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&page=10228",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10226",
"results": [
{
"id": "mp-1245847",
"created_at": "2022-09-04T14:44:21.756437Z",
"structure_string": "Cr2 Pb2 N4\n1.0\n3.617665 0.000000 0.000000\n0.000000 3.617665 0.000000\n0.000000 0.000000 9.790362\nCr Pb N\n2 2 4\ndirect\n0.750000 0.750000 0.570314 Cr\n0.250000 0.250000 0.429686 Cr\n0.750000 0.750000 0.131168 Pb\n0.250000 0.250000 0.868832 Pb\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.738731 N\n0.250000 0.250000 0.261269 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Pb",
"N"
],
"chemical_system": "Cr-N-Pb",
"density": 7.44427567441411,
"density_atomic": 0.06243592357921052,
"volume": 128.13136318630168,
"volume_molar": 9.645313810982387,
"formula_full": "Cr2 Pb2 N4",
"formula_reduced": "CrPbN2",
"formula_anonymous": "ABC2",
"energy": -60.77584998,
"energy_per_atom": -7.5969812475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.33184998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3491253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.685000Z",
"spacegroup": 129
},
{
"id": "mp-1219795",
"created_at": "2022-09-04T14:46:32.409182Z",
"structure_string": "Ni6 Sn1 Se2\n1.0\n-1.845553 1.845553 9.404161\n1.845553 -1.845553 9.404161\n1.845553 1.845553 -9.404161\nNi Sn Se\n6 1 2\ndirect\n0.500878 0.500878 0.000000 Ni\n0.900175 0.400175 0.500000 Ni\n0.400175 0.900175 0.500000 Ni\n0.102199 0.602199 0.500000 Ni\n0.602199 0.102199 0.500000 Ni\n0.800886 0.800886 0.000000 Ni\n0.000332 0.000332 0.000000 Sn\n0.316468 0.316468 0.000000 Se\n0.678188 0.678188 0.000000 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"Se"
],
"chemical_system": "Ni-Se-Sn",
"density": 8.14933009714584,
"density_atomic": 0.07024402991125316,
"volume": 128.12476749085536,
"volume_molar": 8.573170940802255,
"formula_full": "Ni6 Sn1 Se2",
"formula_reduced": "Ni6SnSe2",
"formula_anonymous": "AB2C6",
"energy": -48.52285542,
"energy_per_atom": -5.39142838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.57885542,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.272000Z",
"spacegroup": 107
},
{
"id": "mp-1517904",
"created_at": "2022-09-04T14:47:13.389850Z",
"structure_string": "Eu1 Ga1 Sn1 Sb1 O6\n1.0\n0.000000 -4.001295 -4.001295\n4.001295 0.000000 -4.001295\n4.001295 -4.001295 0.000000\nEu Ga Sn Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 -0.000000 Ga\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sb\n0.750809 0.249191 0.249191 O\n0.249191 0.750809 0.750809 O\n0.750809 0.249191 0.750809 O\n0.249191 0.750809 0.249191 O\n0.750809 0.750809 0.249191 O\n0.249191 0.249191 0.750809 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Eu",
"Ga",
"Sn",
"Sb",
"O"
],
"chemical_system": "Eu-Ga-O-Sb-Sn",
"density": 7.233874370384015,
"density_atomic": 0.07804917019884408,
"volume": 128.1243602529435,
"volume_molar": 7.715829322281749,
"formula_full": "Eu1 Ga1 Sn1 Sb1 O6",
"formula_reduced": "EuGaSnSbO6",
"formula_anonymous": "ABCDE6",
"energy": -72.48865782,
"energy_per_atom": -7.248865782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.36665782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.885294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.275000Z",
"spacegroup": 216
},
{
"id": "mp-1521920",
"created_at": "2022-09-04T14:47:58.249553Z",
"structure_string": "Sr2 Cr1 Sn1 O6\n1.0\n0.000000 -4.001273 -4.001273\n4.001273 -0.000000 -4.001273\n4.001273 -4.001273 -0.000000\nSr Cr Sn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.756406 0.243594 0.243594 O\n0.243594 0.756406 0.756406 O\n0.756406 0.243594 0.756406 O\n0.243594 0.756406 0.243594 O\n0.756406 0.756406 0.243594 O\n0.243594 0.243594 0.756406 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Cr",
"Sn",
"O"
],
"chemical_system": "Cr-O-Sn-Sr",
"density": 5.7278326302836176,
"density_atomic": 0.07805045760751525,
"volume": 128.1222468968219,
"volume_molar": 7.715702053001348,
"formula_full": "Sr2 Cr1 Sn1 O6",
"formula_reduced": "Sr2CrSnO6",
"formula_anonymous": "ABC2D6",
"energy": -72.17492921,
"energy_per_atom": -7.217492921,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05392921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000005,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.359000Z",
"spacegroup": 225
},
{
"id": "mp-1095534",
"created_at": "2022-09-04T14:46:24.019461Z",
"structure_string": "C12\n1.0\n-4.749414 4.749414 1.419953\n4.749414 -4.749414 1.419953\n4.749414 4.749414 -1.419953\nC\n12\ndirect\n0.785284 0.214716 0.000000 C\n0.214716 0.785284 0.000000 C\n0.214716 0.214716 0.429432 C\n0.785284 0.785284 0.570568 C\n0.936386 0.237972 0.174358 C\n0.063614 0.762028 0.825642 C\n0.063614 0.237972 0.301586 C\n0.936386 0.762028 0.698414 C\n0.762028 0.936386 0.698414 C\n0.237972 0.063614 0.301586 C\n0.237972 0.936386 0.174358 C\n0.762028 0.063614 0.825642 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8680334376516554,
"density_atomic": 0.09366281990069324,
"volume": 128.11914068702072,
"volume_molar": 6.429595827229016,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -97.26369794,
"energy_per_atom": -8.105308161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.26369794,
"band_gap": 0.3717999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.015000Z",
"spacegroup": 139
},
{
"id": "mp-34375",
"created_at": "2022-09-04T14:43:53.902753Z",
"structure_string": "Li7 Os1 O6\n1.0\n5.369832 0.000000 0.000000\n-2.671360 4.741871 0.000000\n-2.564406 -1.538753 5.031563\nLi Os O\n7 1 6\ndirect\n0.386923 0.858870 0.624160 Li\n0.735995 0.360176 0.039212 Li\n0.850918 0.760843 0.346564 Li\n0.150203 0.256673 0.628463 Li\n0.292357 0.635221 0.997150 Li\n0.594828 0.103378 0.356271 Li\n0.700187 0.504990 0.617285 Li\n0.003715 0.009551 0.002359 Os\n0.151454 0.783039 0.230296 O\n0.551254 0.633589 0.799186 O\n0.117294 0.901121 0.744517 O\n0.856504 0.090631 0.235442 O\n0.465283 0.371033 0.221497 O\n0.841085 0.231887 0.758598 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Os",
"O"
],
"chemical_system": "Li-O-Os",
"density": 4.339488882511389,
"density_atomic": 0.1092734581123622,
"volume": 128.1189434455737,
"volume_molar": 5.511073653226601,
"formula_full": "Li7 Os1 O6",
"formula_reduced": "Li7OsO6",
"formula_anonymous": "AB6C7",
"energy": -82.24948132,
"energy_per_atom": -5.8749629514285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.12748132,
"band_gap": 0.6890000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.544000Z",
"spacegroup": 1
},
{
"id": "mp-18857",
"created_at": "2022-09-04T14:42:47.065088Z",
"structure_string": "Sr2 Fe1 Mo1 O6\n1.0\n-2.844536 2.844536 3.958300\n2.844536 -2.844536 3.958300\n2.844536 2.844536 -3.958300\nSr Fe Mo O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Mo\n0.256473 0.256473 0.000000 O\n0.743527 0.743527 0.000000 O\n0.777060 0.275369 0.052429 O\n0.222940 0.724631 0.947571 O\n0.275369 0.222940 0.498309 O\n0.724631 0.777060 0.501691 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O-Sr",
"density": 5.483020492104341,
"density_atomic": 0.078056384865701,
"volume": 128.11251785751264,
"volume_molar": 7.715116156559548,
"formula_full": "Sr2 Fe1 Mo1 O6",
"formula_reduced": "Sr2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy": -77.70317613,
"energy_per_atom": -7.7703176130000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.12317613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0001816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.745000Z",
"spacegroup": 87
},
{
"id": "mp-1522188",
"created_at": "2022-09-04T14:42:27.493634Z",
"structure_string": "Sm1 Eu1 Ti1 Nb1 O6\n1.0\n-0.000000 -4.001144 -4.001144\n4.001144 0.000000 -4.001144\n4.001144 -4.001144 -0.000000\nSm Eu Ti Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 -0.000000 Nb\n0.746197 0.253803 0.253803 O\n0.253803 0.746197 0.746197 O\n0.746197 0.253803 0.746197 O\n0.253803 0.746197 0.253803 O\n0.746197 0.746197 0.253803 O\n0.253803 0.253803 0.746197 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sm",
"Eu",
"Ti",
"Nb",
"O"
],
"chemical_system": "Eu-Nb-O-Sm-Ti",
"density": 6.987645715214923,
"density_atomic": 0.07805800707360654,
"volume": 128.1098554126584,
"volume_molar": 7.714955820382768,
"formula_full": "Sm1 Eu1 Ti1 Nb1 O6",
"formula_reduced": "SmEuTiNbO6",
"formula_anonymous": "ABCDE6",
"energy": -95.17648523,
"energy_per_atom": -9.517648523,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.05448523,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2271838,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.352000Z",
"spacegroup": 216
},
{
"id": "mp-1387356",
"created_at": "2022-09-04T14:39:19.150930Z",
"structure_string": "Y2 Co2 O6\n1.0\n1.815444 -3.144441 0.000000\n1.815444 3.144441 0.000000\n0.000000 0.000000 11.219736\nY Co O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.750000 Co\n0.333333 0.666667 0.250000 Co\n0.333333 0.666667 0.415851 O\n0.666667 0.333333 0.915851 O\n0.666667 0.333333 0.584149 O\n0.333333 0.666667 0.084149 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Co",
"O"
],
"chemical_system": "Co-O-Y",
"density": 5.077330604746487,
"density_atomic": 0.0780658439037115,
"volume": 128.09699479242505,
"volume_molar": 7.714181335729707,
"formula_full": "Y2 Co2 O6",
"formula_reduced": "YCoO3",
"formula_anonymous": "ABC3",
"energy": -81.82845361,
"energy_per_atom": -8.182845361,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.43045361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0105039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.510000Z",
"spacegroup": 194
},
{
"id": "mp-1187728",
"created_at": "2022-09-04T14:40:25.857772Z",
"structure_string": "V2 I2\n1.0\n2.090576 -3.620983 0.000000\n2.090576 3.620983 0.000000\n0.000000 0.000000 8.460864\nV I\n2 2\ndirect\n0.666667 0.333333 0.852434 V\n0.333333 0.666667 0.352434 V\n0.666667 0.333333 0.522565 I\n0.333333 0.666667 0.022565 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"I"
],
"chemical_system": "I-V",
"density": 4.6109027819813235,
"density_atomic": 0.03122646590570816,
"volume": 128.0964682996293,
"volume_molar": 19.28537407398114,
"formula_full": "V2 I2",
"formula_reduced": "VI",
"formula_anonymous": "AB",
"energy": -19.8218194,
"energy_per_atom": -4.95545485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.0638194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0007384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.754000Z",
"spacegroup": 186
},
{
"id": "mp-6963",
"created_at": "2022-09-04T14:42:07.881737Z",
"structure_string": "Ba1 Sb2 Pd2\n1.0\n-2.387914 2.387914 5.615480\n2.387914 -2.387914 5.615480\n2.387914 2.387914 -5.615480\nBa Sb Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.636047 0.636047 0.000000 Sb\n0.363953 0.363953 0.000000 Sb\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pd"
],
"chemical_system": "Ba-Pd-Sb",
"density": 7.697016137123026,
"density_atomic": 0.039037838647102564,
"volume": 128.08086137143522,
"volume_molar": 15.426419516816592,
"formula_full": "Ba1 Sb2 Pd2",
"formula_reduced": "Ba(SbPd)2",
"formula_anonymous": "AB2C2",
"energy": -24.83737314,
"energy_per_atom": -4.967474628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.45337314,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.436000Z",
"spacegroup": 139
},
{
"id": "mp-1094575",
"created_at": "2022-09-04T14:42:51.168305Z",
"structure_string": "Li3 Mg3\n1.0\n1.599724 -7.948327 0.000000\n1.599724 7.948327 0.000000\n0.000000 0.000000 5.036497\nLi Mg\n3 3\ndirect\n0.998595 0.001405 0.000000 Li\n0.665244 0.334756 0.000000 Li\n0.111614 0.888386 0.500000 Li\n0.332475 0.667525 0.000000 Mg\n0.449959 0.550041 0.500000 Mg\n0.775446 0.224554 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2153053757547347,
"density_atomic": 0.04684593254630291,
"volume": 128.07942277741083,
"volume_molar": 12.855205207085303,
"formula_full": "Li3 Mg3",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -10.74039488,
"energy_per_atom": -1.7900658133333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.74039488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002061,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.420000Z",
"spacegroup": 38
}
]
}