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=-volume_molar&page=2",
"previous": null,
"results": [
{
"id": "mp-1068462",
"created_at": "2022-09-04T14:40:08.129401Z",
"structure_string": "La2 S2\n1.0\n0.000000 -12.780278 0.000000\n-12.847577 0.000000 0.000000\n0.000000 0.000000 -90.953457\nLa S\n2 2\ndirect\n0.999823 0.000000 0.673714 La\n0.999823 0.000000 0.326286 La\n0.994377 0.000000 0.699483 S\n0.994377 0.000000 0.300517 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"S"
],
"chemical_system": "La-S",
"density": 0.03802064306591636,
"density_atomic": 0.0002678423524340688,
"volume": 14934.15796138748,
"volume_molar": 2248.3900343887517,
"formula_full": "La2 S2",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy": -17.1278367,
"energy_per_atom": -4.281959175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.1218367,
"band_gap": 0.6296000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9941796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.653000Z",
"spacegroup": 25
},
{
"id": "mp-1101023",
"created_at": "2022-09-04T14:39:48.256121Z",
"structure_string": "Ti2 S2\n1.0\n20.007067 -0.000000 0.000000\n-20.007067 34.648165 0.000000\n0.000000 0.000000 18.623698\nTi S\n2 2\ndirect\n-0.000000 -0.000000 0.114633 Ti\n-0.000000 0.500000 0.885367 Ti\n-0.000000 0.000000 0.002862 S\n0.000000 0.500000 0.997138 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 0.02056222877830869,
"density_atomic": 0.00030983494992015793,
"volume": 12910.0993965683,
"volume_molar": 1943.660894793134,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy": -19.53763946,
"energy_per_atom": -4.884409865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.53163946,
"band_gap": 0.7961,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.575000Z",
"spacegroup": 59
},
{
"id": "mp-1101037",
"created_at": "2022-09-04T14:47:58.696580Z",
"structure_string": "Ti2 N2 F2\n1.0\n23.514386 -0.089971 -8.864662\n-3.324494 23.278363 -8.864662\n-0.312669 -0.359105 24.646471\nTi N F\n2 2 2\ndirect\n0.372128 0.122127 0.244258 Ti\n0.622127 0.872128 0.744258 Ti\n0.335036 0.085036 0.170071 N\n0.585036 0.835036 0.670071 N\n0.417837 0.167837 0.335672 F\n0.667837 0.917837 0.835672 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"N",
"F"
],
"chemical_system": "F-N-Ti",
"density": 0.02014371707983917,
"density_atomic": 0.00045000053761305855,
"volume": 13333.317404076555,
"volume_molar": 1338.2519034184468,
"formula_full": "Ti2 N2 F2",
"formula_reduced": "TiNF",
"formula_anonymous": "ABC",
"energy": -37.10921936,
"energy_per_atom": -6.184869893333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.46321936,
"band_gap": 0.8709999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.053000Z",
"spacegroup": 9
},
{
"id": "mp-1207316",
"created_at": "2022-09-04T14:47:09.568187Z",
"structure_string": "Nd2 Cu1 Sb3\n1.0\n15.429748 0.000000 0.000000\n0.000000 15.429748 0.000000\n-0.000000 -0.000000 46.672180\nNd Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.247195 Nd\n0.500000 0.500000 0.752805 Nd\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.695024 Sb\n0.500000 0.500000 0.304976 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Sb"
],
"chemical_system": "Cu-Nd-Sb",
"density": 0.107196407193847,
"density_atomic": 0.0005399772929227633,
"volume": 11111.57835457022,
"volume_molar": 1115.2581486165177,
"formula_full": "Nd2 Cu1 Sb3",
"formula_reduced": "Nd2CuSb3",
"formula_anonymous": "AB2C3",
"energy": -12.09251435,
"energy_per_atom": -2.0154190583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.51651435,
"band_gap": 0.2103000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9224786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.442000Z",
"spacegroup": 123
},
{
"id": "mp-1180180",
"created_at": "2022-09-04T14:44:15.597387Z",
"structure_string": "Rb2 Cu4 I6\n1.0\n20.957172 -0.000000 0.000000\n-0.000000 30.582269 -6.883468\n-0.000000 -0.001255 31.347366\nRb Cu I\n2 4 6\ndirect\n0.750000 0.183195 0.816805 Rb\n0.250000 0.816805 0.183195 Rb\n0.500000 0.839994 0.839994 Cu\n-0.000000 0.160006 0.160006 Cu\n0.000000 0.839994 0.839994 Cu\n0.500000 0.160006 0.160006 Cu\n0.750000 0.164396 0.413003 I\n0.250000 0.884296 0.115704 I\n0.250000 0.835604 0.586997 I\n0.750000 0.586997 0.835604 I\n0.250000 0.413003 0.164396 I\n0.750000 0.115704 0.884296 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"I"
],
"chemical_system": "Cu-I-Rb",
"density": 0.09806957832472514,
"density_atomic": 0.0005972851581982957,
"volume": 20090.906052643048,
"volume_molar": 1008.25220204127,
"formula_full": "Rb2 Cu4 I6",
"formula_reduced": "RbCu2I3",
"formula_anonymous": "AB2C3",
"energy": -14.16235398,
"energy_per_atom": -1.1801961650000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.88835398,
"band_gap": 0.8325000000000005,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.947776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.966000Z",
"spacegroup": 63
},
{
"id": "mp-1247813",
"created_at": "2022-09-04T14:42:00.611467Z",
"structure_string": "Al1 Ag7 Se5\n1.0\n25.227086 0.255571 15.109131\n8.443308 24.068319 15.442602\n-0.785383 -0.126280 31.554843\nAl Ag Se\n1 7 5\ndirect\n0.499989 0.499909 0.500073 Al\n0.103937 0.276055 0.809935 Ag\n0.430122 0.518457 0.025734 Ag\n0.522239 0.025724 0.426349 Ag\n0.518512 0.430171 0.025687 Ag\n0.342068 0.946990 0.947052 Ag\n0.810012 0.809944 0.276003 Ag\n0.947125 0.947048 0.763749 Ag\n0.133402 0.622143 0.622235 Se\n0.622178 0.133496 0.622150 Se\n0.622263 0.622181 0.133301 Se\n0.622209 0.622226 0.622188 Se\n0.982345 0.982257 0.982345 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Al",
"Ag",
"Se"
],
"chemical_system": "Ag-Al-Se",
"density": 0.10069788002532618,
"density_atomic": 0.0006698694503524695,
"volume": 19406.766487350193,
"volume_molar": 899.0021498713355,
"formula_full": "Al1 Ag7 Se5",
"formula_reduced": "AlAg7Se5",
"formula_anonymous": "AB5C7",
"energy": -11.77803356,
"energy_per_atom": -0.9060025815384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.41803356,
"band_gap": 0.0257999999999993,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.3652042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.526000Z",
"spacegroup": 1
},
{
"id": "mp-1207077",
"created_at": "2022-09-04T14:44:04.185184Z",
"structure_string": "La2 Zn1 Sb3\n1.0\n13.548390 0.000000 -0.000000\n0.000000 13.548390 0.000000\n-0.000000 0.000000 47.453585\nLa Zn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.247313 La\n0.500000 0.500000 0.752687 La\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.695408 Sb\n0.500000 0.500000 0.304592 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Zn",
"Sb"
],
"chemical_system": "La-Sb-Zn",
"density": 0.13506552410428466,
"density_atomic": 0.0006888217364650136,
"volume": 8710.526515599802,
"volume_molar": 874.2669461775724,
"formula_full": "La2 Zn1 Sb3",
"formula_reduced": "La2ZnSb3",
"formula_anonymous": "AB2C3",
"energy": -12.96516855,
"energy_per_atom": -2.160861425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38916855,
"band_gap": 0.1511,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.937718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.050000Z",
"spacegroup": 123
},
{
"id": "mp-1212332",
"created_at": "2022-09-04T14:39:41.880222Z",
"structure_string": "In1 Sb2\n1.0\n15.710309 0.000000 0.000000\n0.000000 16.547481 0.000000\n0.000000 0.000000 16.636454\nIn Sb\n1 2\ndirect\n0.500000 0.000000 0.500000 In\n0.500000 0.837010 0.500000 Sb\n0.500000 0.162990 0.500000 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"Sb"
],
"chemical_system": "In-Sb",
"density": 0.13758293859148263,
"density_atomic": 0.0006936555620604051,
"volume": 4324.913060725596,
"volume_molar": 868.1745075483988,
"formula_full": "In1 Sb2",
"formula_reduced": "InSb2",
"formula_anonymous": "AB2",
"energy": -7.0361136900000005,
"energy_per_atom": -2.34537123,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65211369,
"band_gap": 0.0026999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9927222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.181000Z",
"spacegroup": 47
},
{
"id": "mp-1207331",
"created_at": "2022-09-04T14:48:19.269942Z",
"structure_string": "Tb2 Se2 I2\n1.0\n12.167791 -0.000000 0.000000\n-0.000000 15.962122 0.000000\n0.000000 0.000000 42.796408\nTb Se I\n2 2 2\ndirect\n0.500000 0.500000 0.113811 Tb\n0.500000 0.500000 0.886189 Tb\n0.500000 0.500000 0.670433 Se\n0.500000 0.500000 0.329567 Se\n0.500000 0.500000 0.049366 I\n0.500000 0.500000 0.950634 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Se",
"I"
],
"chemical_system": "I-Se-Tb",
"density": 0.14575119252693083,
"density_atomic": 0.0007218410296962484,
"volume": 8312.079465093315,
"volume_molar": 834.275209118291,
"formula_full": "Tb2 Se2 I2",
"formula_reduced": "TbSeI",
"formula_anonymous": "ABC",
"energy": -13.009646189999998,
"energy_per_atom": -2.168274365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30764619,
"band_gap": 0.0781999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.7144899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:04.775000Z",
"spacegroup": 47
},
{
"id": "mp-1212550",
"created_at": "2022-09-04T14:44:18.437818Z",
"structure_string": "Sc3 Sb2\n1.0\n12.840597 0.000000 0.000000\n0.000000 12.840597 -0.000000\n0.000000 -0.000000 41.961660\nSc Sb\n3 2\ndirect\n0.500000 0.500000 -0.000000 Sc\n0.500000 0.500000 0.657530 Sc\n0.500000 0.500000 0.342470 Sc\n0.500000 0.500000 0.282933 Sb\n0.500000 0.500000 0.717067 Sb\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Sb"
],
"chemical_system": "Sb-Sc",
"density": 0.09081614378619295,
"density_atomic": 0.0007226814578232693,
"volume": 6918.677580382508,
"volume_molar": 833.3050052423935,
"formula_full": "Sc3 Sb2",
"formula_reduced": "Sc3Sb2",
"formula_anonymous": "A2B3",
"energy": -15.079598270000002,
"energy_per_atom": -3.015919654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.695598269999998,
"band_gap": 0.125,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.9793064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.774000Z",
"spacegroup": 123
},
{
"id": "mp-1207368",
"created_at": "2022-09-04T14:41:50.995056Z",
"structure_string": "Sm2 Sb3 Pd1\n1.0\n15.093568 -0.000000 0.000000\n-0.000000 15.093568 0.000000\n-0.000000 0.000000 35.471372\nSm Sb Pd\n2 3 1\ndirect\n0.500000 0.500000 0.236864 Sm\n0.500000 0.500000 0.763136 Sm\n0.500000 0.500000 0.687339 Sb\n0.500000 0.500000 0.312661 Sb\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-Sm",
"density": 0.15872333844385297,
"density_atomic": 0.0007424879881434904,
"volume": 8080.9388108787325,
"volume_molar": 811.0758498676457,
"formula_full": "Sm2 Sb3 Pd1",
"formula_reduced": "Sm2Sb3Pd",
"formula_anonymous": "AB2C3",
"energy": -13.11962964,
"energy_per_atom": -2.18660494,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.54362964,
"band_gap": 0.1482000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9011063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.039000Z",
"spacegroup": 123
},
{
"id": "mp-1100910",
"created_at": "2022-09-04T14:40:28.511899Z",
"structure_string": "V1 Sb1 O4\n1.0\n17.055095 0.000000 0.000000\n0.000000 21.753393 -0.747776\n0.000000 -0.747776 21.753393\nV Sb O\n1 1 4\ndirect\n-0.000000 -0.000000 -0.000000 V\n0.500000 0.500000 0.500000 Sb\n-0.000000 0.368623 0.368623 O\n0.500000 0.559180 0.440820 O\n0.500000 0.440820 0.559180 O\n-0.000000 0.631377 0.631377 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 0.048758578644010925,
"density_atomic": 0.0007443146778840383,
"volume": 8061.106650559402,
"volume_molar": 809.0853155173476,
"formula_full": "V1 Sb1 O4",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy": -24.891786340000003,
"energy_per_atom": -4.148631056666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.44378634,
"band_gap": 0.0379000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.369285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.391000Z",
"spacegroup": 65
}
]
}