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=12129",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12127",
"results": [
{
"id": "mp-1239183",
"created_at": "2022-09-04T14:42:10.968973Z",
"structure_string": "Mo1 S3\n1.0\n3.664636 1.257132 0.069259\n0.982552 7.330794 0.757138\n0.116335 0.743626 10.909563\nMo S\n1 3\ndirect\n0.624870 0.960651 0.235971 Mo\n0.274531 0.792587 0.204987 S\n0.712016 0.743632 0.699938 S\n0.351583 0.254129 0.286104 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 1.149118597402894,
"density_atomic": 0.014406857565535596,
"volume": 277.6455574579212,
"volume_molar": 41.80051571000673,
"formula_full": "Mo1 S3",
"formula_reduced": "MoS3",
"formula_anonymous": "AB3",
"energy": -20.87268729,
"energy_per_atom": -5.2181718225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.36368729,
"band_gap": 0.0142999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.545000Z",
"spacegroup": 1
},
{
"id": "mp-1205415",
"created_at": "2022-09-04T14:42:05.835140Z",
"structure_string": "Fe8 O12\n1.0\n5.036462 0.000000 0.000000\n0.000000 5.265405 0.000000\n0.000000 0.000000 7.774239\nFe O\n8 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.976501 0.561601 0.750000 Fe\n0.476501 0.938399 0.250000 Fe\n0.023499 0.438399 0.250000 Fe\n0.523499 0.061601 0.750000 Fe\n0.180753 0.683948 0.421014 O\n0.680753 0.816052 0.921014 O\n0.819247 0.316052 0.578986 O\n0.319247 0.183948 0.078986 O\n0.180753 0.683948 0.078986 O\n0.680753 0.816052 0.578986 O\n0.819247 0.316052 0.921014 O\n0.319247 0.183948 0.421014 O\n0.653138 0.581627 0.250000 O\n0.153138 0.918373 0.750000 O\n0.346862 0.418373 0.750000 O\n0.846862 0.081627 0.250000 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.144778521448036,
"density_atomic": 0.09700961137357574,
"volume": 206.16513886424826,
"volume_molar": 6.207777430227248,
"formula_full": "Fe8 O12",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy": -157.73065747,
"energy_per_atom": -7.8865328735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.43865747,
"band_gap": 1.0606,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0131273,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.221000Z",
"spacegroup": 62
},
{
"id": "mp-1245058",
"created_at": "2022-09-04T14:42:10.954021Z",
"structure_string": "V30 O75\n1.0\n13.286457 1.009587 0.511223\n1.018389 12.678410 0.131513\n0.478074 0.113071 11.435657\nV O\n30 75\ndirect\n0.894271 0.454895 0.934710 V\n0.895639 0.932078 0.123223 V\n0.329545 0.016896 0.624768 V\n0.487221 0.552745 0.758727 V\n0.688912 0.176893 0.473958 V\n0.539090 0.123800 0.730630 V\n0.456641 0.203616 0.942685 V\n0.891234 0.311099 0.523913 V\n0.837220 0.123668 0.878758 V\n0.611460 0.690487 0.897962 V\n0.414049 0.114776 0.362745 V\n0.362977 0.757000 0.587732 V\n0.764061 0.696128 0.617763 V\n0.784193 0.953583 0.706369 V\n0.030001 0.212555 0.309300 V\n0.119268 0.169226 0.545750 V\n0.013858 0.932371 0.561721 V\n0.833609 0.771107 0.328913 V\n0.985878 0.663294 0.040814 V\n0.521940 0.337609 0.357625 V\n0.176654 0.855254 0.763698 V\n0.567071 0.878725 0.331253 V\n0.661046 0.519486 0.420903 V\n0.942772 0.189003 0.040979 V\n0.729225 0.496427 0.708401 V\n0.381434 0.798816 0.176516 V\n0.290958 0.713519 0.368757 V\n0.066631 0.609649 0.315736 V\n0.383845 0.381446 0.110792 V\n0.738870 0.597775 0.148794 V\n0.756525 0.423697 0.397006 O\n0.492249 0.385860 0.225763 O\n0.925011 0.334103 0.017013 O\n0.403340 0.878681 0.623597 O\n0.087826 0.040815 0.553000 O\n0.380787 0.668251 0.244532 O\n0.991081 0.457816 0.842526 O\n0.466725 0.652866 0.652938 O\n0.609816 0.456387 0.724852 O\n0.182135 0.654156 0.359455 O\n0.512053 0.778212 0.437629 O\n0.268956 0.816703 0.493630 O\n0.876923 0.971870 0.587873 O\n0.806529 0.221316 0.517931 O\n0.436041 0.085219 0.670600 O\n0.881944 0.584655 0.019531 O\n0.040521 0.865129 0.443574 O\n0.063140 0.857226 0.683255 O\n0.277175 0.843663 0.278012 O\n0.691367 0.643466 0.765734 O\n0.638858 0.248893 0.343873 O\n0.336409 0.316385 0.964793 O\n0.513532 0.075268 0.882183 O\n0.360741 0.123080 0.240799 O\n0.551492 0.446117 0.441287 O\n0.662948 0.033393 0.713024 O\n0.057326 0.495227 0.375906 O\n0.529917 0.025422 0.340588 O\n0.693135 0.581905 0.551534 O\n0.843336 0.980192 0.829046 O\n0.976933 0.144515 0.899407 O\n0.779655 0.770222 0.469780 O\n0.057800 0.605086 0.160422 O\n0.950206 0.804623 0.056100 O\n0.794849 0.206366 0.776660 O\n0.871987 0.892403 0.277774 O\n0.357605 0.810197 0.039582 O\n0.666110 0.669166 0.040284 O\n0.872495 0.621719 0.636910 O\n0.219528 0.167684 0.624813 O\n0.574737 0.815717 0.878541 O\n0.380755 0.498799 0.049951 O\n0.717044 0.052052 0.444762 O\n0.657069 0.598289 0.290388 O\n0.501714 0.252117 0.794254 O\n0.234432 0.973160 0.731434 O\n0.508083 0.247006 0.056928 O\n0.595502 0.194078 0.589260 O\n0.493970 0.852459 0.210665 O\n0.366750 0.644661 0.473767 O\n0.838036 0.414214 0.612686 O\n0.002842 0.253643 0.596792 O\n0.573147 0.846902 0.489126 O\n0.788122 0.458471 0.849156 O\n0.144669 0.200668 0.395135 O\n0.283717 0.382805 0.203821 O\n0.961647 0.040149 0.107478 O\n0.786109 0.970198 0.069824 O\n0.506861 0.619664 0.892772 O\n0.275988 0.747869 0.716329 O\n0.826606 0.671091 0.223350 O\n0.814139 0.180838 0.034808 O\n0.948474 0.327758 0.380073 O\n0.973711 0.113003 0.353451 O\n0.033339 0.216020 0.157532 O\n0.958590 0.701102 0.365666 O\n0.435145 0.249822 0.406486 O\n0.688613 0.839705 0.280647 O\n0.061251 0.645447 0.924538 O\n0.755363 0.470866 0.123232 O\n0.337739 0.047582 0.469269 O\n0.767827 0.824607 0.706994 O\n0.392333 0.488869 0.775154 O\n0.147195 0.846842 0.901842 O\n0.322299 0.205248 0.988912 O\n",
"nsites": 105,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.3701160277646154,
"density_atomic": 0.05493303628306664,
"volume": 1911.418102923372,
"volume_molar": 10.962694159063538,
"formula_full": "V30 O75",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"energy": -830.11241743,
"energy_per_atom": -7.905832546952381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -767.03741743,
"band_gap": 0.7666,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.151000Z",
"spacegroup": 1
},
{
"id": "mp-555283",
"created_at": "2022-09-04T14:42:10.876182Z",
"structure_string": "V24 S8\n1.0\n9.333672 0.000000 0.000000\n0.000000 9.333672 0.000000\n0.000000 0.000000 4.636272\nV S\n24 8\ndirect\n0.589951 0.089951 0.500000 V\n0.910049 0.410049 0.000000 V\n0.297748 0.797748 0.000000 V\n0.202252 0.702252 0.500000 V\n0.853155 0.000000 0.750000 V\n0.146845 0.000000 0.750000 V\n0.910049 0.589951 0.500000 V\n0.589951 0.910049 0.000000 V\n0.702252 0.797748 0.500000 V\n0.797748 0.297748 0.500000 V\n0.353155 0.500000 0.750000 V\n0.089951 0.589951 0.000000 V\n0.646845 0.500000 0.750000 V\n0.410049 0.910049 0.500000 V\n0.000000 0.146845 0.250000 V\n0.089951 0.410049 0.500000 V\n0.202252 0.297748 0.000000 V\n0.410049 0.089951 0.000000 V\n0.500000 0.353155 0.250000 V\n0.000000 0.853155 0.250000 V\n0.702252 0.202252 0.000000 V\n0.797748 0.702252 0.000000 V\n0.500000 0.646845 0.250000 V\n0.297748 0.202252 0.500000 V\n0.209564 0.000000 0.250000 S\n0.790436 0.000000 0.250000 S\n0.709564 0.500000 0.250000 S\n0.290436 0.500000 0.250000 S\n0.500000 0.290436 0.750000 S\n0.000000 0.209564 0.750000 S\n0.500000 0.709564 0.750000 S\n0.000000 0.790436 0.750000 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 6.08103293044792,
"density_atomic": 0.07922750894130395,
"volume": 403.9001153463924,
"volume_molar": 7.60107296123816,
"formula_full": "V24 S8",
"formula_reduced": "V3S",
"formula_anonymous": "AB3",
"energy": -272.59786219,
"energy_per_atom": -8.5186831934375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.57386219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.529000Z",
"spacegroup": 133
},
{
"id": "mp-30728",
"created_at": "2022-09-04T14:42:09.152459Z",
"structure_string": "Ho1 In1\n1.0\n3.744119 0.000000 0.000000\n0.000000 3.744119 0.000000\n0.000000 0.000000 3.744119\nHo In\n1 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ho",
"In"
],
"chemical_system": "Ho-In",
"density": 8.850496892466294,
"density_atomic": 0.038104920952371474,
"volume": 52.486659203410035,
"volume_molar": 15.804102487254237,
"formula_full": "Ho1 In1",
"formula_reduced": "HoIn",
"formula_anonymous": "AB",
"energy": -8.2048193,
"energy_per_atom": -4.10240965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2048193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.49e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.417000Z",
"spacegroup": 221
},
{
"id": "mp-580364",
"created_at": "2022-09-04T14:42:10.856550Z",
"structure_string": "Ho1 Cu5\n1.0\n0.000000 3.506273 3.506273\n3.506273 0.000000 3.506273\n3.506273 3.506273 0.000000\nHo Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ho\n0.128462 0.623846 0.623846 Cu\n0.623846 0.128462 0.623846 Cu\n0.250000 0.250000 0.250000 Cu\n0.623846 0.623846 0.128462 Cu\n0.623846 0.623846 0.623846 Cu\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ho",
"Cu"
],
"chemical_system": "Cu-Ho",
"density": 9.296586530767952,
"density_atomic": 0.06959596682215603,
"volume": 86.21189235480075,
"volume_molar": 8.6530025157763,
"formula_full": "Ho1 Cu5",
"formula_reduced": "HoCu5",
"formula_anonymous": "AB5",
"energy": -26.22591738,
"energy_per_atom": -4.37098623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.22591738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.407000Z",
"spacegroup": 216
},
{
"id": "mp-1187624",
"created_at": "2022-09-04T14:42:09.158406Z",
"structure_string": "U3 Cl1\n1.0\n4.245442 0.000000 0.000000\n0.000000 4.245442 0.000000\n0.000000 0.000000 4.245442\nU Cl\n3 1\ndirect\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Cl"
],
"chemical_system": "Cl-U",
"density": 16.265784690228678,
"density_atomic": 0.05227466461865135,
"volume": 76.51890316619686,
"volume_molar": 11.520190141691181,
"formula_full": "U3 Cl1",
"formula_reduced": "U3Cl",
"formula_anonymous": "AB3",
"energy": -35.3527548,
"energy_per_atom": -8.8381887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.7387548,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.280362,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.430000Z",
"spacegroup": 221
},
{
"id": "mp-1183250",
"created_at": "2022-09-04T14:42:10.790740Z",
"structure_string": "Ag6 Hg2\n1.0\n3.011222 -5.215589 0.000000\n3.011222 5.215589 0.000000\n0.000000 0.000000 4.839206\nAg Hg\n6 2\ndirect\n0.164500 0.329000 0.250000 Ag\n0.671000 0.835500 0.250000 Ag\n0.164500 0.835500 0.250000 Ag\n0.835500 0.671000 0.750000 Ag\n0.329000 0.164500 0.750000 Ag\n0.835500 0.164500 0.750000 Ag\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.453056279556616,
"density_atomic": 0.052630772672230555,
"volume": 152.00232855826988,
"volume_molar": 11.442242730320864,
"formula_full": "Ag6 Hg2",
"formula_reduced": "Ag3Hg",
"formula_anonymous": "AB3",
"energy": -17.38456792,
"energy_per_atom": -2.17307099,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.38456792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.768000Z",
"spacegroup": 194
},
{
"id": "mp-1235698",
"created_at": "2022-09-04T14:42:08.302561Z",
"structure_string": "Li1 O8\n1.0\n4.263617 -0.039126 1.654335\n1.548861 5.106355 1.946374\n0.053763 0.033700 5.679628\nLi O\n1 8\ndirect\n0.009182 0.605267 0.605267 Li\n0.848359 0.276626 0.798996 O\n0.160800 0.211397 0.740169 O\n0.160800 0.740169 0.211397 O\n0.848359 0.798996 0.276626 O\n0.829867 0.201236 0.201236 O\n0.174992 0.783228 0.783228 O\n0.131125 0.142440 0.142440 O\n0.864294 0.847783 0.847783 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 1.8165586636855795,
"density_atomic": 0.07296496253609698,
"volume": 123.34687344693079,
"volume_molar": 8.25346926892582,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy": -44.72671513,
"energy_per_atom": -4.969635014444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.43871513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.687000Z",
"spacegroup": 8
},
{
"id": "mp-1205873",
"created_at": "2022-09-04T14:42:08.274408Z",
"structure_string": "Mg2 Hg6\n1.0\n2.540731 -4.400675 0.000000\n2.540731 4.400675 0.000000\n0.000000 0.000000 9.066713\nMg Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.573997 Hg\n0.666667 0.333333 0.426003 Hg\n0.666667 0.333333 0.073997 Hg\n0.333333 0.666667 0.926003 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.255282028775238,
"density_atomic": 0.03945773393419342,
"volume": 202.74859203374913,
"volume_molar": 15.26225700148815,
"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -5.65540184,
"energy_per_atom": -0.70692523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.65540184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.29e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.202000Z",
"spacegroup": 194
},
{
"id": "mp-1038955",
"created_at": "2022-09-04T14:42:08.035079Z",
"structure_string": "Ce2 Mg4\n1.0\n1.589836 6.647301 0.000000\n-1.589836 6.647301 0.000000\n0.000000 1.606266 7.243409\nCe Mg\n2 4\ndirect\n0.516333 0.516333 0.674267 Ce\n0.483667 0.483667 0.325733 Ce\n0.794104 0.794104 0.647815 Mg\n0.148700 0.148700 0.968929 Mg\n0.851300 0.851300 0.031071 Mg\n0.205896 0.205896 0.352185 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.093927550119055,
"density_atomic": 0.039190479281994324,
"volume": 153.09840833604298,
"volume_molar": 15.366336085526804,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy": -18.21216624,
"energy_per_atom": -3.0353610399999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.21216624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8257278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.121000Z",
"spacegroup": 12
},
{
"id": "mp-1182537",
"created_at": "2022-09-04T14:42:10.919572Z",
"structure_string": "B9 C1\n1.0\n-7.605043 7.605043 4.370555\n7.605043 -7.605043 4.370555\n7.605043 7.605043 -4.370555\nB C\n9 1\ndirect\n0.000000 0.553105 0.553105 B\n0.000000 0.446895 0.446895 B\n0.446895 0.000000 0.446895 B\n0.553105 0.000000 0.553105 B\n0.658288 0.158288 0.500000 B\n0.341712 0.841712 0.500000 B\n0.841712 0.341712 0.500000 B\n0.158288 0.658288 0.500000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 C\n",
"nsites": 10,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 0.17951794609426688,
"density_atomic": 0.009890086064634394,
"volume": 1011.1135469041714,
"volume_molar": 60.890681037997815,
"formula_full": "B9 C1",
"formula_reduced": "B9C",
"formula_anonymous": "AB9",
"energy": -43.856633,
"energy_per_atom": -4.3856633,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.856633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1642904,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.370000Z",
"spacegroup": 139
}
]
}