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=-density&page=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12191",
"results": [
{
"id": "mp-689577",
"created_at": "2022-09-04T14:48:16.503225Z",
"structure_string": "Na1\n1.0\n7.046241 0.000000 0.000000\n0.000000 7.046241 0.000000\n0.000000 0.000000 7.046241\nNa\n1\ndirect\n0.500000 0.500000 0.500000 Na\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Na"
],
"chemical_system": "Na",
"density": 0.10912172706669088,
"density_atomic": 0.0028584297327798594,
"volume": 349.8424287055982,
"volume_molar": 210.68003494853767,
"formula_full": "Na1",
"formula_reduced": "Na",
"formula_anonymous": "A",
"energy": -0.23878791,
"energy_per_atom": -0.23878791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.23878791,
"band_gap": 1.1572999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9999907,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:48.306000Z",
"spacegroup": 221
},
{
"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-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-1172909",
"created_at": "2022-09-04T14:43:02.805785Z",
"structure_string": "Be12 Cl24\n1.0\n24.728142 -0.000000 -0.000000\n0.000000 24.728142 -0.000000\n0.000000 0.000000 24.728142\nBe Cl\n12 24\ndirect\n-0.000000 0.750000 0.500000 Be\n-0.000000 0.500000 0.250000 Be\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.500000 0.250000 0.000000 Be\n-0.000000 0.250000 0.500000 Be\n0.500000 0.750000 0.000000 Be\n0.000000 0.500000 0.750000 Be\n0.750000 0.000000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.138475 0.064440 0.138475 Cl\n0.361525 0.638475 0.435560 Cl\n0.435560 0.361525 0.638475 Cl\n0.861525 0.064440 0.861525 Cl\n0.564440 0.638475 0.638475 Cl\n0.935560 0.861525 0.138475 Cl\n0.138475 0.138475 0.064440 Cl\n0.435560 0.638475 0.361525 Cl\n0.935560 0.138475 0.861525 Cl\n0.638475 0.361525 0.435560 Cl\n0.361525 0.564440 0.361525 Cl\n0.638475 0.435560 0.361525 Cl\n0.138475 0.935560 0.861525 Cl\n0.861525 0.861525 0.064440 Cl\n0.861525 0.935560 0.138475 Cl\n0.861525 0.138475 0.935560 Cl\n0.064440 0.138475 0.138475 Cl\n0.361525 0.361525 0.564440 Cl\n0.361525 0.435560 0.638475 Cl\n0.638475 0.638475 0.564440 Cl\n0.138475 0.861525 0.935560 Cl\n0.638475 0.564440 0.638475 Cl\n0.564440 0.361525 0.361525 Cl\n0.064440 0.861525 0.861525 Cl\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Be",
"Cl"
],
"chemical_system": "Be-Cl",
"density": 0.10531772797396952,
"density_atomic": 0.0023808281171929556,
"volume": 15120.78916576503,
"volume_molar": 252.94311321811108,
"formula_full": "Be12 Cl24",
"formula_reduced": "BeCl2",
"formula_anonymous": "AB2",
"energy": -41.62336969,
"energy_per_atom": -1.156204713611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.88736969,
"band_gap": 0.0980000000000007,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 22.967908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.408000Z",
"spacegroup": 217
},
{
"id": "mp-1207313",
"created_at": "2022-09-04T14:47:55.208033Z",
"structure_string": "Mg1 Cl6\n1.0\n5.095411 -7.892621 0.000000\n5.095411 7.892621 0.000000\n0.000000 0.000000 47.406835\nMg Cl\n1 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.249982 Cl\n0.000000 0.000000 0.750018 Cl\n0.252564 0.008747 0.000000 Cl\n0.747436 0.991253 0.000000 Cl\n0.008747 0.252564 0.000000 Cl\n0.991253 0.747436 0.000000 Cl\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 0.10322102367978526,
"density_atomic": 0.0018358052760451221,
"volume": 3813.040572080776,
"volume_molar": 328.0381006951623,
"formula_full": "Mg1 Cl6",
"formula_reduced": "MgCl6",
"formula_anonymous": "AB6",
"energy": -15.824322319999998,
"energy_per_atom": -2.260617474285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.14032232,
"band_gap": 0.0670999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.918164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.247000Z",
"spacegroup": 65
},
{
"id": "mp-731827",
"created_at": "2022-09-04T14:41:54.087290Z",
"structure_string": "H16\n1.0\n4.372639 0.000000 0.000000\n0.000000 6.039404 0.000000\n0.000000 0.000000 9.854266\nH\n16\ndirect\n0.256709 0.535311 0.750000 H\n0.243291 0.035311 0.750000 H\n0.743291 0.464689 0.250000 H\n0.756709 0.964689 0.250000 H\n0.400902 0.602675 0.750000 H\n0.099098 0.102675 0.750000 H\n0.599098 0.397325 0.250000 H\n0.900902 0.897325 0.250000 H\n0.038430 0.444921 0.995282 H\n0.461570 0.944921 0.504718 H\n0.961570 0.555079 0.495282 H\n0.538430 0.055079 0.004718 H\n0.961570 0.555079 0.004718 H\n0.538430 0.055079 0.495282 H\n0.038430 0.444921 0.504718 H\n0.461570 0.944921 0.995282 H\n",
"nsites": 16,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.1029062549219012,
"density_atomic": 0.06148341691353577,
"volume": 260.23277174885754,
"volume_molar": 9.794739886478572,
"formula_full": "H16",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -54.2248553,
"energy_per_atom": -3.38905345625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.2248553,
"band_gap": 8.1932,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.043000Z",
"spacegroup": 62
},
{
"id": "mp-1180797",
"created_at": "2022-09-04T14:46:24.262692Z",
"structure_string": "Mg8 Si4\n1.0\n10.735539 0.000000 0.000000\n0.000000 19.942582 0.000000\n0.000000 0.000000 23.156593\nMg Si\n8 4\ndirect\n0.250000 0.525458 0.340049 Mg\n0.250000 0.025458 0.159951 Mg\n0.750000 0.474542 0.659951 Mg\n0.750000 0.974542 0.840049 Mg\n0.250000 0.646503 0.234492 Mg\n0.250000 0.146503 0.265508 Mg\n0.750000 0.353497 0.765508 Mg\n0.750000 0.853497 0.734492 Mg\n0.250000 0.752820 0.624833 Si\n0.250000 0.252820 0.875167 Si\n0.750000 0.247180 0.375167 Si\n0.750000 0.747180 0.124833 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 0.10275407850777936,
"density_atomic": 0.0024204791336588792,
"volume": 4957.696116082764,
"volume_molar": 248.79953213629756,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy": -3.5020612900000003,
"energy_per_atom": -0.2918384408333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.78606129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1378551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.005000Z",
"spacegroup": 62
},
{
"id": "mp-1097400",
"created_at": "2022-09-04T14:43:08.300824Z",
"structure_string": "K1 Na2 P1\n1.0\n-6.601731 7.042113 10.182461\n6.601731 -7.042113 10.182461\n6.601731 7.042113 -10.182461\nK Na P\n1 2 1\ndirect\n0.000000 0.500000 0.500000 K\n0.000000 0.202105 0.202105 Na\n0.000000 0.797895 0.797895 Na\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"P"
],
"chemical_system": "K-Na-P",
"density": 0.10177161620708061,
"density_atomic": 0.002112449963382172,
"volume": 1893.5359745022013,
"volume_molar": 285.0785043144007,
"formula_full": "K1 Na2 P1",
"formula_reduced": "KNa2P",
"formula_anonymous": "ABC2",
"energy": -5.52885251,
"energy_per_atom": -1.3822131275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.52885251,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0490295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.384000Z",
"spacegroup": 71
},
{
"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-1096543",
"created_at": "2022-09-04T14:44:23.752582Z",
"structure_string": "K2 Rb1 Na1\n1.0\n-8.028958 8.471415 11.361430\n8.028958 -8.471415 11.361430\n8.028958 8.471415 -11.361430\nK Rb Na\n2 1 1\ndirect\n0.222398 0.000000 0.222398 K\n0.777602 0.000000 0.777602 K\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Rb",
"Na"
],
"chemical_system": "K-Na-Rb",
"density": 0.10027176523891451,
"density_atomic": 0.0012940523901724572,
"volume": 3091.0649602578483,
"volume_molar": 465.3707072244143,
"formula_full": "K2 Rb1 Na1",
"formula_reduced": "K2RbNa",
"formula_anonymous": "ABC2",
"energy": -2.43078555,
"energy_per_atom": -0.6076963875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.43078555,
"band_gap": 0.0431000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.812000Z",
"spacegroup": 71
},
{
"id": "mp-1096622",
"created_at": "2022-09-04T14:44:12.393091Z",
"structure_string": "Li2 Ca1 Al1\n1.0\n-6.164625 6.212389 8.760967\n6.164625 -6.212389 8.760967\n6.164625 6.212389 -8.760967\nLi Ca Al\n2 1 1\ndirect\n0.223687 0.000000 0.223687 Li\n0.776313 0.000000 0.776313 Li\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Al"
],
"chemical_system": "Al-Ca-Li",
"density": 0.10014821475888698,
"density_atomic": 0.0029804555573355387,
"volume": 1342.0767137946896,
"volume_molar": 202.05437202974636,
"formula_full": "Li2 Ca1 Al1",
"formula_reduced": "Li2CaAl",
"formula_anonymous": "ABC2",
"energy": -3.92750143,
"energy_per_atom": -0.9818753575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.92750143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9997881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.381000Z",
"spacegroup": 71
},
{
"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
}
]
}