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=-energy_per_atom&page=39",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=37",
"results": [
{
"id": "mp-1186860",
"created_at": "2022-09-04T14:43:16.270703Z",
"structure_string": "Rb6 Mg2\n1.0\n4.613173 -7.990250 0.000000\n4.613173 7.990250 0.000000\n0.000000 0.000000 7.052788\nRb Mg\n6 2\ndirect\n0.176831 0.353662 0.250000 Rb\n0.176831 0.823169 0.250000 Rb\n0.646338 0.823169 0.250000 Rb\n0.353662 0.176831 0.750000 Rb\n0.823169 0.176831 0.750000 Rb\n0.823169 0.646338 0.750000 Rb\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7930135325871175,
"density_atomic": 0.015386472056491296,
"volume": 519.9372520632456,
"volume_molar": 39.13919147865582,
"formula_full": "Rb6 Mg2",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy": -7.66549187,
"energy_per_atom": -0.95818648375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.66549187,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082751,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.252000Z",
"spacegroup": 194
},
{
"id": "mp-1186852",
"created_at": "2022-09-04T14:40:27.091772Z",
"structure_string": "Rb3 Mg1\n1.0\n0.000000 5.078816 5.078816\n5.078816 0.000000 5.078816\n5.078816 5.078816 0.000000\nRb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.7790455727895775,
"density_atomic": 0.015266608140684175,
"volume": 262.0097380596512,
"volume_molar": 39.44648807714873,
"formula_full": "Rb3 Mg1",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy": -3.83305161,
"energy_per_atom": -0.9582629025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.83305161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.565000Z",
"spacegroup": 225
},
{
"id": "mp-1218949",
"created_at": "2022-09-04T14:45:25.105373Z",
"structure_string": "Sr14 Hg51\n1.0\n7.086250 -12.273746 0.000000\n7.086250 12.273746 0.000000\n0.000000 0.000000 10.372580\nSr Hg\n14 51\ndirect\n0.798401 0.992284 0.500000 Sr\n0.193883 0.201599 0.500000 Sr\n0.007716 0.806117 0.500000 Sr\n0.865644 0.340266 0.500000 Sr\n0.474622 0.134356 0.500000 Sr\n0.659734 0.525378 0.500000 Sr\n0.448350 0.392934 0.000000 Sr\n0.944584 0.551650 0.000000 Sr\n0.607066 0.055416 0.000000 Sr\n0.216746 0.947960 0.000000 Sr\n0.731214 0.783254 0.000000 Sr\n0.052040 0.268786 0.000000 Sr\n0.333333 0.666667 0.691643 Sr\n0.333333 0.666667 0.308357 Sr\n0.825889 0.045714 0.852735 Hg\n0.219825 0.174111 0.852735 Hg\n0.954286 0.780175 0.852735 Hg\n0.838825 0.286379 0.853348 Hg\n0.447555 0.161175 0.853348 Hg\n0.713621 0.552445 0.853348 Hg\n0.838825 0.286379 0.146652 Hg\n0.447555 0.161175 0.146652 Hg\n0.713621 0.552445 0.146652 Hg\n0.825889 0.045714 0.147265 Hg\n0.219825 0.174111 0.147265 Hg\n0.954286 0.780175 0.147265 Hg\n0.389577 0.487619 0.500000 Hg\n0.098042 0.610423 0.500000 Hg\n0.512381 0.901958 0.500000 Hg\n0.276859 0.843339 0.500000 Hg\n0.566480 0.723141 0.500000 Hg\n0.156661 0.433520 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.000000 Hg\n0.438608 0.328040 0.664124 Hg\n0.889431 0.561392 0.664124 Hg\n0.671960 0.110569 0.664124 Hg\n0.226417 0.002620 0.663808 Hg\n0.776204 0.773583 0.663808 Hg\n0.997380 0.223796 0.663808 Hg\n0.226417 0.002620 0.336192 Hg\n0.776204 0.773583 0.336192 Hg\n0.997380 0.223796 0.336192 Hg\n0.438608 0.328040 0.335876 Hg\n0.889431 0.561392 0.335876 Hg\n0.671960 0.110569 0.335876 Hg\n0.527320 0.589658 0.771189 Hg\n0.062338 0.472680 0.771189 Hg\n0.410342 0.937662 0.771189 Hg\n0.141504 0.741190 0.776096 Hg\n0.599686 0.858496 0.776096 Hg\n0.258810 0.400314 0.776096 Hg\n0.141504 0.741190 0.223904 Hg\n0.599686 0.858496 0.223904 Hg\n0.258810 0.400314 0.223904 Hg\n0.527320 0.589658 0.228811 Hg\n0.062338 0.472680 0.228811 Hg\n0.410342 0.937662 0.228811 Hg\n0.000000 0.000000 0.688021 Hg\n0.666667 0.333333 0.692326 Hg\n0.666667 0.333333 0.307674 Hg\n0.000000 0.000000 0.311979 Hg\n0.461892 0.683509 0.000000 Hg\n0.221618 0.538108 0.000000 Hg\n0.316491 0.778382 0.000000 Hg\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.543890856675631,
"density_atomic": 0.036024915135154593,
"volume": 1804.306818104627,
"volume_molar": 16.71659943515966,
"formula_full": "Sr14 Hg51",
"formula_reduced": "Sr14Hg51",
"formula_anonymous": "A14B51",
"energy": -62.3157323,
"energy_per_atom": -0.9587035738461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.3157323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.149000Z",
"spacegroup": 174
},
{
"id": "mp-1186891",
"created_at": "2022-09-04T14:40:55.534351Z",
"structure_string": "Rb3 Yb1\n1.0\n-3.742298 3.742298 5.462788\n3.742298 -3.742298 5.462788\n3.742298 3.742298 -5.462788\nRb Yb\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 2.3302577282082293,
"density_atomic": 0.013071003118173274,
"volume": 306.020889432625,
"volume_molar": 46.072521791591605,
"formula_full": "Rb3 Yb1",
"formula_reduced": "Rb3Yb",
"formula_anonymous": "AB3",
"energy": -3.84380468,
"energy_per_atom": -0.96095117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84380468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0466168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.298000Z",
"spacegroup": 139
},
{
"id": "mp-1096552",
"created_at": "2022-09-04T14:43:38.608374Z",
"structure_string": "Li2 Zn1 In1\n1.0\n-5.659438 5.666380 7.984573\n5.659438 -5.666380 7.984573\n5.659438 5.666380 -7.984573\nLi Zn In\n2 1 1\ndirect\n0.000000 0.249083 0.249083 Li\n0.000000 0.750917 0.750917 Li\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"In"
],
"chemical_system": "In-Li-Zn",
"density": 0.3147053167340577,
"density_atomic": 0.003905433990073246,
"volume": 1024.2139568015027,
"volume_molar": 154.19901540538024,
"formula_full": "Li2 Zn1 In1",
"formula_reduced": "Li2ZnIn",
"formula_anonymous": "ABC2",
"energy": -3.84474231,
"energy_per_atom": -0.9611855775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84474231,
"band_gap": 0.0024000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0012004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.128000Z",
"spacegroup": 71
},
{
"id": "mp-1096124",
"created_at": "2022-09-04T14:40:07.529368Z",
"structure_string": "Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"In"
],
"chemical_system": "Cd-In-Li",
"density": 0.3833031369224365,
"density_atomic": 0.0038294485860772293,
"volume": 1044.5368073468453,
"volume_molar": 157.2586920710926,
"formula_full": "Li2 Cd1 In1",
"formula_reduced": "Li2CdIn",
"formula_anonymous": "ABC2",
"energy": -3.84571928,
"energy_per_atom": -0.96142982,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84571928,
"band_gap": 0.0022999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0003942,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.160000Z",
"spacegroup": 71
},
{
"id": "mp-1225902",
"created_at": "2022-09-04T14:39:07.187544Z",
"structure_string": "Cs1 K1\n1.0\n2.941658 -4.090562 0.000000\n2.941658 4.090562 0.000000\n0.000000 0.000000 7.712267\nCs K\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 K\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"K"
],
"chemical_system": "Cs-K",
"density": 1.5388624628247156,
"density_atomic": 0.010775632812941293,
"volume": 185.6039487164081,
"volume_molar": 55.88665523910154,
"formula_full": "Cs1 K1",
"formula_reduced": "CsK",
"formula_anonymous": "AB",
"energy": -1.92327077,
"energy_per_atom": -0.961635385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.92327077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.134000Z",
"spacegroup": 65
},
{
"id": "mp-1398032",
"created_at": "2022-09-04T14:44:29.316516Z",
"structure_string": "Sc1 N3 F6\n1.0\n6.495050 0.000000 0.000000\n-2.268629 6.126092 0.000000\n-1.783624 -3.113293 5.461797\nSc N F\n1 3 6\ndirect\n0.877612 0.994809 0.135569 Sc\n0.951334 0.527159 0.503189 N\n0.487716 0.262737 0.259439 N\n0.483462 0.758236 0.774755 N\n0.690601 0.376227 0.623363 F\n0.951350 0.214416 0.260001 F\n0.999365 0.738767 0.263080 F\n0.978312 0.654770 0.629232 F\n0.053153 0.176924 0.793258 F\n0.527095 0.795956 0.258113 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sc",
"N",
"F"
],
"chemical_system": "F-N-Sc",
"density": 1.5355750597792401,
"density_atomic": 0.04601489465436514,
"volume": 217.32093651661472,
"volume_molar": 13.08737269798078,
"formula_full": "Sc1 N3 F6",
"formula_reduced": "Sc(NF2)3",
"formula_anonymous": "AB3C6",
"energy": -9.61900167,
"energy_per_atom": -0.9619001669999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84700167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0663568,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.813000Z",
"spacegroup": 1
},
{
"id": "mp-1093935",
"created_at": "2022-09-04T14:41:19.900384Z",
"structure_string": "Sr2 Tl1 Ga1\n1.0\n-6.441521 7.022453 9.867292\n6.441521 -7.022453 9.867292\n6.441521 7.022453 -9.867292\nSr Tl Ga\n2 1 1\ndirect\n0.000000 0.238828 0.238828 Sr\n0.000000 0.761172 0.761172 Sr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Ga"
],
"chemical_system": "Ga-Sr-Tl",
"density": 0.41792180171955423,
"density_atomic": 0.002240395808308836,
"volume": 1785.398805499195,
"volume_molar": 268.7980729863004,
"formula_full": "Sr2 Tl1 Ga1",
"formula_reduced": "Sr2TlGa",
"formula_anonymous": "ABC2",
"energy": -3.85411723,
"energy_per_atom": -0.9635293075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.85411723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9808662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.415000Z",
"spacegroup": 71
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5603450688293747,
"density_atomic": 0.01099433662959577,
"volume": 90.95591973308235,
"volume_molar": 54.77493515878835,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96390686,
"energy_per_atom": -0.96390686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96390686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.326000Z",
"spacegroup": 139
},
{
"id": "mp-1713",
"created_at": "2022-09-04T14:40:44.125218Z",
"structure_string": "Cs2 Cd26\n1.0\n0.000000 7.104386 7.104386\n7.104386 0.000000 7.104386\n7.104386 7.104386 0.000000\nCs Cd\n2 26\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.441211 0.199195 0.800805 Cd\n0.941211 0.699195 0.058789 Cd\n0.699195 0.941211 0.300805 Cd\n0.300805 0.699195 0.941211 Cd\n0.941211 0.058789 0.300805 Cd\n0.699195 0.058789 0.941211 Cd\n0.300805 0.941211 0.058789 Cd\n0.800805 0.441211 0.199195 Cd\n0.199195 0.800805 0.441211 Cd\n0.441211 0.558789 0.199195 Cd\n0.441211 0.800805 0.558789 Cd\n0.199195 0.558789 0.800805 Cd\n0.558789 0.441211 0.800805 Cd\n0.558789 0.199195 0.441211 Cd\n0.800805 0.199195 0.558789 Cd\n0.058789 0.941211 0.699195 Cd\n0.058789 0.300805 0.941211 Cd\n0.941211 0.300805 0.699195 Cd\n0.058789 0.699195 0.300805 Cd\n0.300805 0.058789 0.699195 Cd\n0.699195 0.300805 0.058789 Cd\n0.199195 0.441211 0.558789 Cd\n0.800805 0.558789 0.441211 Cd\n0.558789 0.800805 0.199195 Cd\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Cs",
"Cd"
],
"chemical_system": "Cd-Cs",
"density": 7.382873923324317,
"density_atomic": 0.03904346798565645,
"volume": 717.1494092247765,
"volume_molar": 15.42419531536588,
"formula_full": "Cs2 Cd26",
"formula_reduced": "CsCd13",
"formula_anonymous": "AB13",
"energy": -26.99831856,
"energy_per_atom": -0.964225662857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.99831856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002843,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.775000Z",
"spacegroup": 226
},
{
"id": "mp-639755",
"created_at": "2022-09-04T14:39:38.685598Z",
"structure_string": "Rb1\n1.0\n-2.918119 2.918119 2.651043\n2.918119 -2.918119 2.651043\n2.918119 2.918119 -2.651043\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.571697138639208,
"density_atomic": 0.01107432437040083,
"volume": 90.29896240648092,
"volume_molar": 54.379306209377646,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96429801,
"energy_per_atom": -0.96429801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96429801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.508000Z",
"spacegroup": 139
}
]
}