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=-chemical_system&page=1748",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1746",
"results": [
{
"id": "mp-1094509",
"created_at": "2022-09-04T14:40:42.400214Z",
"structure_string": "Mg3 Ti3\n1.0\n1.484008 5.681174 0.000000\n-1.484008 5.681174 0.000000\n0.000000 1.888135 6.952837\nMg Ti\n3 3\ndirect\n0.999973 0.999973 0.005983 Mg\n0.941858 0.941858 0.605467 Mg\n0.671814 0.671814 0.661548 Mg\n0.624022 0.624022 0.265707 Ti\n0.322418 0.322418 0.324576 Ti\n0.273248 0.273248 0.970052 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.066710046594185,
"density_atomic": 0.05117818427389719,
"volume": 117.23745351904223,
"volume_molar": 11.767007457260494,
"formula_full": "Mg3 Ti3",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -27.817765300000005,
"energy_per_atom": -4.636294216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.817765300000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.35e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.364000Z",
"spacegroup": 8
},
{
"id": "mp-1094266",
"created_at": "2022-09-04T14:41:51.985606Z",
"structure_string": "Mg3 Ti1\n1.0\n-2.200970 2.200970 4.377573\n2.200970 -2.200970 4.377573\n2.200970 2.200970 -4.377573\nMg Ti\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.364447523652572,
"density_atomic": 0.047156151784172894,
"volume": 84.82456368168972,
"volume_molar": 12.770636559917984,
"formula_full": "Mg3 Ti1",
"formula_reduced": "Mg3Ti",
"formula_anonymous": "AB3",
"energy": -11.80234197,
"energy_per_atom": -2.9505854925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.80234197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0241105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.165000Z",
"spacegroup": 139
},
{
"id": "mp-1094329",
"created_at": "2022-09-04T14:40:27.854749Z",
"structure_string": "Mg2 Ti4\n1.0\n5.112552 -2.564726 0.000000\n5.112552 2.564726 0.000000\n3.825950 0.000000 4.251837\nMg Ti\n2 4\ndirect\n0.166471 0.166471 0.166471 Mg\n0.833529 0.833529 0.833529 Mg\n0.334729 0.000000 0.665271 Ti\n0.665271 0.334729 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.665271 0.334729 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.575330112107776,
"density_atomic": 0.053810364646540654,
"volume": 111.50268241837172,
"volume_molar": 11.191414144016862,
"formula_full": "Mg2 Ti4",
"formula_reduced": "MgTi2",
"formula_anonymous": "AB2",
"energy": -33.44588316,
"energy_per_atom": -5.57431386,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.44588316,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.488000Z",
"spacegroup": 155
},
{
"id": "mp-1094865",
"created_at": "2022-09-04T14:46:04.260338Z",
"structure_string": "Mg1 Ti3\n1.0\n1.479111 -2.561895 0.000000\n1.479111 2.561895 0.000000\n0.000000 0.000000 9.724260\nMg Ti\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.767346 Ti\n0.000000 0.000000 0.232654 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.7832641255842177,
"density_atomic": 0.05427643825569048,
"volume": 73.69680341138873,
"volume_molar": 11.095313092635779,
"formula_full": "Mg1 Ti3",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy": -24.93378117,
"energy_per_atom": -6.2334452925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.93378117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.666000Z",
"spacegroup": 187
},
{
"id": "mp-1094328",
"created_at": "2022-09-04T14:47:08.821476Z",
"structure_string": "Mg1 Ti3\n1.0\n0.000000 3.329896 3.329896\n3.329896 0.000000 3.329896\n3.329896 3.329896 0.000000\nMg Ti\n1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.775663731612014,
"density_atomic": 0.054167399526049174,
"volume": 73.84515474250144,
"volume_molar": 11.11764790758313,
"formula_full": "Mg1 Ti3",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy": -24.40378976,
"energy_per_atom": -6.10094744,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.40378976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4286249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.710000Z",
"spacegroup": 225
},
{
"id": "mp-1094726",
"created_at": "2022-09-04T14:47:25.633390Z",
"structure_string": "Mg1 Ti1\n1.0\n3.355945 0.000000 0.000000\n0.000000 3.355945 0.000000\n0.000000 0.000000 3.355945\nMg Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.1708327415151842,
"density_atomic": 0.05291581528132802,
"volume": 37.79588369501554,
"volume_molar": 11.380606587998626,
"formula_full": "Mg1 Ti1",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -8.97302044,
"energy_per_atom": -4.48651022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.97302044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.603000Z",
"spacegroup": 221
},
{
"id": "mp-1094379",
"created_at": "2022-09-04T14:47:22.549577Z",
"structure_string": "Mg8 Ti6\n1.0\n4.031748 -6.983192 0.000000\n4.031748 6.983192 0.000000\n0.000000 0.000000 4.953692\nMg Ti\n8 6\ndirect\n0.196320 0.248980 0.750000 Mg\n0.751020 0.947340 0.750000 Mg\n0.947340 0.196320 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n0.052660 0.803680 0.750000 Mg\n0.248980 0.052660 0.250000 Mg\n0.803680 0.751020 0.250000 Mg\n0.378620 0.487649 0.250000 Ti\n0.512351 0.890971 0.250000 Ti\n0.890971 0.378620 0.750000 Ti\n0.109029 0.621380 0.250000 Ti\n0.487649 0.109029 0.750000 Ti\n0.621380 0.512351 0.750000 Ti\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.8672600939994983,
"density_atomic": 0.050190517941932196,
"volume": 278.9371493674815,
"volume_molar": 11.998562690600847,
"formula_full": "Mg8 Ti6",
"formula_reduced": "Mg4Ti3",
"formula_anonymous": "A3B4",
"energy": -57.72070899999999,
"energy_per_atom": -4.122907785714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.72070899999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3266783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.273000Z",
"spacegroup": 176
},
{
"id": "mp-1094337",
"created_at": "2022-09-04T14:42:04.761964Z",
"structure_string": "Mg4 Ti4\n1.0\n4.902376 0.000000 0.000000\n0.000000 5.247952 0.000000\n0.000000 0.000000 6.057320\nMg Ti\n4 4\ndirect\n0.250000 0.083745 0.874808 Mg\n0.250000 0.583745 0.625192 Mg\n0.750000 0.416255 0.374808 Mg\n0.750000 0.916255 0.125192 Mg\n0.250000 0.084638 0.374301 Ti\n0.250000 0.584638 0.125699 Ti\n0.750000 0.415362 0.874301 Ti\n0.750000 0.915362 0.625699 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.0761027654725925,
"density_atomic": 0.0513349328058055,
"volume": 155.83930011680613,
"volume_molar": 11.731077515541138,
"formula_full": "Mg4 Ti4",
"formula_reduced": "MgTi",
"formula_anonymous": "AB",
"energy": -35.9656647,
"energy_per_atom": -4.4957080875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.9656647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.586929,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.713000Z",
"spacegroup": 62
},
{
"id": "mp-977352",
"created_at": "2022-09-04T14:44:24.551253Z",
"structure_string": "Th1 Mg1 Zn2\n1.0\n0.000000 3.514040 3.514040\n3.514040 0.000000 3.514040\n3.514040 3.514040 0.000000\nTh Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Mg",
"Zn"
],
"chemical_system": "Mg-Th-Zn",
"density": 7.407824244389414,
"density_atomic": 0.04609033805256168,
"volume": 86.78608508877453,
"volume_molar": 13.065950510348433,
"formula_full": "Th1 Mg1 Zn2",
"formula_reduced": "ThMgZn2",
"formula_anonymous": "ABC2",
"energy": -12.41036439,
"energy_per_atom": -3.1025910975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.41036439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.82e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.599000Z",
"spacegroup": 225
},
{
"id": "mp-570442",
"created_at": "2022-09-04T14:43:41.662169Z",
"structure_string": "Th6 Mg23\n1.0\n0.000000 7.153707 7.153707\n7.153707 0.000000 7.153707\n7.153707 7.153707 0.000000\nTh Mg\n6 23\ndirect\n0.183636 0.816364 0.183636 Th\n0.183636 0.816364 0.816364 Th\n0.183636 0.183636 0.816364 Th\n0.816364 0.183636 0.183636 Th\n0.816364 0.816364 0.183636 Th\n0.816364 0.183636 0.816364 Th\n0.619797 0.619797 0.619797 Mg\n0.169999 0.490003 0.169999 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.830001 0.830001 0.830001 Mg\n0.830001 0.830001 0.509997 Mg\n0.169999 0.169999 0.490003 Mg\n0.619797 0.619797 0.140608 Mg\n0.380203 0.859392 0.380203 Mg\n0.500000 0.500000 0.000000 Mg\n0.140608 0.619797 0.619797 Mg\n0.859392 0.380203 0.380203 Mg\n0.830001 0.509997 0.830001 Mg\n0.169999 0.169999 0.169999 Mg\n0.490003 0.169999 0.169999 Mg\n0.500000 0.000000 0.500000 Mg\n0.619797 0.140608 0.619797 Mg\n0.380203 0.380203 0.380203 Mg\n0.380203 0.380203 0.859392 Mg\n0.500000 0.000000 0.000000 Mg\n0.509997 0.830001 0.830001 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Th",
"Mg"
],
"chemical_system": "Mg-Th",
"density": 4.425242703551597,
"density_atomic": 0.03960723789715519,
"volume": 732.1894062722041,
"volume_molar": 15.204647129489794,
"formula_full": "Th6 Mg23",
"formula_reduced": "Th6Mg23",
"formula_anonymous": "A6B23",
"energy": -81.14870076,
"energy_per_atom": -2.798231060689655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.14870076,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081993,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.670000Z",
"spacegroup": 225
},
{
"id": "mp-570571",
"created_at": "2022-09-04T14:44:10.255382Z",
"structure_string": "Th8 Mg16\n1.0\n3.037490 -5.261088 0.000000\n3.037490 5.261088 0.000000\n0.000000 0.000000 19.594166\nTh Mg\n8 16\ndirect\n0.333333 0.666667 0.843522 Th\n0.000000 0.000000 0.091891 Th\n0.000000 0.000000 0.908109 Th\n0.666667 0.333333 0.156478 Th\n0.000000 0.000000 0.591891 Th\n0.666667 0.333333 0.343522 Th\n0.000000 0.000000 0.408109 Th\n0.333333 0.666667 0.656478 Th\n0.500000 0.500000 0.500000 Mg\n0.838601 0.161399 0.750000 Mg\n0.666667 0.333333 0.873844 Mg\n0.161399 0.322798 0.250000 Mg\n0.322798 0.161399 0.750000 Mg\n0.838601 0.677202 0.750000 Mg\n0.500000 0.000000 0.500000 Mg\n0.677202 0.838601 0.250000 Mg\n0.500000 0.500000 0.000000 Mg\n0.161399 0.838601 0.250000 Mg\n0.333333 0.666667 0.373844 Mg\n0.000000 0.500000 0.000000 Mg\n0.666667 0.333333 0.626156 Mg\n0.000000 0.500000 0.500000 Mg\n0.333333 0.666667 0.126156 Mg\n0.500000 0.000000 0.000000 Mg\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Th",
"Mg"
],
"chemical_system": "Mg-Th",
"density": 5.953247349559461,
"density_atomic": 0.03832340070036483,
"volume": 626.2492253139613,
"volume_molar": 15.714004107006792,
"formula_full": "Th8 Mg16",
"formula_reduced": "ThMg2",
"formula_anonymous": "AB2",
"energy": -84.41574113,
"energy_per_atom": -3.5173225470833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.41574113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1700924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.644000Z",
"spacegroup": 194
},
{
"id": "mp-978964",
"created_at": "2022-09-04T14:48:02.232536Z",
"structure_string": "Th3 Mg1\n1.0\n4.964193 0.000000 0.000000\n0.000000 4.964193 0.000000\n0.000000 0.000000 4.964193\nTh Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Th\n0.500000 0.000000 0.500000 Th\n0.000000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Mg"
],
"chemical_system": "Mg-Th",
"density": 9.778863649581654,
"density_atomic": 0.032697460048733876,
"volume": 122.33366120910328,
"volume_molar": 18.417763187184296,
"formula_full": "Th3 Mg1",
"formula_reduced": "Th3Mg",
"formula_anonymous": "AB3",
"energy": -23.57632021,
"energy_per_atom": -5.8940800525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.57632021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.162000Z",
"spacegroup": 221
}
]
}