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=-formation_energy_per_atom&page=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12191",
"results": [
{
"id": "mp-1066497",
"created_at": "2022-09-04T14:46:58.427673Z",
"structure_string": "Fe2 Se2\n1.0\n2.206088 -2.707994 0.000000\n2.206088 2.707994 0.000000\n0.000000 0.000000 7.140479\nFe Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.743548 Se\n0.250000 0.750000 0.256452 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 5.247557691677904,
"density_atomic": 0.04688480557312537,
"volume": 85.31548656549879,
"volume_molar": 12.844546727633066,
"formula_full": "Fe2 Se2",
"formula_reduced": "FeSe",
"formula_anonymous": "AB",
"energy": -23.47618279,
"energy_per_atom": -5.8690456975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.53218279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8194976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.156000Z",
"spacegroup": 67
},
{
"id": "mp-1521761",
"created_at": "2022-09-04T14:46:58.434391Z",
"structure_string": "Sr2 Ca1 Mn1 O6\n1.0\n-0.000000 -4.115603 -4.115603\n4.115603 -0.000000 -4.115603\n4.115603 -4.115603 0.000000\nSr Ca Mn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.729438 0.270562 0.270562 O\n0.270562 0.729438 0.729438 O\n0.729438 0.270562 0.729438 O\n0.270562 0.729438 0.270562 O\n0.729438 0.729438 0.270562 O\n0.270562 0.270562 0.729438 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.3621360744776405,
"density_atomic": 0.07172483848908184,
"volume": 139.42171513599473,
"volume_molar": 8.396171935495827,
"formula_full": "Sr2 Ca1 Mn1 O6",
"formula_reduced": "Sr2CaMnO6",
"formula_anonymous": "ABC2D6",
"energy": -68.87548047,
"energy_per_atom": -6.887548047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.08548047000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.751000Z",
"spacegroup": 225
},
{
"id": "mp-775190",
"created_at": "2022-09-04T14:46:58.436565Z",
"structure_string": "Li2 V3 Cu1 O8\n1.0\n5.136525 -2.942701 0.000000\n5.136525 2.942701 0.000000\n3.450660 0.000000 4.810023\nLi V Cu O\n2 3 1 8\ndirect\n0.878253 0.878253 0.878253 Li\n0.500097 0.500097 0.500097 Li\n0.501166 0.501166 0.994920 V\n0.994920 0.501166 0.501166 V\n0.501166 0.994920 0.501166 V\n0.122882 0.122882 0.122882 Cu\n0.740353 0.740353 0.740353 O\n0.751234 0.289568 0.751234 O\n0.289568 0.751234 0.751234 O\n0.751234 0.751234 0.289568 O\n0.250071 0.250071 0.710556 O\n0.710556 0.250071 0.250071 O\n0.250071 0.710556 0.250071 O\n0.258426 0.258426 0.258426 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-V",
"density": 4.091097375016815,
"density_atomic": 0.09627983646294054,
"volume": 145.40947008555418,
"volume_molar": 6.2548306906586895,
"formula_full": "Li2 V3 Cu1 O8",
"formula_reduced": "Li2V3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -105.78791284,
"energy_per_atom": -7.556279488571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.19191284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.912000Z",
"spacegroup": 160
},
{
"id": "mp-1203553",
"created_at": "2022-09-04T14:46:58.436779Z",
"structure_string": "U4 P8 H24 C4 O40\n1.0\n8.161136 0.000000 0.000000\n0.000000 10.762527 0.000000\n0.000000 0.000000 10.969895\nU P H C O\n4 8 24 4 40\ndirect\n0.370042 0.370658 0.347316 U\n0.629958 0.870658 0.652684 U\n0.870042 0.870658 0.152684 U\n0.129958 0.370658 0.847316 U\n0.469120 0.486947 0.048160 P\n0.530880 0.986947 0.951840 P\n0.969120 0.986947 0.451840 P\n0.030880 0.486947 0.548160 P\n0.241416 0.657422 0.194658 P\n0.758584 0.157422 0.805342 P\n0.741416 0.157422 0.305342 P\n0.258584 0.657422 0.694658 P\n0.317096 0.251184 0.605174 H\n0.682904 0.751184 0.394826 H\n0.817096 0.751184 0.894826 H\n0.182904 0.251184 0.105174 H\n0.455781 0.169781 0.544198 H\n0.544219 0.669781 0.455802 H\n0.955781 0.669781 0.955802 H\n0.044219 0.169781 0.044198 H\n0.364759 0.815474 0.289151 H\n0.635241 0.315474 0.710849 H\n0.864759 0.315474 0.210849 H\n0.135241 0.815474 0.789151 H\n0.631071 0.535160 0.893714 H\n0.368929 0.035160 0.106286 H\n0.131071 0.035160 0.606286 H\n0.868929 0.535160 0.393714 H\n0.477839 0.707542 0.073251 H\n0.522161 0.207542 0.926749 H\n0.977839 0.207542 0.426749 H\n0.022161 0.707542 0.573251 H\n0.308974 0.663042 0.980585 H\n0.691026 0.163042 0.019415 H\n0.808974 0.163042 0.519415 H\n0.191026 0.663042 0.480585 H\n0.377555 0.639946 0.063811 C\n0.622445 0.139946 0.936189 C\n0.877555 0.139946 0.436189 C\n0.122445 0.639946 0.563811 C\n0.475227 0.490440 0.433215 O\n0.524773 0.990440 0.566785 O\n0.975227 0.990440 0.066785 O\n0.024773 0.490440 0.933215 O\n0.257970 0.257703 0.256321 O\n0.742030 0.757703 0.743679 O\n0.757970 0.757703 0.243679 O\n0.242030 0.257703 0.756321 O\n0.374584 0.234618 0.527556 O\n0.625416 0.734618 0.472444 O\n0.874584 0.734618 0.972444 O\n0.125416 0.234618 0.027556 O\n0.142044 0.402392 0.473352 O\n0.857956 0.902392 0.526648 O\n0.642044 0.902392 0.026648 O\n0.357956 0.402392 0.973352 O\n0.200120 0.528624 0.246890 O\n0.799880 0.028624 0.753110 O\n0.700120 0.028624 0.253110 O\n0.299880 0.528624 0.746890 O\n0.515849 0.437505 0.173668 O\n0.484151 0.937505 0.826332 O\n0.015849 0.937505 0.326332 O\n0.984151 0.437505 0.673668 O\n0.596491 0.237085 0.342578 O\n0.403509 0.737085 0.657422 O\n0.096491 0.737085 0.157422 O\n0.903509 0.237085 0.842578 O\n0.344157 0.724375 0.298996 O\n0.655843 0.224375 0.701004 O\n0.844157 0.224375 0.201004 O\n0.155843 0.724375 0.798996 O\n0.639276 0.504938 0.978945 O\n0.360724 0.004938 0.021055 O\n0.139276 0.004938 0.521055 O\n0.860724 0.504938 0.478945 O\n0.892320 0.473193 0.241625 O\n0.107680 0.973193 0.758375 O\n0.392320 0.973193 0.258375 O\n0.607680 0.473193 0.741625 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"U",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-P-U",
"density": 3.295306294202113,
"density_atomic": 0.08302763112689546,
"volume": 963.5346560439841,
"volume_molar": 7.253176657293822,
"formula_full": "U4 P8 H24 C4 O40",
"formula_reduced": "UP2H6CO10",
"formula_anonymous": "ABC2D6E10",
"energy": -546.40408094,
"energy_per_atom": -6.830051011749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -518.92408094,
"band_gap": 0.4543999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9975762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.245000Z",
"spacegroup": 33
},
{
"id": "mp-1114172",
"created_at": "2022-09-04T14:46:58.455503Z",
"structure_string": "K1 Rb2 Tl1 I6\n1.0\n0.000000 6.377812 6.377812\n6.377812 0.000000 6.377812\n6.377812 6.377812 0.000000\nK Rb Tl I\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tl\n0.763797 0.236203 0.236203 I\n0.236203 0.236203 0.763797 I\n0.236203 0.763797 0.763797 I\n0.236203 0.763797 0.236203 I\n0.763797 0.236203 0.763797 I\n0.763797 0.763797 0.236203 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Tl",
"I"
],
"chemical_system": "I-K-Rb-Tl",
"density": 3.7631686031787486,
"density_atomic": 0.019273245986986116,
"volume": 518.8539598753788,
"volume_molar": 31.246115802529232,
"formula_full": "K1 Rb2 Tl1 I6",
"formula_reduced": "KRb2TlI6",
"formula_anonymous": "ABC2D6",
"energy": -26.12297217,
"energy_per_atom": -2.612297217,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.84897217,
"band_gap": 0.4749,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.096000Z",
"spacegroup": 225
},
{
"id": "mp-2343",
"created_at": "2022-09-04T14:46:58.464954Z",
"structure_string": "Mg2 Sn1\n1.0\n0.000000 3.408323 3.408323\n3.408323 0.000000 3.408323\n3.408323 3.408323 0.000000\nMg Sn\n2 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.508687760498868,
"density_atomic": 0.037885151058896775,
"volume": 79.1866975886188,
"volume_molar": 15.895781306607164,
"formula_full": "Mg2 Sn1",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy": -7.77154034,
"energy_per_atom": -2.5905134466666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.77154034,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012246,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47Z",
"spacegroup": 225
},
{
"id": "mp-1184888",
"created_at": "2022-09-04T14:46:58.467042Z",
"structure_string": "Ho2 Mg6\n1.0\n3.326355 -5.761416 0.000000\n3.326355 5.761416 0.000000\n0.000000 0.000000 5.190083\nHo Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Ho\n0.333333 0.666667 0.750000 Ho\n0.163535 0.327069 0.250000 Mg\n0.163535 0.836465 0.250000 Mg\n0.672931 0.836465 0.250000 Mg\n0.327069 0.163535 0.750000 Mg\n0.836465 0.163535 0.750000 Mg\n0.836465 0.672931 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ho",
"Mg"
],
"chemical_system": "Ho-Mg",
"density": 3.970741122165115,
"density_atomic": 0.04021498000038392,
"volume": 198.93084616537487,
"volume_molar": 14.97486946392242,
"formula_full": "Ho2 Mg6",
"formula_reduced": "HoMg3",
"formula_anonymous": "AB3",
"energy": -19.19375436,
"energy_per_atom": -2.399219295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.19375436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0350663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.154000Z",
"spacegroup": 194
},
{
"id": "mp-1247884",
"created_at": "2022-09-04T14:46:58.472873Z",
"structure_string": "Al2 Zn1 S4\n1.0\n3.509123 0.000000 -1.326324\n-2.009054 4.836342 5.295134\n0.682241 -1.651583 7.110337\nAl Zn S\n2 1 4\ndirect\n0.668275 0.904832 0.526886 Al\n0.663147 0.395903 0.534488 Al\n0.343816 0.873827 0.939978 Zn\n0.335226 0.650075 0.370301 S\n0.636936 0.698377 0.877118 S\n0.333729 0.144854 0.377749 S\n0.685538 0.248798 0.873480 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Zn",
"S"
],
"chemical_system": "Al-S-Zn",
"density": 2.7171564082003132,
"density_atomic": 0.04625478646972772,
"volume": 151.33568943359572,
"volume_molar": 13.019497482582258,
"formula_full": "Al2 Zn1 S4",
"formula_reduced": "Al2ZnS4",
"formula_anonymous": "AB2C4",
"energy": -33.39402324,
"energy_per_atom": -4.770574748571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.38202324,
"band_gap": 1.5436,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.038000Z",
"spacegroup": 8
},
{
"id": "mp-1222683",
"created_at": "2022-09-04T14:46:58.477929Z",
"structure_string": "La1 Y1 Al4\n1.0\n0.000000 4.011283 4.011283\n4.011283 0.000000 4.011283\n4.011283 4.011283 0.000000\nLa Y Al\n1 1 4\ndirect\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Y\n0.375011 0.375011 0.375011 Al\n0.375011 0.874968 0.375011 Al\n0.874968 0.375011 0.375011 Al\n0.375011 0.375011 0.874968 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Y",
"Al"
],
"chemical_system": "Al-La-Y",
"density": 4.318858864285881,
"density_atomic": 0.04648055935746573,
"volume": 129.08622621892516,
"volume_molar": 12.9562570744595,
"formula_full": "La1 Y1 Al4",
"formula_reduced": "LaYAl4",
"formula_anonymous": "ABC4",
"energy": -29.34605493,
"energy_per_atom": -4.891009155,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.34605493,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.478000Z",
"spacegroup": 216
},
{
"id": "mp-13974",
"created_at": "2022-09-04T14:46:58.569853Z",
"structure_string": "Ho2 Se1 O2\n1.0\n1.913172 -3.313711 0.000000\n1.913172 3.313711 0.000000\n0.000000 0.000000 6.807835\nHo Se O\n2 1 2\ndirect\n0.666667 0.333333 0.708577 Ho\n0.333333 0.666667 0.291423 Ho\n0.000000 0.000000 0.000000 Se\n0.666667 0.333333 0.374402 O\n0.333333 0.666667 0.625598 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Se",
"O"
],
"chemical_system": "Ho-O-Se",
"density": 8.480123426961264,
"density_atomic": 0.05792450641126727,
"volume": 86.31925086248845,
"volume_molar": 10.396533579833136,
"formula_full": "Ho2 Se1 O2",
"formula_reduced": "Ho2SeO2",
"formula_anonymous": "AB2C2",
"energy": -40.0617942,
"energy_per_atom": -8.012358840000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.2157942,
"band_gap": 2.1517000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.095000Z",
"spacegroup": 164
},
{
"id": "mp-772661",
"created_at": "2022-09-04T14:46:58.450532Z",
"structure_string": "Li8 Mn2 Sn6 P8 O32\n1.0\n4.880642 -0.062230 0.000337\n-0.143313 11.000329 -0.001968\n0.000905 -0.002416 13.592033\nLi Mn Sn P O\n8 2 6 8 32\ndirect\n0.961147 0.997726 0.013071 Li\n0.961031 0.997712 0.513083 Li\n0.961017 0.997724 0.236910 Li\n0.961017 0.997659 0.736931 Li\n0.501476 0.509818 0.253957 Li\n0.501446 0.509811 0.753947 Li\n0.501427 0.509771 0.996061 Li\n0.501470 0.509780 0.496056 Li\n0.045695 0.723220 0.875011 Mn\n0.045909 0.723292 0.375095 Mn\n0.463834 0.214914 0.375026 Sn\n0.463855 0.214875 0.875002 Sn\n0.541638 0.785719 0.124839 Sn\n0.541626 0.785669 0.624817 Sn\n0.950136 0.296128 0.125020 Sn\n0.950200 0.296079 0.625006 Sn\n0.096272 0.584908 0.125013 P\n0.096210 0.584849 0.625095 P\n0.382316 0.072689 0.125029 P\n0.382205 0.072420 0.624972 P\n0.621802 0.903057 0.374975 P\n0.621801 0.903025 0.874982 P\n0.912669 0.435827 0.375001 P\n0.912580 0.435851 0.875004 P\n0.239366 0.456941 0.125001 O\n0.239351 0.456903 0.624990 O\n0.226617 0.443825 0.374987 O\n0.226408 0.443935 0.875029 O\n0.309526 0.884778 0.375007 O\n0.309535 0.884732 0.875026 O\n0.225701 0.946011 0.125070 O\n0.225198 0.945840 0.624864 O\n0.721899 0.040562 0.374997 O\n0.721882 0.040543 0.875003 O\n0.693601 0.055517 0.125039 O\n0.693513 0.055299 0.624999 O\n0.783392 0.567264 0.125010 O\n0.783347 0.567251 0.625019 O\n0.781182 0.563887 0.375011 O\n0.781046 0.563881 0.875006 O\n0.211763 0.654648 0.032071 O\n0.211690 0.654640 0.532193 O\n0.211749 0.654712 0.217931 O\n0.211728 0.654548 0.718035 O\n0.276402 0.143277 0.032797 O\n0.276386 0.143162 0.532784 O\n0.276099 0.143826 0.217086 O\n0.276316 0.143126 0.717216 O\n0.761864 0.842879 0.284295 O\n0.761931 0.842824 0.784326 O\n0.761774 0.842904 0.465672 O\n0.761792 0.842913 0.965699 O\n0.789991 0.364211 0.283958 O\n0.790148 0.364205 0.783915 O\n0.790065 0.364221 0.466048 O\n0.789949 0.364214 0.966014 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-Sn",
"density": 3.726647188506198,
"density_atomic": 0.07675260827905009,
"volume": 729.6168984433772,
"volume_molar": 7.8461708273225765,
"formula_full": "Li8 Mn2 Sn6 P8 O32",
"formula_reduced": "Li4MnSn3(PO4)4",
"formula_anonymous": "AB3C4D4E16",
"energy": -396.46234642,
"energy_per_atom": -7.0796847575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.14234642,
"band_gap": 2.5541,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.514000Z",
"spacegroup": 6
},
{
"id": "mp-22899",
"created_at": "2022-09-04T14:46:58.452834Z",
"structure_string": "Li1 I1\n1.0\n0.000000 3.012850 3.012850\n3.012850 0.000000 3.012850\n3.012850 3.012850 0.000000\nLi I\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"I"
],
"chemical_system": "I-Li",
"density": 4.063406290322655,
"density_atomic": 0.0365651592898122,
"volume": 54.69687644864823,
"volume_molar": 16.46961445530443,
"formula_full": "Li1 I1",
"formula_reduced": "LiI",
"formula_anonymous": "AB",
"energy": -6.20449507,
"energy_per_atom": -3.102247535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.82549507,
"band_gap": 4.2793,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.497000Z",
"spacegroup": 225
}
]
}