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&page=10172",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10170",
"results": [
{
"id": "mp-1021701",
"created_at": "2022-09-04T14:40:52.528449Z",
"structure_string": "K2 Mg12 V2\n1.0\n5.289102 0.000000 0.000000\n0.000000 6.570714 0.000000\n0.000000 0.000000 11.454916\nK Mg V\n2 12 2\ndirect\n0.500000 0.500000 0.163494 K\n0.500000 0.000000 0.663494 K\n0.000000 0.765413 0.078140 Mg\n0.000000 0.234587 0.078140 Mg\n0.000000 0.000000 0.334191 Mg\n0.500000 0.263166 0.411854 Mg\n0.500000 0.736834 0.411854 Mg\n0.500000 0.000000 0.169130 Mg\n0.000000 0.265413 0.578140 Mg\n0.000000 0.734587 0.578140 Mg\n0.000000 0.500000 0.834191 Mg\n0.500000 0.763166 0.911854 Mg\n0.500000 0.236834 0.911854 Mg\n0.500000 0.500000 0.669130 Mg\n0.000000 0.500000 0.353198 V\n0.000000 0.000000 0.853198 V\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Mg",
"V"
],
"chemical_system": "K-Mg-V",
"density": 1.9677277773881274,
"density_atomic": 0.04019144004663025,
"volume": 398.0947182145438,
"volume_molar": 14.98364018062824,
"formula_full": "K2 Mg12 V2",
"formula_reduced": "KMg6V",
"formula_anonymous": "ABC6",
"energy": -33.45688742,
"energy_per_atom": -2.09105546375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.45688742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.8160544,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.278000Z",
"spacegroup": 38
},
{
"id": "mp-1224147",
"created_at": "2022-09-04T14:39:41.886935Z",
"structure_string": "In1 Ga1 Cu2 Se4\n1.0\n-2.882828 2.882828 5.729353\n2.882828 -2.882828 5.729353\n2.882828 2.882828 -5.729353\nIn Ga Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.103875 0.100870 0.467500 Se\n0.633370 0.636375 0.532500 Se\n0.363625 0.896125 0.996995 Se\n0.899130 0.366630 0.003005 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-In-Se",
"density": 5.4706773906132415,
"density_atomic": 0.042003642305192546,
"volume": 190.45967351767086,
"volume_molar": 14.337187037838229,
"formula_full": "In1 Ga1 Cu2 Se4",
"formula_reduced": "InGa(CuSe2)2",
"formula_anonymous": "ABC2D4",
"energy": -33.45683136,
"energy_per_atom": -4.18210392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.56883136,
"band_gap": 0.0011999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.409000Z",
"spacegroup": 82
},
{
"id": "mp-1026665",
"created_at": "2022-09-04T14:42:53.112283Z",
"structure_string": "Na1 Mg14 W1\n1.0\n6.310337 -0.102275 0.000000\n-3.243742 5.618325 0.000000\n0.000000 0.000000 10.058449\nNa Mg W\n1 14 1\ndirect\n0.167821 0.333910 0.125000 Na\n0.170484 0.335242 0.625000 Mg\n0.168034 0.834017 0.625000 Mg\n0.667100 0.334114 0.125000 Mg\n0.666659 0.335728 0.625000 Mg\n0.667100 0.832985 0.125000 Mg\n0.666659 0.830930 0.625000 Mg\n0.325033 0.149712 0.366760 Mg\n0.325033 0.149712 0.883240 Mg\n0.325033 0.675322 0.366760 Mg\n0.325033 0.675322 0.883240 Mg\n0.827825 0.163913 0.378655 Mg\n0.827825 0.163913 0.871345 Mg\n0.845286 0.672643 0.364269 Mg\n0.845286 0.672643 0.885731 Mg\n0.179787 0.839893 0.125000 W\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"Mg",
"W"
],
"chemical_system": "Mg-Na-W",
"density": 2.5716283878644104,
"density_atomic": 0.045291068310598516,
"volume": 353.27053648358867,
"volume_molar": 13.29653060665554,
"formula_full": "Na1 Mg14 W1",
"formula_reduced": "NaMg14W",
"formula_anonymous": "ABC14",
"energy": -33.45335404,
"energy_per_atom": -2.0908346275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.45335404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001404,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.005000Z",
"spacegroup": 38
},
{
"id": "mp-980945",
"created_at": "2022-09-04T14:42:45.530163Z",
"structure_string": "Ti3 Nb1\n1.0\n4.133433 0.000000 0.000000\n0.000000 4.133433 0.000000\n0.000000 0.000000 4.133433\nTi Nb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Nb"
],
"chemical_system": "Nb-Ti",
"density": 5.561104899329903,
"density_atomic": 0.05664052681394323,
"volume": 70.6208120757683,
"volume_molar": 10.632211772644613,
"formula_full": "Ti3 Nb1",
"formula_reduced": "Ti3Nb",
"formula_anonymous": "AB3",
"energy": -33.44997955,
"energy_per_atom": -8.3624948875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44997955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0296697,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.733000Z",
"spacegroup": 221
},
{
"id": "mp-1183048",
"created_at": "2022-09-04T14:47:46.091566Z",
"structure_string": "Zr1 Sn1 Ru2\n1.0\n0.000000 3.244505 3.244505\n3.244505 0.000000 3.244505\n3.244505 3.244505 0.000000\nZr Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Ru"
],
"chemical_system": "Ru-Sn-Zr",
"density": 10.01726059371977,
"density_atomic": 0.05855778655855869,
"volume": 68.30859284614418,
"volume_molar": 10.284099030925233,
"formula_full": "Zr1 Sn1 Ru2",
"formula_reduced": "ZrSnRu2",
"formula_anonymous": "ABC2",
"energy": -33.44789763,
"energy_per_atom": -8.3619744075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44789763,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031879,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.620000Z",
"spacegroup": 225
},
{
"id": "mp-1215630",
"created_at": "2022-09-04T14:44:31.067742Z",
"structure_string": "Zn4 Cd1 Se4 S1\n1.0\n-2.892680 -2.892680 0.000000\n0.000000 0.000000 -5.791475\n5.761179 -8.653859 -2.895738\nZn Cd Se S\n4 1 4 1\ndirect\n0.401293 0.407573 0.197414 Zn\n0.798586 0.798307 0.402828 Zn\n0.201414 0.201135 0.597172 Zn\n0.598707 0.604986 0.802586 Zn\n0.000000 0.988108 0.000000 Cd\n0.895437 0.157050 0.209127 Se\n0.301032 0.554546 0.397935 Se\n0.698967 0.952481 0.602065 Se\n0.104563 0.366176 0.790873 Se\n0.500000 0.719638 0.000000 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"Cd",
"Se",
"S"
],
"chemical_system": "Cd-S-Se-Zn",
"density": 4.964231784100288,
"density_atomic": 0.04140898921181607,
"volume": 241.49345807133335,
"volume_molar": 14.543075971247276,
"formula_full": "Zn4 Cd1 Se4 S1",
"formula_reduced": "Zn4CdSe4S",
"formula_anonymous": "ABC4D4",
"energy": -33.44750303,
"energy_per_atom": -3.344750303,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.05650303,
"band_gap": 1.1071,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0024048,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.238000Z",
"spacegroup": 44
},
{
"id": "mp-15639",
"created_at": "2022-09-04T14:41:50.277219Z",
"structure_string": "Hg1 Rh1 F6\n1.0\n5.183281 -2.644907 0.000000\n5.183281 2.644907 0.000000\n3.833648 0.000000 4.377794\nHg Rh F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n0.059193 0.384676 0.785325 F\n0.785325 0.059193 0.384676 F\n0.615324 0.214675 0.940807 F\n0.214675 0.940807 0.615324 F\n0.940807 0.615324 0.214675 F\n0.384676 0.785325 0.059193 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hg",
"Rh",
"F"
],
"chemical_system": "F-Hg-Rh",
"density": 5.77551149624303,
"density_atomic": 0.0666483665270276,
"volume": 120.03294929600109,
"volume_molar": 9.035691456230769,
"formula_full": "Hg1 Rh1 F6",
"formula_reduced": "HgRhF6",
"formula_anonymous": "ABC6",
"energy": -33.44724382,
"energy_per_atom": -4.1809054775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.67524382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.218000Z",
"spacegroup": 148
},
{
"id": "mp-20751",
"created_at": "2022-09-04T14:48:17.323328Z",
"structure_string": "Pu1 Cu2 Si2\n1.0\n-1.991704 1.991704 5.001169\n1.991704 -1.991704 5.001169\n1.991704 1.991704 -5.001169\nPu Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.617671 0.617671 0.000000 Si\n0.382329 0.382329 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pu",
"Cu",
"Si"
],
"chemical_system": "Cu-Pu-Si",
"density": 8.940530107216292,
"density_atomic": 0.0630070130028586,
"volume": 79.35624562575522,
"volume_molar": 9.557889626868644,
"formula_full": "Pu1 Cu2 Si2",
"formula_reduced": "Pu(CuSi)2",
"formula_anonymous": "AB2C2",
"energy": -33.446641549999995,
"energy_per_atom": -6.689328309999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.58864155,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2478891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:40.214000Z",
"spacegroup": 139
},
{
"id": "mp-1094329",
"created_at": "2022-09-04T14:40:27.854749Z",
"structure_string": "Mg2 Ti4\n1.0\n5.112552 -2.564726 0.000000\n5.112552 2.564726 0.000000\n3.825950 0.000000 4.251837\nMg Ti\n2 4\ndirect\n0.166471 0.166471 0.166471 Mg\n0.833529 0.833529 0.833529 Mg\n0.334729 0.000000 0.665271 Ti\n0.665271 0.334729 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.665271 0.334729 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.575330112107776,
"density_atomic": 0.053810364646540654,
"volume": 111.50268241837172,
"volume_molar": 11.191414144016862,
"formula_full": "Mg2 Ti4",
"formula_reduced": "MgTi2",
"formula_anonymous": "AB2",
"energy": -33.44588316,
"energy_per_atom": -5.57431386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44588316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.488000Z",
"spacegroup": 155
},
{
"id": "mp-1094371",
"created_at": "2022-09-04T14:39:22.355223Z",
"structure_string": "Mg2 Ti4\n1.0\n2.571943 -4.454737 0.000000\n2.571943 4.454737 0.000000\n0.000000 0.000000 4.891787\nMg Ti\n2 4\ndirect\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.000000 0.316127 0.500000 Ti\n0.683873 0.683873 0.500000 Ti\n0.316127 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.556481215252812,
"density_atomic": 0.05352668006885205,
"volume": 112.09363241437958,
"volume_molar": 11.25072721165154,
"formula_full": "Mg2 Ti4",
"formula_reduced": "MgTi2",
"formula_anonymous": "AB2",
"energy": -33.44542386,
"energy_per_atom": -5.57423731,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44542386,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2606702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.581000Z",
"spacegroup": 189
},
{
"id": "mp-1078552",
"created_at": "2022-09-04T14:44:31.251266Z",
"structure_string": "Li2 H6 Pt1\n1.0\n0.000000 3.375820 3.375820\n3.375820 0.000000 3.375820\n3.375820 3.375820 0.000000\nLi H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.756016 0.756016 0.243984 H\n0.243984 0.756016 0.243984 H\n0.756016 0.243984 0.243984 H\n0.243984 0.243984 0.756016 H\n0.756016 0.243984 0.756016 H\n0.243984 0.756016 0.756016 H\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"H",
"Pt"
],
"chemical_system": "H-Li-Pt",
"density": 4.64031291551786,
"density_atomic": 0.11697004804726086,
"volume": 76.94277424220274,
"volume_molar": 5.148446855016082,
"formula_full": "Li2 H6 Pt1",
"formula_reduced": "Li2H6Pt",
"formula_anonymous": "AB2C6",
"energy": -33.44517926,
"energy_per_atom": -3.7161310288888894,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44517926,
"band_gap": 3.0722,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001051,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.647000Z",
"spacegroup": 225
},
{
"id": "mp-21413",
"created_at": "2022-09-04T14:45:20.835102Z",
"structure_string": "Rb2 Mn2 P2\n1.0\n3.838382 0.000000 0.000000\n0.000000 3.838382 0.000000\n0.000000 0.000000 11.460974\nRb Mn P\n2 2 2\ndirect\n0.000000 0.500000 0.284128 Rb\n0.500000 0.000000 0.715872 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.894677 P\n0.500000 0.000000 0.105323 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"P"
],
"chemical_system": "Mn-P-Rb",
"density": 3.3707017024151202,
"density_atomic": 0.03553311938496335,
"volume": 168.85655140480117,
"volume_molar": 16.947965346798142,
"formula_full": "Rb2 Mn2 P2",
"formula_reduced": "RbMnP",
"formula_anonymous": "ABC",
"energy": -33.44462934,
"energy_per_atom": -5.57410489,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44462934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3643745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.516000Z",
"spacegroup": 129
}
]
}