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=-elements&page=10157",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10155",
"results": [
{
"id": "mp-1026546",
"created_at": "2022-09-04T14:44:16.269733Z",
"structure_string": "Ba1 Mg14 Cr1\n1.0\n6.587588 0.000000 -0.000000\n-3.293794 5.705018 0.000000\n-0.000000 -0.000000 10.524383\nBa Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.179304 0.839652 0.125000 Mg\n0.161978 0.830989 0.625000 Mg\n0.660348 0.320696 0.125000 Mg\n0.669011 0.338022 0.625000 Mg\n0.660348 0.839652 0.125000 Mg\n0.669011 0.830989 0.625000 Mg\n0.336175 0.163825 0.393297 Mg\n0.336175 0.163825 0.856703 Mg\n0.336175 0.672350 0.393297 Mg\n0.336175 0.672350 0.856703 Mg\n0.827650 0.163825 0.393297 Mg\n0.827650 0.163825 0.856703 Mg\n0.833333 0.666667 0.367742 Mg\n0.833333 0.666667 0.882258 Mg\n0.166667 0.333333 0.625000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cr"
],
"chemical_system": "Ba-Cr-Mg",
"density": 2.2233678547976807,
"density_atomic": 0.04045198983892495,
"volume": 395.5306046429387,
"volume_molar": 14.88713110029804,
"formula_full": "Ba1 Mg14 Cr1",
"formula_reduced": "BaMg14Cr",
"formula_anonymous": "ABC14",
"energy": -31.45758184,
"energy_per_atom": -1.966098865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.45758184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.885502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.623000Z",
"spacegroup": 187
},
{
"id": "mp-1016604",
"created_at": "2022-09-04T14:47:45.620199Z",
"structure_string": "Ba2 Mg12 Cr2\n1.0\n5.181036 0.000000 0.000000\n0.000000 6.869316 0.000000\n0.000000 0.000000 12.094539\nBa Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.328685 Ba\n0.000000 0.000000 0.828685 Ba\n0.000000 0.268095 0.080735 Mg\n0.000000 0.731905 0.080735 Mg\n0.000000 0.000000 0.334840 Mg\n0.500000 0.776883 0.432807 Mg\n0.500000 0.223117 0.432807 Mg\n0.500000 0.000000 0.166456 Mg\n0.000000 0.768095 0.580735 Mg\n0.000000 0.231905 0.580735 Mg\n0.000000 0.500000 0.834840 Mg\n0.500000 0.276883 0.932807 Mg\n0.500000 0.723117 0.932807 Mg\n0.500000 0.500000 0.666456 Mg\n0.500000 0.500000 0.142936 Cr\n0.500000 0.000000 0.642936 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cr"
],
"chemical_system": "Ba-Cr-Mg",
"density": 2.585847504156619,
"density_atomic": 0.03717068446463974,
"volume": 430.4467413082132,
"volume_molar": 16.20131791150854,
"formula_full": "Ba2 Mg12 Cr2",
"formula_reduced": "BaMg6Cr",
"formula_anonymous": "ABC6",
"energy": -37.99679107,
"energy_per_atom": -2.374799441875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.99679107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.88186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.200000Z",
"spacegroup": 38
},
{
"id": "mp-1016560",
"created_at": "2022-09-04T14:47:29.923773Z",
"structure_string": "Ba2 Mg12 Cr2\n1.0\n5.269123 0.000000 0.000000\n0.000000 6.725236 0.000000\n0.000000 0.000000 11.869150\nBa Mg Cr\n2 12 2\ndirect\n0.500000 0.000000 0.168107 Ba\n0.500000 0.500000 0.668107 Ba\n0.500000 0.245455 0.419365 Mg\n0.500000 0.754545 0.419365 Mg\n0.000000 0.723353 0.081165 Mg\n0.000000 0.276647 0.081165 Mg\n0.000000 0.000000 0.346838 Mg\n0.000000 0.500000 0.323271 Mg\n0.500000 0.745455 0.919365 Mg\n0.500000 0.254545 0.919365 Mg\n0.000000 0.223353 0.581165 Mg\n0.000000 0.776647 0.581165 Mg\n0.000000 0.500000 0.846838 Mg\n0.000000 0.000000 0.823271 Mg\n0.500000 0.500000 0.160719 Cr\n0.500000 0.000000 0.660719 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cr"
],
"chemical_system": "Ba-Cr-Mg",
"density": 2.646408298649232,
"density_atomic": 0.038041225430181715,
"volume": 420.59633513555747,
"volume_molar": 15.83056458329038,
"formula_full": "Ba2 Mg12 Cr2",
"formula_reduced": "BaMg6Cr",
"formula_anonymous": "ABC6",
"energy": -37.88958628,
"energy_per_atom": -2.3680991425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.88958628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6768422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.120000Z",
"spacegroup": 38
},
{
"id": "mp-1028411",
"created_at": "2022-09-04T14:46:12.514144Z",
"structure_string": "Ba1 Mg14 Co1\n1.0\n6.598683 0.233237 0.000000\n-3.097352 5.364770 0.000000\n0.000000 0.000000 10.531581\nBa Mg Co\n1 14 1\ndirect\n0.115817 0.807908 0.125000 Ba\n0.151585 0.325792 0.625000 Mg\n0.171810 0.835905 0.625000 Mg\n0.607032 0.314659 0.125000 Mg\n0.659402 0.324746 0.625000 Mg\n0.607032 0.792372 0.125000 Mg\n0.659402 0.834655 0.625000 Mg\n0.349009 0.181822 0.381029 Mg\n0.349009 0.181822 0.868971 Mg\n0.349009 0.667188 0.381029 Mg\n0.349009 0.667188 0.868971 Mg\n0.877650 0.188825 0.332952 Mg\n0.877650 0.188825 0.917048 Mg\n0.832321 0.666161 0.400111 Mg\n0.832321 0.666161 0.849889 Mg\n0.211942 0.355971 0.125000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Co"
],
"chemical_system": "Ba-Co-Mg",
"density": 2.3418974941521586,
"density_atomic": 0.0420576108978153,
"volume": 380.43054891715514,
"volume_molar": 14.318789468644837,
"formula_full": "Ba1 Mg14 Co1",
"formula_reduced": "BaMg14Co",
"formula_anonymous": "ABC14",
"energy": -29.37069764,
"energy_per_atom": -1.8356686025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.37069764,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0561611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.663000Z",
"spacegroup": 38
},
{
"id": "mp-1022221",
"created_at": "2022-09-04T14:47:18.778347Z",
"structure_string": "Ba1 Mg6 Co1\n1.0\n3.060286 -7.562128 0.000000\n3.060286 7.562128 0.000000\n0.000000 0.000000 4.484918\nBa Mg Co\n1 6 1\ndirect\n0.276256 0.723744 0.500000 Ba\n0.209293 0.294874 0.000000 Mg\n0.705126 0.790707 0.000000 Mg\n0.680659 0.319341 0.000000 Mg\n0.316295 0.161707 0.500000 Mg\n0.838293 0.683705 0.500000 Mg\n0.870304 0.129696 0.500000 Mg\n0.103773 0.896227 0.000000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Co"
],
"chemical_system": "Ba-Co-Mg",
"density": 2.736523498091634,
"density_atomic": 0.03853891153881322,
"volume": 207.58240647100422,
"volume_molar": 15.626130888349028,
"formula_full": "Ba1 Mg6 Co1",
"formula_reduced": "BaMg6Co",
"formula_anonymous": "ABC6",
"energy": -17.03929858,
"energy_per_atom": -2.1299123225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.03929858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1628926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.076000Z",
"spacegroup": 38
},
{
"id": "mp-1022077",
"created_at": "2022-09-04T14:44:20.454757Z",
"structure_string": "Ba2 Mg12 Co2\n1.0\n4.983740 0.000000 0.000000\n0.000000 5.949523 0.000000\n0.000000 0.000000 13.748807\nBa Mg Co\n2 12 2\ndirect\n0.500000 0.500000 0.202070 Ba\n0.500000 0.000000 0.702070 Ba\n0.500000 0.244640 0.445127 Mg\n0.500000 0.755360 0.445127 Mg\n0.000000 0.765338 0.075021 Mg\n0.000000 0.234662 0.075021 Mg\n0.000000 0.000000 0.289345 Mg\n0.000000 0.500000 0.373773 Mg\n0.500000 0.744640 0.945127 Mg\n0.500000 0.255360 0.945127 Mg\n0.000000 0.265338 0.575021 Mg\n0.000000 0.734662 0.575021 Mg\n0.000000 0.500000 0.789345 Mg\n0.000000 0.000000 0.873773 Mg\n0.500000 0.000000 0.094511 Co\n0.500000 0.500000 0.594511 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Co"
],
"chemical_system": "Ba-Co-Mg",
"density": 2.7868730071395555,
"density_atomic": 0.0392479919748386,
"volume": 407.664168150498,
"volume_molar": 15.343818771316299,
"formula_full": "Ba2 Mg12 Co2",
"formula_reduced": "BaMg6Co",
"formula_anonymous": "ABC6",
"energy": -33.96249799,
"energy_per_atom": -2.122656124375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.96249799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0083883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.386000Z",
"spacegroup": 38
},
{
"id": "mp-1028406",
"created_at": "2022-09-04T14:39:48.746698Z",
"structure_string": "Ba1 Mg14 Co1\n1.0\n6.481165 0.000000 -0.000000\n-3.240582 5.612853 0.000000\n0.000000 0.000000 10.434491\nBa Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Ba\n0.151078 0.825539 0.125000 Mg\n0.179806 0.839903 0.625000 Mg\n0.674461 0.348922 0.125000 Mg\n0.660097 0.320194 0.625000 Mg\n0.674461 0.825539 0.125000 Mg\n0.660097 0.839903 0.625000 Mg\n0.327565 0.172435 0.341916 Mg\n0.327565 0.172435 0.908084 Mg\n0.327565 0.655131 0.341916 Mg\n0.327565 0.655131 0.908084 Mg\n0.844869 0.172435 0.341916 Mg\n0.844869 0.172435 0.908084 Mg\n0.833333 0.666667 0.387738 Mg\n0.833333 0.666667 0.862262 Mg\n0.166667 0.333333 0.125000 Co\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Co"
],
"chemical_system": "Ba-Co-Mg",
"density": 2.347119765494094,
"density_atomic": 0.04215139649545583,
"volume": 379.58410231378446,
"volume_molar": 14.286930589949074,
"formula_full": "Ba1 Mg14 Co1",
"formula_reduced": "BaMg14Co",
"formula_anonymous": "ABC14",
"energy": -28.7671229,
"energy_per_atom": -1.79794518125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.7671229,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0822834,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.588000Z",
"spacegroup": 187
},
{
"id": "mp-1016549",
"created_at": "2022-09-04T14:40:00.118217Z",
"structure_string": "Ba2 Mg12 Cd2\n1.0\n5.170153 0.000000 0.000000\n0.000000 7.062717 0.000000\n0.000000 0.000000 12.116814\nBa Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.330852 Ba\n0.000000 0.000000 0.830852 Ba\n0.000000 0.257419 0.079675 Mg\n0.000000 0.742581 0.079675 Mg\n0.000000 0.500000 0.840335 Mg\n0.500000 0.277572 0.927827 Mg\n0.500000 0.722428 0.927827 Mg\n0.500000 0.500000 0.666894 Mg\n0.000000 0.757419 0.579675 Mg\n0.000000 0.242581 0.579675 Mg\n0.000000 0.000000 0.340335 Mg\n0.500000 0.777572 0.427827 Mg\n0.500000 0.222428 0.427827 Mg\n0.500000 0.000000 0.166894 Mg\n0.500000 0.500000 0.146915 Cd\n0.500000 0.000000 0.646915 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.9691805256784645,
"density_atomic": 0.03616232470506359,
"volume": 442.44943129332665,
"volume_molar": 16.65307971518976,
"formula_full": "Ba2 Mg12 Cd2",
"formula_reduced": "BaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.06493069,
"energy_per_atom": -1.504058168125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.06493069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.001000Z",
"spacegroup": 38
},
{
"id": "mp-1096276",
"created_at": "2022-09-04T14:39:23.878546Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-6.950984 7.205083 9.826013\n6.950984 -7.205083 9.826013\n6.950984 7.205083 -9.826013\nBa Mg Cd\n2 1 1\ndirect\n0.739462 0.000000 0.739462 Ba\n0.260538 0.000000 0.260538 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 0.3470236804678305,
"density_atomic": 0.002032064031458528,
"volume": 1968.441908362982,
"volume_molar": 296.3558562511225,
"formula_full": "Ba2 Mg1 Cd1",
"formula_reduced": "Ba2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.30231104,
"energy_per_atom": -0.32557776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.30231104,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.9998504,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.109000Z",
"spacegroup": 71
},
{
"id": "mp-1026503",
"created_at": "2022-09-04T14:42:41.366626Z",
"structure_string": "Ba1 Mg14 Cd1\n1.0\n6.642472 0.000000 0.000000\n-3.321236 5.752549 0.000000\n-0.000000 -0.000000 10.545151\nBa Mg Cd\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ba\n0.179310 0.839654 0.125000 Mg\n0.163143 0.831571 0.625000 Mg\n0.660346 0.320690 0.125000 Mg\n0.668429 0.336857 0.625000 Mg\n0.660346 0.839654 0.125000 Mg\n0.668429 0.831571 0.625000 Mg\n0.338985 0.161015 0.389869 Mg\n0.338985 0.161015 0.860131 Mg\n0.338985 0.677970 0.389869 Mg\n0.338985 0.677970 0.860131 Mg\n0.822030 0.161015 0.389869 Mg\n0.822030 0.161015 0.860131 Mg\n0.833333 0.666667 0.370931 Mg\n0.833333 0.666667 0.879069 Mg\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.431443240056605,
"density_atomic": 0.039707918391971575,
"volume": 402.9423008795896,
"volume_molar": 15.166095337844753,
"formula_full": "Ba1 Mg14 Cd1",
"formula_reduced": "BaMg14Cd",
"formula_anonymous": "ABC14",
"energy": -24.34280511,
"energy_per_atom": -1.521425319375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.34280511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.628000Z",
"spacegroup": 187
},
{
"id": "mp-1016582",
"created_at": "2022-09-04T14:43:17.482848Z",
"structure_string": "Ba2 Mg12 Cd2\n1.0\n5.207802 0.000000 0.000000\n0.000000 6.911415 0.000000\n0.000000 0.000000 12.206868\nBa Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.669116 Ba\n0.500000 0.000000 0.169116 Ba\n0.500000 0.740211 0.920885 Mg\n0.500000 0.259789 0.920885 Mg\n0.000000 0.225722 0.575997 Mg\n0.000000 0.774278 0.575997 Mg\n0.000000 0.500000 0.849532 Mg\n0.000000 0.000000 0.830915 Mg\n0.500000 0.240211 0.420885 Mg\n0.500000 0.759789 0.420885 Mg\n0.000000 0.725722 0.075997 Mg\n0.000000 0.274278 0.075997 Mg\n0.000000 0.000000 0.349532 Mg\n0.000000 0.500000 0.330915 Mg\n0.500000 0.000000 0.656669 Cd\n0.500000 0.500000 0.156669 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.990023220427594,
"density_atomic": 0.0364161726232781,
"volume": 439.3652283428713,
"volume_molar": 16.536995313314453,
"formula_full": "Ba2 Mg12 Cd2",
"formula_reduced": "BaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -23.93729436,
"energy_per_atom": -1.4960808975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.93729436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.980000Z",
"spacegroup": 38
},
{
"id": "mp-1026533",
"created_at": "2022-09-04T14:41:03.571227Z",
"structure_string": "Ba1 Mg14 Cd1\n1.0\n6.636238 -0.009940 0.000000\n-3.326727 5.762060 0.000000\n0.000000 0.000000 10.559499\nBa Mg Cd\n1 14 1\ndirect\n0.166651 0.333325 0.125000 Ba\n0.166663 0.333331 0.625000 Mg\n0.163270 0.831635 0.625000 Mg\n0.659113 0.316269 0.125000 Mg\n0.668109 0.336642 0.625000 Mg\n0.659113 0.842843 0.125000 Mg\n0.668109 0.831466 0.625000 Mg\n0.338532 0.159712 0.389455 Mg\n0.338532 0.159712 0.860545 Mg\n0.338532 0.678821 0.389455 Mg\n0.338532 0.678821 0.860545 Mg\n0.820604 0.160303 0.390024 Mg\n0.820604 0.160303 0.859976 Mg\n0.833805 0.666903 0.368765 Mg\n0.833805 0.666903 0.881235 Mg\n0.186023 0.843011 0.125000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.428508820602485,
"density_atomic": 0.03965999636513071,
"volume": 403.4291847305182,
"volume_molar": 15.184420857120148,
"formula_full": "Ba1 Mg14 Cd1",
"formula_reduced": "BaMg14Cd",
"formula_anonymous": "ABC14",
"energy": -24.4761199,
"energy_per_atom": -1.52975749375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.4761199,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.575000Z",
"spacegroup": 38
}
]
}