 0.057584 0.349393 O\n0.310589 0.442416 0.150607 O\n0.390452 0.250000 0.421118 O\n0.890452 0.250000 0.078882 O\n0.609548 0.750000 0.578882 O\n0.109548 0.750000 0.921118 O\n0.502116 0.250000 0.732820 F\n0.002116 0.250000 0.767180 F\n0.497884 0.750000 0.267180 F\n0.997884 0.750000 0.232820 F\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Na",
"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-Na-O",
"density": 2.9279874008081905,
"density_atomic": 0.06401426812102341,
"volume": 562.3746245436955,
"volume_molar": 9.407497635706347,
"formula_full": "Na12 Mo4 O16 F4",
"formula_reduced": "Na3MoO4F",
"formula_anonymous": "ABC3D4",
"energy": -229.94954723,
"energy_per_atom": -6.387487423055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.30154723,
"band_gap": 4.5355,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020352,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:33.938000Z",
"spacegroup": 62
}
]
}