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=11541",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=11539",
"results": [
{
"id": "mp-1187144",
"created_at": "2022-09-04T14:46:22.868750Z",
"structure_string": "Sr3 W1\n1.0\n0.000000 4.128454 4.128454\n4.128454 0.000000 4.128454\n4.128454 4.128454 0.000000\nSr W\n3 1\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"W"
],
"chemical_system": "Sr-W",
"density": 5.2707534823436815,
"density_atomic": 0.02842285148233974,
"volume": 140.7318334152842,
"volume_molar": 21.187672755992825,
"formula_full": "Sr3 W1",
"formula_reduced": "Sr3W",
"formula_anonymous": "AB3",
"energy": -13.71344558,
"energy_per_atom": -3.428361395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.71344558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7160931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.165000Z",
"spacegroup": 225
},
{
"id": "mp-998156",
"created_at": "2022-09-04T14:46:58.116418Z",
"structure_string": "Rb1 Sn1 Cl3\n1.0\n3.960248 3.957567 0.000000\n-3.960248 3.957567 0.000000\n0.000000 0.082460 5.612300\nRb Sn Cl\n1 1 3\ndirect\n0.009667 0.009667 0.018062 Rb\n0.491213 0.491213 0.479390 Sn\n0.495323 0.495323 0.992469 Cl\n0.990958 0.485430 0.475227 Cl\n0.485430 0.990958 0.475227 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Cl"
],
"chemical_system": "Cl-Rb-Sn",
"density": 2.931167509622487,
"density_atomic": 0.028421596635544315,
"volume": 175.92255861329596,
"volume_molar": 21.188608216572376,
"formula_full": "Rb1 Sn1 Cl3",
"formula_reduced": "RbSnCl3",
"formula_anonymous": "ABC3",
"energy": -19.3359703,
"energy_per_atom": -3.86719406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.4939703,
"band_gap": 0.9861,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0020158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.258000Z",
"spacegroup": 8
},
{
"id": "mp-29209",
"created_at": "2022-09-04T14:40:29.966925Z",
"structure_string": "Ba1 Mg2 Bi2\n1.0\n2.466301 -4.271759 0.000000\n2.466301 4.271759 0.000000\n0.000000 0.000000 8.349353\nBa Mg Bi\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.377161 Mg\n0.333333 0.666667 0.622839 Mg\n0.333333 0.666667 0.264093 Bi\n0.666667 0.333333 0.735907 Bi\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Bi"
],
"chemical_system": "Ba-Bi-Mg",
"density": 5.700026887750654,
"density_atomic": 0.028420673386855867,
"volume": 175.92827347688478,
"volume_molar": 21.189296530831495,
"formula_full": "Ba1 Mg2 Bi2",
"formula_reduced": "Ba(MgBi)2",
"formula_anonymous": "AB2C2",
"energy": -15.92034613,
"energy_per_atom": -3.184069226,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.92034613,
"band_gap": 0.5091000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.967000Z",
"spacegroup": 164
},
{
"id": "mp-29584",
"created_at": "2022-09-04T14:47:40.223391Z",
"structure_string": "K4 Be1 As2\n1.0\n8.849776 -2.859787 0.000000\n8.849776 2.859787 0.000000\n7.925641 0.000000 4.866325\nK Be As\n4 1 2\ndirect\n0.623878 0.623878 0.623878 K\n0.376122 0.376122 0.376122 K\n0.208543 0.208543 0.208543 K\n0.791457 0.791457 0.791457 K\n0.000000 0.000000 0.000000 Be\n0.919867 0.919867 0.919867 As\n0.080133 0.080133 0.080133 As\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Be",
"As"
],
"chemical_system": "As-Be-K",
"density": 2.1252262307183187,
"density_atomic": 0.028418488045275227,
"volume": 246.31852295758569,
"volume_molar": 21.19092595779818,
"formula_full": "K4 Be1 As2",
"formula_reduced": "K4BeAs2",
"formula_anonymous": "AB2C4",
"energy": -20.35998688,
"energy_per_atom": -2.9085695542857146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.35998688,
"band_gap": 0.8851000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015887,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.989000Z",
"spacegroup": 166
},
{
"id": "mp-1222752",
"created_at": "2022-09-04T14:39:24.937134Z",
"structure_string": "La3 Y3\n1.0\n18.080860 -1.837638 0.000000\n18.080860 1.837638 0.000000\n17.894093 0.000000 3.177399\nLa Y\n3 3\ndirect\n0.387868 0.387868 0.387868 La\n0.888883 0.888883 0.888883 La\n0.112124 0.112124 0.112124 La\n0.612291 0.612291 0.612291 Y\n0.998482 0.998482 0.998482 Y\n0.500352 0.500352 0.500352 Y\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Y"
],
"chemical_system": "La-Y",
"density": 5.374831528868726,
"density_atomic": 0.02841649136602971,
"volume": 211.14499755492886,
"volume_molar": 21.192414934093957,
"formula_full": "La3 Y3",
"formula_reduced": "LaY",
"formula_anonymous": "AB",
"energy": -33.84905747,
"energy_per_atom": -5.641509578333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.84905747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.27348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.307000Z",
"spacegroup": 160
},
{
"id": "mp-707190",
"created_at": "2022-09-04T14:40:58.595840Z",
"structure_string": "K4 Sn2 Br12\n1.0\n7.479876 0.000000 0.000000\n0.000000 7.479876 0.000000\n0.000000 0.000000 11.321891\nK Sn Br\n4 2 12\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.237327 Br\n0.500000 0.500000 0.262673 Br\n0.000000 0.000000 0.762673 Br\n0.500000 0.500000 0.737327 Br\n0.189367 0.700347 0.000000 Br\n0.799653 0.310633 0.500000 Br\n0.810633 0.299653 0.000000 Br\n0.200347 0.689367 0.500000 Br\n0.310633 0.200347 0.500000 Br\n0.689367 0.799653 0.500000 Br\n0.299653 0.189367 0.000000 Br\n0.700347 0.810633 0.000000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Sn",
"Br"
],
"chemical_system": "Br-K-Sn",
"density": 3.5459316845357876,
"density_atomic": 0.0284161174480323,
"volume": 633.4433278198048,
"volume_molar": 21.192693797853828,
"formula_full": "K4 Sn2 Br12",
"formula_reduced": "K2SnBr6",
"formula_anonymous": "AB2C6",
"energy": -59.89234137,
"energy_per_atom": -3.327352298333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.48434137,
"band_gap": 1.8996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.467000Z",
"spacegroup": 128
},
{
"id": "mp-571275",
"created_at": "2022-09-04T14:45:25.913400Z",
"structure_string": "Cs4 U2 Hg4 Se10\n1.0\n4.376814 0.000000 0.000000\n0.000000 10.450647 0.000000\n0.000000 7.034619 15.388873\nCs U Hg Se\n4 2 4 10\ndirect\n0.686473 0.769378 0.945826 Cs\n0.686473 0.230622 0.554174 Cs\n0.313527 0.769378 0.445826 Cs\n0.313527 0.230622 0.054174 Cs\n0.794556 0.500000 0.750000 U\n0.205444 0.500000 0.250000 U\n0.372601 0.829858 0.702793 Hg\n0.372601 0.170142 0.797207 Hg\n0.627399 0.829858 0.202793 Hg\n0.627399 0.170142 0.297207 Hg\n0.819197 0.217856 0.882303 Se\n0.704383 0.553769 0.343420 Se\n0.295617 0.446231 0.656580 Se\n0.180803 0.782144 0.117697 Se\n0.180803 0.217856 0.382303 Se\n0.704383 0.446231 0.156580 Se\n0.080032 0.000000 0.750000 Se\n0.295617 0.553769 0.843420 Se\n0.819197 0.782144 0.617697 Se\n0.919968 0.000000 0.250000 Se\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cs",
"U",
"Hg",
"Se"
],
"chemical_system": "Cs-Hg-Se-U",
"density": 6.132734464891647,
"density_atomic": 0.028413315301044035,
"volume": 703.8953317519096,
"volume_molar": 21.19478384058449,
"formula_full": "Cs4 U2 Hg4 Se10",
"formula_reduced": "Cs2UHg2Se5",
"formula_anonymous": "AB2C2D5",
"energy": -84.30064072,
"energy_per_atom": -4.215032036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.58064072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:03.481000Z",
"spacegroup": 13
},
{
"id": "mp-29666",
"created_at": "2022-09-04T14:41:07.264556Z",
"structure_string": "Bi2 Te2 Se1\n1.0\n10.829241 -2.173228 0.000000\n10.829241 2.173228 0.000000\n10.393114 0.000000 3.738790\nBi Te Se\n2 2 1\ndirect\n0.609047 0.609047 0.609047 Bi\n0.390953 0.390953 0.390952 Bi\n0.220850 0.220850 0.220850 Te\n0.779150 0.779150 0.779150 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.096959354542384,
"density_atomic": 0.028412249877827225,
"volume": 175.98043173279194,
"volume_molar": 21.195578618008877,
"formula_full": "Bi2 Te2 Se1",
"formula_reduced": "Bi2Te2Se",
"formula_anonymous": "AB2C2",
"energy": -20.38918525,
"energy_per_atom": -4.07783705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.07318525,
"band_gap": 0.5441999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007932,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.082000Z",
"spacegroup": 166
},
{
"id": "mp-1186782",
"created_at": "2022-09-04T14:46:59.260927Z",
"structure_string": "Sr2 Th6\n1.0\n3.688480 -6.388634 0.000000\n3.688480 6.388634 0.000000\n0.000000 0.000000 5.974948\nSr Th\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.160817 0.321635 0.250000 Th\n0.678365 0.839183 0.250000 Th\n0.160817 0.839183 0.250000 Th\n0.839183 0.678365 0.750000 Th\n0.321635 0.160817 0.750000 Th\n0.839183 0.160817 0.750000 Th\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Th"
],
"chemical_system": "Sr-Th",
"density": 9.243326922202659,
"density_atomic": 0.02840994676814452,
"volume": 281.59151670675544,
"volume_molar": 21.19729688037466,
"formula_full": "Sr2 Th6",
"formula_reduced": "SrTh3",
"formula_anonymous": "AB3",
"energy": -45.25072417,
"energy_per_atom": -5.65634052125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.25072417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0171989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.173000Z",
"spacegroup": 194
},
{
"id": "mp-1112321",
"created_at": "2022-09-04T14:43:59.891994Z",
"structure_string": "Cs1 K2 Ga1 Cl6\n1.0\n0.000000 5.604095 5.604095\n5.604095 0.000000 5.604095\n5.604095 5.604095 0.000000\nCs K Ga Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.786567 0.213433 0.213433 Cl\n0.213433 0.213433 0.786567 Cl\n0.213433 0.786567 0.786567 Cl\n0.213433 0.786567 0.213433 Cl\n0.786567 0.213433 0.786567 Cl\n0.786567 0.786567 0.213433 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Ga",
"Cl"
],
"chemical_system": "Cl-Cs-Ga-K",
"density": 2.3282396323843533,
"density_atomic": 0.02840884243045826,
"volume": 352.0030787765783,
"volume_molar": 21.198120883459232,
"formula_full": "Cs1 K2 Ga1 Cl6",
"formula_reduced": "CsK2GaCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.15599111,
"energy_per_atom": -3.6155991110000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.47199111,
"band_gap": 3.6673,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.463000Z",
"spacegroup": 225
},
{
"id": "mp-1211525",
"created_at": "2022-09-04T14:46:52.926703Z",
"structure_string": "K2 Zr12 B2 I28\n1.0\n7.313171 -8.061864 0.000000\n7.313171 8.061864 0.000000\n0.000000 0.000000 13.134978\nK Zr B I\n2 12 2 28\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.366131 0.366131 0.401901 Zr\n0.633869 0.633869 0.598099 Zr\n0.133869 0.133869 0.901901 Zr\n0.866131 0.866131 0.098099 Zr\n0.957879 0.170658 0.108410 Zr\n0.042121 0.829342 0.891590 Zr\n0.542121 0.329342 0.608410 Zr\n0.670658 0.457879 0.391590 Zr\n0.457879 0.670658 0.391590 Zr\n0.329342 0.542121 0.608410 Zr\n0.829342 0.042121 0.891590 Zr\n0.170658 0.957879 0.108410 Zr\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.115939 0.365803 0.006327 I\n0.884061 0.634197 0.993673 I\n0.384061 0.134197 0.506327 I\n0.865803 0.615939 0.493673 I\n0.615939 0.865803 0.493673 I\n0.134197 0.384061 0.506327 I\n0.634197 0.884061 0.993673 I\n0.365803 0.115939 0.006327 I\n0.749256 0.250744 0.000000 I\n0.250744 0.749256 0.000000 I\n0.750744 0.249256 0.500000 I\n0.249256 0.750744 0.500000 I\n0.900413 0.400413 0.250000 I\n0.099587 0.599587 0.750000 I\n0.599587 0.099587 0.750000 I\n0.400413 0.900413 0.250000 I\n0.156351 0.156351 0.260558 I\n0.843649 0.843649 0.739442 I\n0.343649 0.343649 0.760558 I\n0.656351 0.656351 0.239442 I\n0.287046 0.535477 0.251007 I\n0.712954 0.464523 0.748993 I\n0.212954 0.964523 0.751007 I\n0.035477 0.787046 0.248993 I\n0.787046 0.035477 0.248993 I\n0.964523 0.212954 0.751007 I\n0.464523 0.712954 0.748993 I\n0.535477 0.287046 0.251007 I\n",
"nsites": 44,
"nelements": 4,
"elements": [
"K",
"Zr",
"B",
"I"
],
"chemical_system": "B-I-K-Zr",
"density": 5.090305847626523,
"density_atomic": 0.02840875066735451,
"volume": 1548.8185494394845,
"volume_molar": 21.19818935550817,
"formula_full": "K2 Zr12 B2 I28",
"formula_reduced": "KZr6BI14",
"formula_anonymous": "ABC6D14",
"energy": -216.91720814,
"energy_per_atom": -4.9299365486363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.30520814,
"band_gap": 0.7154000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.951000Z",
"spacegroup": 64
},
{
"id": "mp-1023929",
"created_at": "2022-09-04T14:43:08.923500Z",
"structure_string": "W2 Se2 S2\n1.0\n1.627359 -2.818669 0.000000\n1.627359 2.818669 0.000000\n0.000000 0.000000 23.022902\nW Se S\n2 2 2\ndirect\n0.000000 0.000000 0.150434 W\n0.333333 0.666667 0.451445 W\n0.000000 0.000000 0.525583 Se\n0.000000 0.000000 0.377289 Se\n0.333333 0.666667 0.083135 S\n0.333333 0.666667 0.217718 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 4.636441761431047,
"density_atomic": 0.02840754744292721,
"volume": 211.21147512133626,
"volume_molar": 21.199087221798752,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -47.171382730000005,
"energy_per_atom": -7.861897121666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22138273,
"band_gap": 0.8086000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.221000Z",
"spacegroup": 156
}
]
}