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_atomic&page=12185",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=12183",
"results": [
{
"id": "mp-643432",
"created_at": "2022-09-04T14:40:21.596865Z",
"structure_string": "H12 N4\n1.0\n3.402892 0.000000 0.000000\n0.000000 5.648562 0.000000\n0.000000 0.000000 5.889895\nH N\n12 4\ndirect\n0.122242 0.484159 0.055381 H\n0.877758 0.984159 0.444619 H\n0.622242 0.015841 0.944619 H\n0.377758 0.515841 0.555381 H\n0.729530 0.570518 0.916936 H\n0.270470 0.070518 0.583064 H\n0.229530 0.929482 0.083064 H\n0.770470 0.429482 0.416936 H\n0.978653 0.340444 0.826291 H\n0.021347 0.840444 0.673709 H\n0.478653 0.159556 0.173709 H\n0.521347 0.659556 0.326291 H\n0.010115 0.506391 0.895209 N\n0.989885 0.006391 0.604791 N\n0.510115 0.993609 0.104791 N\n0.489885 0.493609 0.395209 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.9991791868171832,
"density_atomic": 0.1413273983308749,
"volume": 113.21230128740423,
"volume_molar": 4.261127588226734,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"energy": -80.55381112,
"energy_per_atom": -5.034613195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.10981112,
"band_gap": 4.4529,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.631000Z",
"spacegroup": 19
},
{
"id": "mp-982982",
"created_at": "2022-09-04T14:45:29.262909Z",
"structure_string": "Hf1 H3\n1.0\n-1.526512 1.526512 3.034032\n1.526512 -1.526512 3.034032\n1.526512 1.526512 -3.034032\nHf H\n1 3\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 H\n0.250000 0.750000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"H"
],
"chemical_system": "H-Hf",
"density": 10.65806097526149,
"density_atomic": 0.14144232862019723,
"volume": 28.280077392821013,
"volume_molar": 4.257665169081549,
"formula_full": "Hf1 H3",
"formula_reduced": "HfH3",
"formula_anonymous": "AB3",
"energy": -21.51194428,
"energy_per_atom": -5.37798607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.97494428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001204,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.016000Z",
"spacegroup": 139
},
{
"id": "mp-1193955",
"created_at": "2022-09-04T14:40:33.366995Z",
"structure_string": "Mg2 Si2 H12 O12\n1.0\n5.202570 0.000000 0.000000\n0.000000 5.161750 0.000000\n0.000000 0.010631 7.364032\nMg Si H O\n2 2 12 12\ndirect\n0.008149 0.752794 0.251218 Mg\n0.508149 0.247206 0.748782 Mg\n0.507834 0.252043 0.249209 Si\n0.007834 0.747957 0.750791 Si\n0.301044 0.458484 0.489613 H\n0.801044 0.541516 0.510387 H\n0.201224 0.964609 0.985577 H\n0.701224 0.035391 0.014423 H\n0.044691 0.303581 0.773779 H\n0.544691 0.696419 0.226221 H\n0.453950 0.773733 0.731286 H\n0.953950 0.226267 0.268714 H\n0.351892 0.934163 0.447175 H\n0.851892 0.065837 0.552825 H\n0.191907 0.412258 0.051064 H\n0.691907 0.587742 0.948936 H\n0.467234 0.367218 0.479325 O\n0.967234 0.632782 0.520675 O\n0.038286 0.866912 0.980083 O\n0.538286 0.133088 0.019917 O\n0.310859 0.890764 0.690814 O\n0.810859 0.109236 0.309186 O\n0.168577 0.441793 0.811595 O\n0.668577 0.558207 0.188405 O\n0.349406 0.948958 0.312049 O\n0.849406 0.051042 0.687951 O\n0.205946 0.402172 0.186855 O\n0.705946 0.597828 0.813145 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mg",
"Si",
"H",
"O"
],
"chemical_system": "H-Mg-O-Si",
"density": 2.593540093695127,
"density_atomic": 0.14158833200698737,
"volume": 197.7564083360923,
"volume_molar": 4.253274739971376,
"formula_full": "Mg2 Si2 H12 O12",
"formula_reduced": "MgSi(HO)6",
"formula_anonymous": "ABC6D6",
"energy": -168.00342138,
"energy_per_atom": -6.0001221921428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.75942138,
"band_gap": 5.5255,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.915000Z",
"spacegroup": 4
},
{
"id": "mp-1095432",
"created_at": "2022-09-04T14:39:27.254109Z",
"structure_string": "H8 W4\n1.0\n3.113467 0.000000 0.000000\n0.000000 5.059199 0.000000\n0.000000 0.000000 5.363934\nH W\n8 4\ndirect\n0.250000 0.612905 0.073947 H\n0.250000 0.112905 0.426053 H\n0.750000 0.387095 0.926053 H\n0.750000 0.887095 0.573947 H\n0.250000 0.475353 0.669831 H\n0.250000 0.975353 0.830169 H\n0.750000 0.524647 0.330169 H\n0.750000 0.024647 0.169831 H\n0.750000 0.771254 0.914055 W\n0.750000 0.271254 0.585945 W\n0.250000 0.228746 0.085945 W\n0.250000 0.728746 0.414055 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"W"
],
"chemical_system": "H-W",
"density": 14.61086538834209,
"density_atomic": 0.1420272869888461,
"volume": 84.49080634020984,
"volume_molar": 4.240129405888702,
"formula_full": "H8 W4",
"formula_reduced": "H2W",
"formula_anonymous": "AB2",
"energy": -76.86748622,
"energy_per_atom": -6.405623851666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.43548622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.740000Z",
"spacegroup": 62
},
{
"id": "mp-1103394",
"created_at": "2022-09-04T14:47:46.545978Z",
"structure_string": "Li1 B11\n1.0\n0.000000 3.481277 3.481277\n3.481277 0.000000 3.481277\n3.481277 3.481277 0.000000\nLi B\n1 11\ndirect\n0.250000 0.250000 0.250000 Li\n0.302603 0.302603 0.697397 B\n0.697397 0.302603 0.697397 B\n0.302603 0.697397 0.697397 B\n0.697397 0.697397 0.302603 B\n0.302603 0.697397 0.302603 B\n0.697397 0.302603 0.302603 B\n0.439152 0.853616 0.853616 B\n0.853616 0.439152 0.853616 B\n0.853616 0.853616 0.853616 B\n0.853616 0.853616 0.439152 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 2.47684020063473,
"density_atomic": 0.1422117589112227,
"volume": 84.3812079385864,
"volume_molar": 4.234629264208307,
"formula_full": "Li1 B11",
"formula_reduced": "LiB11",
"formula_anonymous": "AB11",
"energy": -65.8325513,
"energy_per_atom": -5.486045941666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.8325513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000903,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.449000Z",
"spacegroup": 216
},
{
"id": "mp-1001831",
"created_at": "2022-09-04T14:42:19.567817Z",
"structure_string": "Li2 B2\n1.0\n0.000000 2.412716 2.412716\n2.412716 0.000000 2.412716\n2.412716 2.412716 0.000000\nLi B\n2 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 B\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 2.0988324679780304,
"density_atomic": 0.1424004569422017,
"volume": 28.089797504115758,
"volume_molar": 4.229017862242044,
"formula_full": "Li2 B2",
"formula_reduced": "LiB",
"formula_anonymous": "AB",
"energy": -16.32178297,
"energy_per_atom": -4.0804457425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.32178297,
"band_gap": 1.7264999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.686000Z",
"spacegroup": 227
},
{
"id": "mp-1407206",
"created_at": "2022-09-04T14:48:05.752490Z",
"structure_string": "Li2 B2 H8\n1.0\n4.072911 0.000000 0.000000\n-0.000264 4.080363 0.000000\n-0.010607 -0.019123 5.066643\nLi B H\n2 2 8\ndirect\n0.748214 0.759068 0.749589 Li\n0.251786 0.240932 0.250411 Li\n0.257685 0.244246 0.751489 B\n0.742315 0.755754 0.248511 B\n0.757361 0.507400 0.388262 H\n0.995557 0.748982 0.109633 H\n0.756012 0.001259 0.381695 H\n0.243988 0.998741 0.618305 H\n0.004443 0.251018 0.890367 H\n0.505484 0.249968 0.887766 H\n0.242639 0.492600 0.611738 H\n0.494516 0.750032 0.112234 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.8591874231450204,
"density_atomic": 0.14251389851492313,
"volume": 84.20231377463467,
"volume_molar": 4.225651548904475,
"formula_full": "Li2 B2 H8",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy": -49.158293920000006,
"energy_per_atom": -4.096524493333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.72629392,
"band_gap": 5.483,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.093000Z",
"spacegroup": 11
},
{
"id": "mp-675926",
"created_at": "2022-09-04T14:48:21.332767Z",
"structure_string": "Li2 B2 H8\n1.0\n4.072911 0.000000 0.000000\n-0.000264 4.080363 0.000000\n-0.010607 -0.019123 5.066643\nLi B H\n2 2 8\ndirect\n0.991668 0.010515 0.000832 Li\n0.495239 0.492378 0.501655 Li\n0.501138 0.495693 0.002732 B\n0.995871 0.003016 0.500112 B\n0.000815 0.758846 0.639506 H\n0.239011 0.000428 0.360877 H\n0.999466 0.252706 0.632939 H\n0.499693 0.245436 0.872560 H\n0.254427 0.503064 0.139071 H\n0.748938 0.501414 0.139010 H\n0.500927 0.739669 0.862901 H\n0.743706 0.998129 0.369204 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.8591874231450204,
"density_atomic": 0.14251389851492313,
"volume": 84.20231377463467,
"volume_molar": 4.225651548904475,
"formula_full": "Li2 B2 H8",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy": -49.20345080999999,
"energy_per_atom": -4.1002875675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.77145081,
"band_gap": 5.6481,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:30.246000Z",
"spacegroup": 2
},
{
"id": "mp-684592",
"created_at": "2022-09-04T14:40:36.368574Z",
"structure_string": "H16 N16\n1.0\n6.197146 0.000000 0.000000\n-1.479440 -6.085592 0.000000\n-2.775090 0.422787 -5.943238\nH N\n16 16\ndirect\n0.038062 0.364284 0.631574 H\n0.670255 0.993607 0.316952 H\n0.801897 0.008276 0.881828 H\n0.902135 0.852510 0.624800 H\n0.229262 0.650834 0.067214 H\n0.474170 0.622716 0.338424 H\n0.474250 0.621418 0.872699 H\n0.445084 0.853891 0.567729 H\n0.554916 0.146109 0.432271 H\n0.525750 0.378582 0.127301 H\n0.525830 0.377284 0.661576 H\n0.770738 0.349166 0.932786 H\n0.097865 0.147490 0.375200 H\n0.198103 0.991724 0.118172 H\n0.329745 0.006393 0.683048 H\n0.961938 0.635716 0.368426 H\n0.518144 0.212045 0.118506 N\n0.142015 0.397948 0.227979 N\n0.103804 0.163700 0.849028 N\n0.351760 0.852652 0.666191 N\n0.268181 0.091465 0.019085 N\n0.290983 0.582275 0.219585 N\n0.237424 0.282607 0.391349 N\n0.811492 0.663871 0.231192 N\n0.188508 0.336129 0.768808 N\n0.762576 0.717393 0.608651 N\n0.709017 0.417725 0.780415 N\n0.731819 0.908535 0.980915 N\n0.648240 0.147348 0.333809 N\n0.896196 0.836300 0.150972 N\n0.857985 0.602052 0.772021 N\n0.481856 0.787955 0.881494 N\n",
"nsites": 32,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 1.7797799972661363,
"density_atomic": 0.14276846689728198,
"volume": 224.13913026763205,
"volume_molar": 4.218116850923928,
"formula_full": "H16 N16",
"formula_reduced": "HN",
"formula_anonymous": "AB",
"energy": -186.90581552,
"energy_per_atom": -5.840806735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.12981552,
"band_gap": 1.8061,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.273000Z",
"spacegroup": 2
},
{
"id": "mp-2542",
"created_at": "2022-09-04T14:40:23.961092Z",
"structure_string": "Be2 O2\n1.0\n1.354855 -2.346678 0.000000\n1.354855 2.346678 0.000000\n0.000000 0.000000 4.402034\nBe O\n2 2\ndirect\n0.333333 0.666667 0.500042 Be\n0.666667 0.333333 0.000042 Be\n0.333333 0.666667 0.122258 O\n0.666667 0.333333 0.622258 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 2.9674987632823218,
"density_atomic": 0.14289935969494286,
"volume": 27.991727944331426,
"volume_molar": 4.2142531449097325,
"formula_full": "Be2 O2",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy": -29.78617095,
"energy_per_atom": -7.4465427375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.41217095,
"band_gap": 7.463900000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.007000Z",
"spacegroup": 186
},
{
"id": "mp-1778",
"created_at": "2022-09-04T14:47:26.105300Z",
"structure_string": "Be1 O1\n1.0\n0.000000 1.912045 1.912045\n1.912045 0.000000 1.912045\n1.912045 1.912045 0.000000\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 2.9707488403850077,
"density_atomic": 0.14305586656284106,
"volume": 13.980552130110983,
"volume_molar": 4.20964264150231,
"formula_full": "Be1 O1",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy": -14.87992922,
"energy_per_atom": -7.43996461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.19292922,
"band_gap": 6.847700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.209000Z",
"spacegroup": 216
},
{
"id": "mp-1193675",
"created_at": "2022-09-04T14:41:03.900007Z",
"structure_string": "B28\n1.0\n5.042795 0.000000 0.000000\n0.000000 5.612143 0.000000\n0.000000 0.000000 6.914994\nB\n28\ndirect\n0.652508 0.907293 0.290688 B\n0.347492 0.092707 0.290688 B\n0.152508 0.592707 0.209312 B\n0.847492 0.407293 0.209312 B\n0.347492 0.092707 0.709312 B\n0.652508 0.907293 0.709312 B\n0.847492 0.407293 0.790688 B\n0.152508 0.592707 0.790688 B\n0.147683 0.771529 0.000000 B\n0.852317 0.228471 0.000000 B\n0.647683 0.728471 0.500000 B\n0.352317 0.271529 0.500000 B\n0.835416 0.991573 0.500000 B\n0.164584 0.008427 0.500000 B\n0.335416 0.508427 0.000000 B\n0.664584 0.491573 0.000000 B\n0.338900 0.781252 0.374261 B\n0.661100 0.218748 0.374261 B\n0.838900 0.718748 0.125739 B\n0.161100 0.281252 0.125739 B\n0.661100 0.218748 0.625739 B\n0.338900 0.781252 0.625739 B\n0.161100 0.281252 0.874261 B\n0.838900 0.718748 0.874261 B\n0.170314 0.520950 0.500000 B\n0.829686 0.479050 0.500000 B\n0.670314 0.979050 0.000000 B\n0.329686 0.020950 0.000000 B\n",
"nsites": 28,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.568509323162839,
"density_atomic": 0.14307579958194735,
"volume": 195.70046144640182,
"volume_molar": 4.209056162954233,
"formula_full": "B28",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -186.25475852,
"energy_per_atom": -6.6519556614285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.25475852,
"band_gap": 1.5133,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003855,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:13.126000Z",
"spacegroup": 58
}
]
}