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=10218",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10216",
"results": [
{
"id": "mp-1247897",
"created_at": "2022-09-04T14:47:46.615668Z",
"structure_string": "B3 N3 Cl12\n1.0\n11.403241 -0.237522 10.838075\n6.281428 8.470702 4.184006\n0.583122 -1.237637 10.134462\nB N Cl\n3 3 12\ndirect\n0.312284 0.129433 0.232611 B\n0.521304 0.007025 0.843658 B\n0.940510 0.064978 0.126497 B\n0.996157 0.065829 0.191054 N\n0.405104 0.083974 0.047303 N\n0.687575 0.929364 0.718218 N\n0.183250 0.631610 0.949742 Cl\n0.188667 0.188401 0.477924 Cl\n0.173935 0.911125 0.100430 Cl\n0.466939 0.016413 0.735669 Cl\n0.658995 0.548188 0.020482 Cl\n0.070113 0.978573 0.873585 Cl\n0.733825 0.173414 0.304269 Cl\n0.255530 0.424168 0.018873 Cl\n0.686119 0.949213 0.054982 Cl\n0.855890 0.947583 0.945673 Cl\n0.833551 0.751221 0.551612 Cl\n0.834152 0.454189 0.989017 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"B",
"N",
"Cl"
],
"chemical_system": "B-Cl-N",
"density": 0.9074728076966364,
"density_atomic": 0.019678108953122227,
"volume": 914.7220417815621,
"volume_molar": 30.603249399350933,
"formula_full": "B3 N3 Cl12",
"formula_reduced": "BNCl4",
"formula_anonymous": "ABC4",
"energy": -76.74971633000001,
"energy_per_atom": -4.263873129444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.38171633,
"band_gap": 0.5600999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0017447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.526000Z",
"spacegroup": 1
},
{
"id": "mp-1353484",
"created_at": "2022-09-04T14:40:26.515215Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.778587 0.000000 0.000000\n-1.919355 9.081692 0.000000\n-1.947782 -4.627617 7.814343\nLi V P H O\n2 4 8 4 32\ndirect\n0.643850 0.630275 0.459246 Li\n0.856067 0.128078 0.658321 Li\n0.495774 0.010884 0.240263 V\n0.012515 0.506696 0.499985 V\n0.998065 0.497374 0.997653 V\n0.495516 0.996284 0.753516 V\n0.732004 0.353299 0.253098 P\n0.735039 0.350124 0.752017 P\n0.767444 0.848696 0.644261 P\n0.765407 0.853074 0.146409 P\n0.231934 0.149340 0.354490 P\n0.233942 0.153247 0.850775 P\n0.268412 0.648726 0.750080 P\n0.264104 0.655596 0.238336 P\n0.487205 0.508342 0.759397 H\n0.507731 0.494461 0.242309 H\n0.012637 0.007210 0.484248 H\n0.984010 0.992389 0.017274 H\n0.947943 0.948510 0.123932 O\n0.655440 0.952233 0.176603 O\n0.366757 0.166520 0.014039 O\n0.323405 0.834909 0.219680 O\n0.848120 0.445326 0.625944 O\n0.839820 0.441815 0.126006 O\n0.670036 0.173493 0.271828 O\n0.635288 0.829241 0.485986 O\n0.565842 0.458611 0.677047 O\n0.553153 0.452612 0.179597 O\n0.340852 0.059651 0.314907 O\n0.171672 0.328096 0.194294 O\n0.189992 0.332649 0.697299 O\n0.936271 0.958248 0.613491 O\n0.869692 0.337013 0.928007 O\n0.862279 0.329154 0.430574 O\n0.136923 0.668078 0.575170 O\n0.127679 0.666053 0.067904 O\n0.053523 0.047690 0.378547 O\n0.826862 0.668171 0.803147 O\n0.812181 0.679596 0.310769 O\n0.656769 0.939000 0.680923 O\n0.447202 0.546760 0.825419 O\n0.440992 0.555953 0.314385 O\n0.365027 0.165679 0.509764 O\n0.318787 0.825481 0.728257 O\n0.157981 0.554145 0.877826 O\n0.151160 0.568336 0.363754 O\n0.691364 0.173062 0.770852 O\n0.635857 0.833797 0.991547 O\n0.352024 0.061112 0.823129 O\n0.057452 0.056943 0.876676 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.9522804767818607,
"density_atomic": 0.09057535644626609,
"volume": 552.026533063246,
"volume_molar": 6.648762970723324,
"formula_full": "Li2 V4 P8 H4 O32",
"formula_reduced": "LiV2P4(HO8)2",
"formula_anonymous": "AB2C2D4E16",
"energy": -213.19145835,
"energy_per_atom": -4.263829167,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.69145835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5473848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.170000Z",
"spacegroup": 1
},
{
"id": "mp-1210268",
"created_at": "2022-09-04T14:42:09.961484Z",
"structure_string": "Na2 Ge2 Sb10 O2\n1.0\n-3.399560 -7.211979 1.819913\n-3.399560 7.211979 1.819913\n0.358479 0.000000 -8.895053\nNa Ge Sb O\n2 2 10 2\ndirect\n0.595409 0.404591 0.750000 Na\n0.404591 0.595409 0.250000 Na\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.858352 0.141648 0.750000 Sb\n0.141648 0.858352 0.250000 Sb\n0.257941 0.837276 0.593572 Sb\n0.742059 0.162724 0.406428 Sb\n0.162724 0.742059 0.906428 Sb\n0.837276 0.257941 0.093572 Sb\n0.574135 0.781200 0.001406 Sb\n0.425865 0.218800 0.998594 Sb\n0.218800 0.425865 0.498594 Sb\n0.781200 0.574135 0.501406 Sb\n0.438496 0.561504 0.750000 O\n0.561504 0.438496 0.250000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-Na-O-Sb",
"density": 5.606437317707752,
"density_atomic": 0.03749182419669459,
"volume": 426.7597094251449,
"volume_molar": 16.06254400534326,
"formula_full": "Na2 Ge2 Sb10 O2",
"formula_reduced": "NaGeSb5O",
"formula_anonymous": "ABCD5",
"energy": -68.22094029,
"energy_per_atom": -4.263808768125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.92694029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.595000Z",
"spacegroup": 15
},
{
"id": "mp-10183",
"created_at": "2022-09-04T14:46:41.243486Z",
"structure_string": "Mg1 Sb1 Pd1\n1.0\n0.000000 3.176646 3.176646\n3.176646 0.000000 3.176646\n3.176646 3.176646 0.000000\nMg Sb Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Pd"
],
"chemical_system": "Mg-Pd-Sb",
"density": 6.5395553862307985,
"density_atomic": 0.046793421063398996,
"volume": 64.11157662388887,
"volume_molar": 12.869631292486144,
"formula_full": "Mg1 Sb1 Pd1",
"formula_reduced": "MgSbPd",
"formula_anonymous": "ABC",
"energy": -12.79118922,
"energy_per_atom": -4.26372974,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.79118922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.500000Z",
"spacegroup": 216
},
{
"id": "mp-1078280",
"created_at": "2022-09-04T14:43:34.508126Z",
"structure_string": "Ca4 Ga2 Pd4\n1.0\n2.874681 4.968602 0.000000\n-2.874681 4.968602 0.000000\n0.000000 1.792768 7.672925\nCa Ga Pd\n4 2 4\ndirect\n0.784005 0.516461 0.350076 Ca\n0.483539 0.215995 0.149924 Ca\n0.215995 0.483539 0.649924 Ca\n0.516461 0.784005 0.850076 Ca\n0.133950 0.866050 0.250000 Ga\n0.866050 0.133950 0.750000 Ga\n0.003704 0.740276 0.002626 Pd\n0.259724 0.996296 0.497374 Pd\n0.996296 0.259724 0.997374 Pd\n0.740276 0.003704 0.502626 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Pd"
],
"chemical_system": "Ca-Ga-Pd",
"density": 5.495846336501075,
"density_atomic": 0.04562314111637015,
"volume": 219.18701245258794,
"volume_molar": 13.199750417533576,
"formula_full": "Ca4 Ga2 Pd4",
"formula_reduced": "Ca2GaPd2",
"formula_anonymous": "AB2C2",
"energy": -42.63725174999999,
"energy_per_atom": -4.263725174999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.63725174999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011518,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.564000Z",
"spacegroup": 15
},
{
"id": "mp-10405",
"created_at": "2022-09-04T14:43:23.226872Z",
"structure_string": "Yb1 Al2 Si2\n1.0\n2.074287 -3.592771 0.000000\n2.074287 3.592771 0.000000\n0.000000 0.000000 7.051708\nYb Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.368350 Al\n0.333333 0.666667 0.631650 Al\n0.666667 0.333333 0.738340 Si\n0.333333 0.666667 0.261660 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Si"
],
"chemical_system": "Al-Si-Yb",
"density": 4.473834281806361,
"density_atomic": 0.04757155043580029,
"volume": 105.10483585662611,
"volume_molar": 12.659122321705953,
"formula_full": "Yb1 Al2 Si2",
"formula_reduced": "Yb(AlSi)2",
"formula_anonymous": "AB2C2",
"energy": -21.31851368,
"energy_per_atom": -4.263702736,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.46051368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:11.101000Z",
"spacegroup": 164
},
{
"id": "mp-1224326",
"created_at": "2022-09-04T14:48:25.414539Z",
"structure_string": "Ge3 Te2 Se1\n1.0\n2.082055 -3.606225 0.000000\n2.082055 3.606225 0.000000\n0.000000 0.000000 10.224148\nGe Te Se\n3 2 1\ndirect\n0.000000 0.000000 0.500000 Ge\n0.333333 0.666667 0.156134 Ge\n0.666667 0.333333 0.843866 Ge\n0.333333 0.666667 0.670141 Te\n0.666667 0.333333 0.329859 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ge",
"Te",
"Se"
],
"chemical_system": "Ge-Se-Te",
"density": 5.971026122523702,
"density_atomic": 0.03907951000279073,
"volume": 153.53314306068654,
"volume_molar": 15.409969980611194,
"formula_full": "Ge3 Te2 Se1",
"formula_reduced": "Ge3Te2Se",
"formula_anonymous": "AB2C3",
"energy": -25.58083518,
"energy_per_atom": -4.2634725300000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.26483518,
"band_gap": 0.3346,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.869000Z",
"spacegroup": 164
},
{
"id": "mp-1223803",
"created_at": "2022-09-04T14:40:19.837369Z",
"structure_string": "K6 Zn4 Sn5 S17\n1.0\n9.909119 4.940753 0.000000\n-9.909119 4.940753 0.000000\n0.000000 4.878994 9.887439\nK Zn Sn S\n6 4 5 17\ndirect\n0.250305 0.749695 0.500000 K\n0.583504 0.416496 0.000000 K\n0.508408 0.004044 0.981791 K\n0.995956 0.491592 0.018209 K\n0.990641 0.009359 0.500000 K\n0.508379 0.491621 0.500000 K\n0.025059 0.386807 0.362098 Zn\n0.750421 0.387623 0.636537 Zn\n0.613193 0.974941 0.637902 Zn\n0.612377 0.249579 0.363463 Zn\n0.998855 0.001145 0.000000 Sn\n0.974114 0.696208 0.276571 Sn\n0.971805 0.248796 0.723052 Sn\n0.751204 0.028195 0.276948 Sn\n0.303792 0.025886 0.723429 Sn\n0.171312 0.664500 0.222397 S\n0.886249 0.394916 0.778542 S\n0.886257 0.664272 0.506866 S\n0.171335 0.394980 0.493621 S\n0.605020 0.828665 0.506379 S\n0.335728 0.113743 0.493134 S\n0.605084 0.113751 0.221458 S\n0.335500 0.828688 0.777603 S\n0.139698 0.996053 0.143557 S\n0.139504 0.283178 0.856054 S\n0.716822 0.860496 0.143946 S\n0.003947 0.860302 0.856443 S\n0.741863 0.520982 0.220995 S\n0.743078 0.964606 0.779256 S\n0.035394 0.256922 0.220744 S\n0.479018 0.258137 0.779005 S\n0.749976 0.250024 0.500000 S\n",
"nsites": 32,
"nelements": 4,
"elements": [
"K",
"Zn",
"Sn",
"S"
],
"chemical_system": "K-S-Sn-Zn",
"density": 2.8040980228766172,
"density_atomic": 0.03305277890241072,
"volume": 968.1485509730035,
"volume_molar": 18.21977140796707,
"formula_full": "K6 Zn4 Sn5 S17",
"formula_reduced": "K6Zn4Sn5S17",
"formula_anonymous": "A4B5C6D17",
"energy": -136.42912314,
"energy_per_atom": -4.263410098125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.87812314,
"band_gap": 1.6338,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.962000Z",
"spacegroup": 5
},
{
"id": "mp-962077",
"created_at": "2022-09-04T14:45:19.746626Z",
"structure_string": "Ti1 Au1 Cl1\n1.0\n0.000000 3.093289 3.093289\n3.093289 0.000000 3.093289\n3.093289 3.093289 0.000000\nTi Au Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Au\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Ti",
"density": 7.862486225649557,
"density_atomic": 0.05067920196074635,
"volume": 59.19588083339699,
"volume_molar": 11.882864226363425,
"formula_full": "Ti1 Au1 Cl1",
"formula_reduced": "TiAuCl",
"formula_anonymous": "ABC",
"energy": -12.790007120000002,
"energy_per_atom": -4.263335706666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.17600712,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.632000Z",
"spacegroup": 216
},
{
"id": "mp-862654",
"created_at": "2022-09-04T14:46:42.802814Z",
"structure_string": "La1 Ga1 Au2\n1.0\n0.000000 3.570677 3.570677\n3.570677 0.000000 3.570677\n3.570677 3.570677 0.000000\nLa Ga Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ga",
"Au"
],
"chemical_system": "Au-Ga-La",
"density": 10.989270427457011,
"density_atomic": 0.04393172914310301,
"volume": 91.05036560182775,
"volume_molar": 13.707952947591721,
"formula_full": "La1 Ga1 Au2",
"formula_reduced": "LaGaAu2",
"formula_anonymous": "ABC2",
"energy": -17.05328235,
"energy_per_atom": -4.2633205875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.05328235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.583000Z",
"spacegroup": 225
},
{
"id": "mp-1224371",
"created_at": "2022-09-04T14:47:00.322003Z",
"structure_string": "Ge2 As2 Au2\n1.0\n-3.013708 -3.177096 2.293608\n-3.013708 3.177096 2.293608\n-5.837637 0.000000 -2.661811\nGe As Au\n2 2 2\ndirect\n0.933782 0.192974 0.330062 Ge\n0.307026 0.566218 0.169938 Ge\n0.063988 0.808200 0.663862 As\n0.691800 0.436012 0.836138 As\n0.503259 0.499855 0.497064 Au\n0.000145 0.996741 0.002936 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ge",
"As",
"Au"
],
"chemical_system": "As-Au-Ge",
"density": 8.41013669893859,
"density_atomic": 0.04410120703020291,
"volume": 136.05069802037102,
"volume_molar": 13.655274232915461,
"formula_full": "Ge2 As2 Au2",
"formula_reduced": "GeAsAu",
"formula_anonymous": "ABC",
"energy": -25.57977474,
"energy_per_atom": -4.26329579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.57977474,
"band_gap": 0.1764000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.047000Z",
"spacegroup": 5
},
{
"id": "mp-7474",
"created_at": "2022-09-04T14:40:38.076808Z",
"structure_string": "Cu4 As2\n1.0\n3.799374 0.000000 0.000000\n0.000000 3.799374 0.000000\n0.000000 0.000000 5.946324\nCu As\n4 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.300424 Cu\n0.000000 0.500000 0.699576 Cu\n0.500000 0.000000 0.710904 As\n0.000000 0.500000 0.289096 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"As"
],
"chemical_system": "As-Cu",
"density": 7.8160447866719975,
"density_atomic": 0.06990022737291315,
"volume": 85.83663065915925,
"volume_molar": 8.615337869893144,
"formula_full": "Cu4 As2",
"formula_reduced": "Cu2As",
"formula_anonymous": "AB2",
"energy": -25.579221770000004,
"energy_per_atom": -4.263203628333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.579221770000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.484000Z",
"spacegroup": 129
}
]
}