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=formula_anonymous&page=57",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=55",
"results": [
{
"id": "mp-7",
"created_at": "2022-09-04T14:40:42.935966Z",
"structure_string": "S6\n1.0\n3.660203 -5.539839 0.000000\n3.660203 5.539839 0.000000\n-4.724527 0.000000 4.665378\nS\n6\ndirect\n0.124312 0.228228 0.897566 S\n0.228228 0.897566 0.124312 S\n0.897566 0.124312 0.228228 S\n0.875688 0.771772 0.102434 S\n0.771772 0.102434 0.875688 S\n0.102434 0.875688 0.771772 S\n",
"nsites": 6,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6885442388010592,
"density_atomic": 0.031712618397196635,
"volume": 189.19913596697504,
"volume_molar": 18.989730474391706,
"formula_full": "S6",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -24.43169614,
"energy_per_atom": -4.071949356666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43169614,
"band_gap": 2.5113,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.282000Z",
"spacegroup": 148
},
{
"id": "mp-1178608",
"created_at": "2022-09-04T14:46:26.216241Z",
"structure_string": "Zr1\n1.0\n1.458969 -2.527009 0.000000\n1.458969 2.527009 0.000000\n0.000000 0.000000 7.600479\nZr\n1\ndirect\n0.000000 0.000000 0.000000 Zr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Zr"
],
"chemical_system": "Zr",
"density": 2.7029275000963153,
"density_atomic": 0.01784334152775591,
"volume": 56.04331444558559,
"volume_molar": 33.75007282482578,
"formula_full": "Zr1",
"formula_reduced": "Zr",
"formula_anonymous": "A",
"energy": -6.74613904,
"energy_per_atom": -6.74613904,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.74613904,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0513561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.392000Z",
"spacegroup": 191
},
{
"id": "mp-1057315",
"created_at": "2022-09-04T14:48:11.941860Z",
"structure_string": "Eu2\n1.0\n1.911456 -3.378716 0.000000\n1.911456 3.378716 0.000000\n0.000000 0.000000 6.419474\nEu\n2\ndirect\n0.849570 0.150430 0.750000 Eu\n0.150430 0.849570 0.250000 Eu\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Eu"
],
"chemical_system": "Eu",
"density": 6.086594594234831,
"density_atomic": 0.024120403127190777,
"volume": 82.91735380431568,
"volume_molar": 24.966998802815528,
"formula_full": "Eu2",
"formula_reduced": "Eu",
"formula_anonymous": "A",
"energy": -20.58408695,
"energy_per_atom": -10.292043475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.58408695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.0594311,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:42.232000Z",
"spacegroup": 63
},
{
"id": "mp-570316",
"created_at": "2022-09-04T14:45:57.999681Z",
"structure_string": "B48\n1.0\n8.674871 0.000000 0.000000\n0.000000 8.674871 0.000000\n0.000000 0.000000 4.972098\nB\n48\ndirect\n0.829242 0.416037 0.906431 B\n0.583004 0.727210 0.411368 B\n0.583004 0.272790 0.588632 B\n0.125057 0.874943 0.617215 B\n0.374943 0.625057 0.882785 B\n0.583963 0.170758 0.906431 B\n0.416996 0.727210 0.588632 B\n0.272790 0.416996 0.411368 B\n0.416037 0.170758 0.093569 B\n0.416996 0.272790 0.411368 B\n0.755846 0.755846 0.576735 B\n0.255846 0.255846 0.923265 B\n0.329242 0.083963 0.406431 B\n0.170758 0.583963 0.906431 B\n0.244154 0.755846 0.423265 B\n0.416037 0.829242 0.906431 B\n0.772790 0.916996 0.088632 B\n0.255846 0.744154 0.076735 B\n0.083004 0.772790 0.911368 B\n0.670758 0.083963 0.593569 B\n0.227210 0.083004 0.088632 B\n0.727210 0.583004 0.411368 B\n0.916037 0.670758 0.406431 B\n0.244154 0.244154 0.576735 B\n0.916996 0.227210 0.911368 B\n0.829242 0.583963 0.093569 B\n0.083963 0.670758 0.593569 B\n0.625057 0.374943 0.882785 B\n0.916037 0.329242 0.593569 B\n0.744154 0.255846 0.076735 B\n0.125057 0.125057 0.382785 B\n0.744154 0.744154 0.923265 B\n0.227210 0.916996 0.911368 B\n0.772790 0.083004 0.911368 B\n0.272790 0.583004 0.588632 B\n0.916996 0.772790 0.088632 B\n0.083004 0.227210 0.088632 B\n0.727210 0.416996 0.588632 B\n0.670758 0.916037 0.406431 B\n0.583963 0.829242 0.093569 B\n0.625057 0.625057 0.117215 B\n0.170758 0.416037 0.093569 B\n0.755846 0.244154 0.423265 B\n0.874943 0.125057 0.617215 B\n0.083963 0.329242 0.406431 B\n0.374943 0.374943 0.117215 B\n0.874943 0.874943 0.382785 B\n0.329242 0.916037 0.593569 B\n",
"nsites": 48,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.3029816182292575,
"density_atomic": 0.12828489018094494,
"volume": 374.1672143328519,
"volume_molar": 4.694349234353175,
"formula_full": "B48",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -313.15800344,
"energy_per_atom": -6.524125071666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.15800344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.123000Z",
"spacegroup": 134
},
{
"id": "mp-667273",
"created_at": "2022-09-04T14:43:49.709357Z",
"structure_string": "C60\n1.0\n0.000000 7.011748 7.011748\n7.011748 0.000000 7.011748\n7.011748 7.011748 0.000000\nC\n60\ndirect\n0.426958 0.202157 0.901457 C\n0.098543 0.530572 0.573042 C\n0.901618 0.265831 0.301438 C\n0.202157 0.901457 0.426958 C\n0.573042 0.530572 0.797843 C\n0.734169 0.098382 0.468887 C\n0.901457 0.426958 0.202157 C\n0.698562 0.098382 0.734169 C\n0.699002 0.200941 0.799059 C\n0.468887 0.098382 0.698562 C\n0.797843 0.530572 0.098543 C\n0.531113 0.901618 0.301438 C\n0.799059 0.200941 0.300998 C\n0.530572 0.573042 0.098543 C\n0.469428 0.202157 0.426958 C\n0.098543 0.573042 0.797843 C\n0.468887 0.734169 0.098382 C\n0.426958 0.901457 0.469428 C\n0.573042 0.098543 0.530572 C\n0.530572 0.098543 0.797843 C\n0.301438 0.265831 0.531113 C\n0.098543 0.797843 0.530572 C\n0.200941 0.799059 0.699002 C\n0.098382 0.468887 0.734169 C\n0.265831 0.901618 0.531113 C\n0.202157 0.469428 0.901457 C\n0.901457 0.469428 0.426958 C\n0.300998 0.799059 0.200941 C\n0.301438 0.901618 0.265831 C\n0.530572 0.797843 0.573042 C\n0.265831 0.531113 0.301438 C\n0.301438 0.531113 0.901618 C\n0.098382 0.698562 0.468887 C\n0.200941 0.699002 0.300998 C\n0.468887 0.698562 0.734169 C\n0.573042 0.797843 0.098543 C\n0.300998 0.200941 0.699002 C\n0.531113 0.265831 0.901618 C\n0.734169 0.468887 0.698562 C\n0.265831 0.301438 0.901618 C\n0.202157 0.426958 0.469428 C\n0.901618 0.301438 0.531113 C\n0.799059 0.300998 0.699002 C\n0.698562 0.468887 0.098382 C\n0.300998 0.699002 0.799059 C\n0.734169 0.698562 0.098382 C\n0.901457 0.202157 0.469428 C\n0.469428 0.426958 0.901457 C\n0.698562 0.734169 0.468887 C\n0.699002 0.300998 0.200941 C\n0.799059 0.699002 0.200941 C\n0.797843 0.573042 0.530572 C\n0.797843 0.098543 0.573042 C\n0.531113 0.301438 0.265831 C\n0.901618 0.531113 0.265831 C\n0.426958 0.469428 0.202157 C\n0.098382 0.734169 0.698562 C\n0.699002 0.799059 0.300998 C\n0.469428 0.901457 0.202157 C\n0.200941 0.300998 0.799059 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.735640492677213,
"density_atomic": 0.08702466433488479,
"volume": 689.4597118939802,
"volume_molar": 6.920039055624326,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -530.27934925,
"energy_per_atom": -8.837989154166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -530.27934925,
"band_gap": 1.0093,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.488000Z",
"spacegroup": 202
},
{
"id": "mp-105",
"created_at": "2022-09-04T14:45:22.109555Z",
"structure_string": "Te4\n1.0\n3.196941 0.000000 0.000000\n0.000000 4.428183 0.000000\n0.000000 0.000000 9.268765\nTe\n4\ndirect\n0.500000 0.525868 0.750000 Te\n0.500000 0.474132 0.250000 Te\n0.500000 0.000000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Te"
],
"chemical_system": "Te",
"density": 6.459184802981083,
"density_atomic": 0.030484420134676577,
"volume": 131.21456738650338,
"volume_molar": 19.754814864100716,
"formula_full": "Te4",
"formula_reduced": "Te",
"formula_anonymous": "A",
"energy": -12.38496355,
"energy_per_atom": -3.0962408875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38496355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.670000Z",
"spacegroup": 51
},
{
"id": "mp-729184",
"created_at": "2022-09-04T14:46:01.480229Z",
"structure_string": "B40\n1.0\n5.198302 0.000000 0.000000\n0.000000 11.824588 0.000000\n0.000000 4.612363 11.206722\nB\n40\ndirect\n0.021152 0.205527 0.141235 B\n0.978848 0.794473 0.858765 B\n0.978848 0.705527 0.641235 B\n0.021152 0.294473 0.358765 B\n0.830197 0.322558 0.136969 B\n0.169803 0.677442 0.863031 B\n0.169803 0.822558 0.636969 B\n0.830197 0.177442 0.363031 B\n0.129712 0.342279 0.103077 B\n0.870288 0.657721 0.896923 B\n0.870288 0.842279 0.603077 B\n0.129712 0.157721 0.396923 B\n0.029288 0.392191 0.200900 B\n0.970712 0.607809 0.799100 B\n0.970712 0.892191 0.700900 B\n0.029288 0.107809 0.299100 B\n0.769995 0.325320 0.272605 B\n0.230005 0.674680 0.727395 B\n0.230005 0.825320 0.772605 B\n0.769995 0.174680 0.227395 B\n0.520694 0.632995 0.215925 B\n0.479306 0.367005 0.784075 B\n0.479306 0.132995 0.715925 B\n0.520694 0.867005 0.284075 B\n0.328565 0.636624 0.326816 B\n0.671435 0.363376 0.673184 B\n0.671435 0.136624 0.826816 B\n0.328565 0.863376 0.173184 B\n0.627088 0.601705 0.348618 B\n0.372912 0.398295 0.651382 B\n0.372912 0.101705 0.848618 B\n0.627088 0.898295 0.151382 B\n0.527466 0.708682 0.388436 B\n0.472534 0.291318 0.611564 B\n0.472534 0.208682 0.888436 B\n0.527466 0.791318 0.111564 B\n0.269063 0.720968 0.180416 B\n0.730937 0.279032 0.819584 B\n0.730937 0.220968 0.680416 B\n0.269063 0.779032 0.319584 B\n",
"nsites": 40,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 1.0424346366010313,
"density_atomic": 0.058067598898161994,
"volume": 688.8523162487112,
"volume_molar": 10.370914028254436,
"formula_full": "B40",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -207.23106769,
"energy_per_atom": -5.18077669225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.23106769,
"band_gap": 0.5116,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.574000Z",
"spacegroup": 13
},
{
"id": "mp-1186444",
"created_at": "2022-09-04T14:42:52.778092Z",
"structure_string": "Pb4\n1.0\n1.781954 -3.086435 0.000000\n1.781954 3.086435 0.000000\n0.000000 0.000000 11.601870\nPb\n4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.250000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.784182414263372,
"density_atomic": 0.03134356394915727,
"volume": 127.61790607119352,
"volume_molar": 19.21332484642965,
"formula_full": "Pb4",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -14.78208135,
"energy_per_atom": -3.6955203375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.78208135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.766000Z",
"spacegroup": 194
},
{
"id": "mp-1186429",
"created_at": "2022-09-04T14:41:33.995780Z",
"structure_string": "Pm1\n1.0\n0.000000 2.584081 2.584081\n2.584081 0.000000 2.584081\n2.584081 2.584081 0.000000\nPm\n1\ndirect\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.977000201890157,
"density_atomic": 0.028976880905414445,
"volume": 34.5102705589388,
"volume_molar": 20.782570697161333,
"formula_full": "Pm1",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -4.74098422,
"energy_per_atom": -4.74098422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.74098422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.603000Z",
"spacegroup": 225
},
{
"id": "mp-632172",
"created_at": "2022-09-04T14:42:43.457821Z",
"structure_string": "H2\n1.0\n-2.228394 2.228394 1.573944\n2.228394 -2.228394 1.573944\n2.228394 2.228394 -1.573944\nH\n2\ndirect\n0.880842 0.880842 0.000000 H\n0.119158 0.119158 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.10707314152038881,
"density_atomic": 0.0639730073292075,
"volume": 31.263185576190356,
"volume_molar": 9.413565207291,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.7841656,
"energy_per_atom": -3.3920828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.7841656,
"band_gap": 9.3289,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.322000Z",
"spacegroup": 139
},
{
"id": "mp-1179641",
"created_at": "2022-09-04T14:40:20.237904Z",
"structure_string": "S4\n1.0\n5.891077 -1.185119 -0.003537\n-1.264447 5.901926 -0.003490\n-0.000217 0.004001 3.772683\nS\n4\ndirect\n0.332491 0.975856 0.749642 S\n0.667191 0.023684 0.749772 S\n0.021010 0.666242 0.250100 S\n0.979309 0.334218 0.250485 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6968151577302757,
"density_atomic": 0.03186795486382225,
"volume": 125.51793854022799,
"volume_molar": 18.897167344857046,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.1680996,
"energy_per_atom": -3.7920249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1680996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.551000Z",
"spacegroup": 66
},
{
"id": "mp-99",
"created_at": "2022-09-04T14:39:13.064391Z",
"structure_string": "Er2\n1.0\n1.793652 -3.106697 0.000000\n1.793652 3.106697 0.000000\n0.000000 0.000000 5.545683\nEr\n2\ndirect\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Er"
],
"chemical_system": "Er",
"density": 8.987656551709964,
"density_atomic": 0.03235995245436004,
"volume": 61.804787965024616,
"volume_molar": 18.60985663836661,
"formula_full": "Er2",
"formula_reduced": "Er",
"formula_anonymous": "A",
"energy": -9.12207932,
"energy_per_atom": -4.56103966,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.12207932,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5174163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.120000Z",
"spacegroup": 194
}
]
}