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=-id&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=48",
"results": [
{
"id": "mp-995202",
"created_at": "2022-09-04T14:45:11.588698Z",
"structure_string": "H2 C12\n1.0\n2.464570 0.000000 0.000000\n-0.010386 3.754662 0.000000\n-0.996268 -1.558602 14.176672\nH C\n2 12\ndirect\n0.182433 0.252496 0.954645 H\n0.817567 0.747504 0.045355 H\n0.641160 0.056595 0.835871 C\n0.358840 0.943405 0.164129 C\n0.477774 0.420478 0.451859 C\n0.522226 0.579522 0.548141 C\n0.082576 0.817498 0.691848 C\n0.917424 0.182502 0.308152 C\n0.158693 0.131848 0.881452 C\n0.841307 0.868152 0.118548 C\n0.043281 0.658162 0.595746 C\n0.956719 0.341838 0.404254 C\n0.601686 0.896191 0.739155 C\n0.398314 0.103809 0.260845 C\n",
"nsites": 14,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.8498845407708675,
"density_atomic": 0.1067189980844132,
"volume": 131.18563940158248,
"volume_molar": 5.642988472620942,
"formula_full": "H2 C12",
"formula_reduced": "HC6",
"formula_anonymous": "AB6",
"energy": -116.96493660000002,
"energy_per_atom": -8.35463832857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.96493660000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0134323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.162000Z",
"spacegroup": 2
},
{
"id": "mp-995201",
"created_at": "2022-09-04T14:48:19.107163Z",
"structure_string": "Ti10 Si6 C2\n1.0\n3.736568 -6.471926 0.000000\n3.736568 6.471926 0.000000\n0.000000 0.000000 5.169398\nTi Si C\n10 6 2\ndirect\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.333333 0.666667 0.500000 Ti\n0.231732 0.000000 0.250000 Ti\n0.768268 0.000000 0.750000 Ti\n0.000000 0.231732 0.250000 Ti\n0.000000 0.768268 0.750000 Ti\n0.768268 0.768268 0.250000 Ti\n0.231732 0.231732 0.750000 Ti\n0.593602 0.000000 0.250000 Si\n0.406398 0.000000 0.750000 Si\n0.000000 0.593602 0.250000 Si\n0.000000 0.406398 0.750000 Si\n0.406398 0.406398 0.250000 Si\n0.593602 0.593602 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"C"
],
"chemical_system": "C-Si-Ti",
"density": 4.457870960467865,
"density_atomic": 0.07199396720527497,
"volume": 250.0209489591948,
"volume_molar": 8.364785264339147,
"formula_full": "Ti10 Si6 C2",
"formula_reduced": "Ti5Si3C",
"formula_anonymous": "AB3C5",
"energy": -144.31055021,
"energy_per_atom": -8.017252789444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.73655021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.879000Z",
"spacegroup": 193
},
{
"id": "mp-995200",
"created_at": "2022-09-04T14:40:01.890176Z",
"structure_string": "H2 C6\n1.0\n2.463933 0.000000 0.000000\n0.000000 3.663947 0.000000\n0.000000 0.241450 8.103771\nH C\n2 6\ndirect\n0.250000 0.239874 0.080503 H\n0.750000 0.760126 0.919497 H\n0.250000 0.322535 0.208830 C\n0.750000 0.677465 0.791170 C\n0.750000 0.374387 0.288825 C\n0.750000 0.484766 0.458763 C\n0.250000 0.515234 0.541237 C\n0.250000 0.625613 0.711175 C\n",
"nsites": 8,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.6814552093698003,
"density_atomic": 0.10935150130463708,
"volume": 73.1585749125948,
"volume_molar": 5.507140449058133,
"formula_full": "H2 C6",
"formula_reduced": "HC3",
"formula_anonymous": "AB3",
"energy": -61.69200017,
"energy_per_atom": -7.71150002125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.69200017,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.15e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.529000Z",
"spacegroup": 11
},
{
"id": "mp-9952",
"created_at": "2022-09-04T14:39:14.972405Z",
"structure_string": "Hf10 Zn2 Sb6\n1.0\n4.300491 -7.448669 0.000000\n4.300491 7.448669 0.000000\n0.000000 0.000000 5.786708\nHf Zn Sb\n10 2 6\ndirect\n0.730888 0.730888 0.250000 Hf\n0.730888 0.000000 0.750000 Hf\n0.000000 0.269112 0.250000 Hf\n0.000000 0.730888 0.750000 Hf\n0.269112 0.269112 0.750000 Hf\n0.269112 0.000000 0.250000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.000000 Hf\n0.666667 0.333333 0.500000 Hf\n0.333333 0.666667 0.000000 Hf\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.386041 0.000000 0.750000 Sb\n0.386041 0.386041 0.250000 Sb\n0.000000 0.613959 0.250000 Sb\n0.000000 0.386041 0.750000 Sb\n0.613959 0.613959 0.750000 Sb\n0.613959 0.000000 0.250000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hf",
"Zn",
"Sb"
],
"chemical_system": "Hf-Sb-Zn",
"density": 11.852945321991948,
"density_atomic": 0.048552793513650355,
"volume": 370.73047084179404,
"volume_molar": 12.403283774613108,
"formula_full": "Hf10 Zn2 Sb6",
"formula_reduced": "Hf5ZnSb3",
"formula_anonymous": "AB3C5",
"energy": -136.96220205999998,
"energy_per_atom": -7.609011225555554,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.81020206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004185,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.681000Z",
"spacegroup": 193
},
{
"id": "mp-995198",
"created_at": "2022-09-04T14:42:54.053287Z",
"structure_string": "C4 O8\n1.0\n4.097631 0.000000 0.000000\n0.000000 3.702413 0.000000\n0.000000 1.330186 9.947058\nC O\n4 8\ndirect\n0.143077 0.093125 0.184160 C\n0.643077 0.906875 0.315840 C\n0.856923 0.906875 0.815840 C\n0.356923 0.093125 0.684160 C\n0.242449 0.243691 0.079870 O\n0.742449 0.756309 0.420130 O\n0.757551 0.756309 0.920130 O\n0.257551 0.243691 0.579870 O\n0.304222 0.929789 0.295320 O\n0.804222 0.070211 0.204680 O\n0.695778 0.070211 0.704680 O\n0.195778 0.929789 0.795320 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 1.9370604059465586,
"density_atomic": 0.07951862958632236,
"volume": 150.90803328009147,
"volume_molar": 7.5732451518956285,
"formula_full": "C4 O8",
"formula_reduced": "CO2",
"formula_anonymous": "AB2",
"energy": -93.90913618,
"energy_per_atom": -7.825761348333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.41313618,
"band_gap": 3.9613,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.435000Z",
"spacegroup": 14
},
{
"id": "mp-995197",
"created_at": "2022-09-04T14:47:12.920401Z",
"structure_string": "H8 C8\n1.0\n5.315095 3.000190 0.000000\n-5.315095 3.000190 0.000000\n0.000000 1.363698 4.666745\nH C\n8 8\ndirect\n0.363130 0.958958 0.273615 H\n0.041042 0.636870 0.726385 H\n0.636870 0.041042 0.726385 H\n0.958958 0.363130 0.273615 H\n0.285379 0.450852 0.836882 H\n0.549148 0.714621 0.163118 H\n0.714621 0.549148 0.163118 H\n0.450852 0.285379 0.836882 H\n0.181949 0.181949 0.239103 C\n0.818051 0.818051 0.760897 C\n0.380588 0.380588 0.968302 C\n0.619412 0.619412 0.031698 C\n0.202610 0.976843 0.372148 C\n0.023157 0.797390 0.627852 C\n0.797390 0.023157 0.627852 C\n0.976843 0.202610 0.372148 C\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.161985865291602,
"density_atomic": 0.10750189642442931,
"volume": 148.83458368799597,
"volume_molar": 5.601892580781947,
"formula_full": "H8 C8",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy": -101.75805143,
"energy_per_atom": -6.359878214375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.75805143,
"band_gap": 3.5572000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010151,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.372000Z",
"spacegroup": 12
},
{
"id": "mp-995196",
"created_at": "2022-09-04T14:45:42.840556Z",
"structure_string": "C1 O3\n1.0\n3.542026 0.000000 0.000000\n0.000000 3.542026 0.000000\n0.000000 0.000000 2.630081\nC O\n1 3\ndirect\n0.000000 0.000000 0.500000 C\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"O"
],
"chemical_system": "C-O",
"density": 3.01989713421928,
"density_atomic": 0.12122365601951642,
"volume": 32.99685994750084,
"volume_molar": 4.967793381046406,
"formula_full": "C1 O3",
"formula_reduced": "CO3",
"formula_anonymous": "AB3",
"energy": -17.08561872,
"energy_per_atom": -4.27140468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.02461872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0394479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.478000Z",
"spacegroup": 123
},
{
"id": "mp-995195",
"created_at": "2022-09-04T14:40:22.240503Z",
"structure_string": "H2 C2\n1.0\n2.669109 -3.134663 0.000000\n2.669109 3.134663 0.000000\n0.000000 0.000000 2.470405\nH C\n2 2\ndirect\n0.233553 0.233553 0.250000 H\n0.766447 0.766447 0.750000 H\n0.438947 0.438947 0.250000 C\n0.561053 0.561053 0.750000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.0458981387924484,
"density_atomic": 0.09676196307151567,
"volume": 41.338557766171455,
"volume_molar": 6.223665342081892,
"formula_full": "H2 C2",
"formula_reduced": "HC",
"formula_anonymous": "AB",
"energy": -25.18574733,
"energy_per_atom": -6.2964368325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.18574733,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.060000Z",
"spacegroup": 63
},
{
"id": "mp-995194",
"created_at": "2022-09-04T14:42:03.469844Z",
"structure_string": "K2 Ba2 Si2 H2 O8\n1.0\n8.131681 0.000000 0.000000\n0.000000 5.882797 0.000000\n0.000000 2.867829 5.320790\nK Ba Si H O\n2 2 2 2 8\ndirect\n0.230906 0.369772 0.296674 K\n0.730906 0.630228 0.703326 K\n0.483036 0.013869 0.993353 Ba\n0.983036 0.986131 0.006647 Ba\n0.245451 0.701068 0.621301 Si\n0.745451 0.298932 0.378699 Si\n0.009792 0.513460 0.538618 H\n0.509792 0.486540 0.461382 H\n0.238915 0.837357 0.801790 O\n0.738915 0.162643 0.198210 O\n0.236507 0.906413 0.319802 O\n0.736507 0.093587 0.680198 O\n0.402166 0.501795 0.682965 O\n0.902166 0.498205 0.317035 O\n0.070225 0.512462 0.687484 O\n0.570225 0.487538 0.312516 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"K",
"Ba",
"Si",
"H",
"O"
],
"chemical_system": "Ba-H-K-O-Si",
"density": 3.5166073490039658,
"density_atomic": 0.06286076595035633,
"volume": 254.53078336073474,
"volume_molar": 9.580126282196316,
"formula_full": "K2 Ba2 Si2 H2 O8",
"formula_reduced": "KBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy": -106.7136606,
"energy_per_atom": -6.6696037875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.2176606,
"band_gap": 3.928500000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.238000Z",
"spacegroup": 4
},
{
"id": "mp-995193",
"created_at": "2022-09-04T14:44:19.200243Z",
"structure_string": "Si6 H2\n1.0\n1.930908 -3.344432 0.000000\n1.930908 3.344432 0.000000\n0.000000 0.000000 11.302199\nSi H\n6 2\ndirect\n0.333333 0.666667 0.534961 Si\n0.666667 0.333333 0.465039 Si\n0.333333 0.666667 0.746665 Si\n0.666667 0.333333 0.253335 Si\n0.666667 0.333333 0.814749 Si\n0.333333 0.666667 0.185251 Si\n0.666667 0.333333 0.947278 H\n0.333333 0.666667 0.052722 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 1.9398588911538357,
"density_atomic": 0.05480410497554667,
"volume": 145.9744667588233,
"volume_molar": 10.988484827344685,
"formula_full": "Si6 H2",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy": -39.41042377,
"energy_per_atom": -4.92630297125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.05242377,
"band_gap": 0.8982000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.900000Z",
"spacegroup": 164
},
{
"id": "mp-995192",
"created_at": "2022-09-04T14:41:09.305124Z",
"structure_string": "Rb2 Ba2 Si2 H2 O8\n1.0\n8.247817 0.000000 0.000000\n0.000000 5.980072 0.000000\n0.000000 2.850425 5.339564\nRb Ba Si H O\n2 2 2 2 8\ndirect\n0.230595 0.364795 0.290032 Rb\n0.730595 0.635205 0.709968 Rb\n0.482260 0.015730 0.990351 Ba\n0.982260 0.984270 0.009649 Ba\n0.245646 0.694603 0.620378 Si\n0.745646 0.305397 0.379622 Si\n0.011615 0.514428 0.540867 H\n0.511615 0.485572 0.459133 H\n0.238425 0.842498 0.788696 O\n0.738425 0.157502 0.211304 O\n0.238151 0.885148 0.317342 O\n0.738151 0.114852 0.682658 O\n0.397894 0.493243 0.692056 O\n0.897894 0.506757 0.307944 O\n0.072416 0.507796 0.689513 O\n0.572416 0.492204 0.310487 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Ba",
"Si",
"H",
"O"
],
"chemical_system": "Ba-H-O-Rb-Si",
"density": 3.9834376698158604,
"density_atomic": 0.060753143894281665,
"volume": 263.3608563178569,
"volume_molar": 9.912475921376686,
"formula_full": "Rb2 Ba2 Si2 H2 O8",
"formula_reduced": "RbBaSiHO4",
"formula_anonymous": "ABCDE4",
"energy": -106.12369058,
"energy_per_atom": -6.63273066125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.62769058,
"band_gap": 3.9078,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.352000Z",
"spacegroup": 4
},
{
"id": "mp-995191",
"created_at": "2022-09-04T14:48:02.205549Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n2.903544 -2.924228 0.000000\n2.903544 2.924228 0.000000\n0.000000 0.000000 5.032511\nBa Ti O\n1 1 3\ndirect\n0.003352 0.996648 0.000000 Ba\n0.508998 0.491002 0.500000 Ti\n0.990330 0.009670 0.500000 O\n0.488830 0.012310 0.500000 O\n0.987690 0.511170 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 4.531153196471881,
"density_atomic": 0.05850805122064009,
"volume": 85.45832403722468,
"volume_molar": 10.29284112931717,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy": -33.08646215,
"energy_per_atom": -6.617292430000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.02546215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2176743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.712000Z",
"spacegroup": 38
}
]
}