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=nelements&page=42",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=40",
"results": [
{
"id": "mp-78",
"created_at": "2022-09-04T14:44:12.306578Z",
"structure_string": "Ge2\n1.0\n-2.591030 2.591030 1.436914\n2.591030 -2.591030 1.436914\n2.591030 2.591030 -1.436914\nGe\n2\ndirect\n0.500000 0.500000 0.000000 Ge\n0.750000 0.250000 0.500000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.252004446617142,
"density_atomic": 0.05183156776250761,
"volume": 38.58652335511065,
"volume_molar": 11.61867375417519,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -8.78085444,
"energy_per_atom": -4.39042722,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.78085444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.053000Z",
"spacegroup": 141
},
{
"id": "mp-1056702",
"created_at": "2022-09-04T14:44:07.550735Z",
"structure_string": "Mg1\n1.0\n0.000000 2.252800 2.252800\n2.252800 0.000000 2.252800\n2.252800 2.252800 0.000000\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.765008555285139,
"density_atomic": 0.04373227717014831,
"volume": 22.866405883904,
"volume_molar": 13.770471490816211,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.60028005,
"energy_per_atom": -1.60028005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.60028005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007357,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.591000Z",
"spacegroup": 225
},
{
"id": "mp-1184804",
"created_at": "2022-09-04T14:43:59.573771Z",
"structure_string": "K8\n1.0\n4.535392 -6.424264 0.000000\n4.535392 6.424264 0.000000\n0.000000 0.000000 10.114030\nK\n8\ndirect\n0.745710 0.254290 0.500000 K\n0.254290 0.745710 0.500000 K\n0.763462 0.763462 0.263658 K\n0.263462 0.263462 0.236342 K\n0.754290 0.245710 0.000000 K\n0.245710 0.754290 0.000000 K\n0.736538 0.736538 0.763658 K\n0.236538 0.236538 0.736342 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8812609303512656,
"density_atomic": 0.013573678064514032,
"volume": 589.3759938888323,
"volume_molar": 44.3663149470431,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.74609609,
"energy_per_atom": -1.09326201125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.74609609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001974,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.010000Z",
"spacegroup": 64
},
{
"id": "mp-33",
"created_at": "2022-09-04T14:43:53.649143Z",
"structure_string": "Ru2\n1.0\n1.366465 -2.366787 0.000000\n1.366465 2.366787 0.000000\n0.000000 0.000000 4.313923\nRu\n2\ndirect\n0.333333 0.666667 0.750000 Ru\n0.666667 0.333333 0.250000 Ru\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ru"
],
"chemical_system": "Ru",
"density": 12.029325778163212,
"density_atomic": 0.07167536668549511,
"volume": 27.903589370889655,
"volume_molar": 8.401967145036867,
"formula_full": "Ru2",
"formula_reduced": "Ru",
"formula_anonymous": "A",
"energy": -18.54877931,
"energy_per_atom": -9.274389655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.54877931,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019915,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 194
},
{
"id": "mp-753304",
"created_at": "2022-09-04T14:43:33.462524Z",
"structure_string": "Hg1\n1.0\n0.000000 2.535410 2.535410\n2.535410 0.000000 2.535410\n2.535410 2.535410 0.000000\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.218420805720436,
"density_atomic": 0.030677884469927155,
"volume": 32.596771820438846,
"volume_molar": 19.63023482242842,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.29137629,
"energy_per_atom": -0.29137629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.29137629,
"band_gap": 0.3447,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.923000Z",
"spacegroup": 225
},
{
"id": "mp-1247180",
"created_at": "2022-09-04T14:43:24.987593Z",
"structure_string": "Mg10\n1.0\n3.421369 -0.013175 0.000664\n-0.013772 5.102642 -0.012034\n0.001858 -0.033979 14.595693\nMg\n10\ndirect\n0.518609 0.010102 0.168218 Mg\n0.018543 0.989977 0.331772 Mg\n0.018592 0.990607 0.668250 Mg\n0.518583 0.009373 0.831729 Mg\n0.018722 0.509226 0.850146 Mg\n0.518430 0.490758 0.649919 Mg\n0.518377 0.490287 0.350614 Mg\n0.518347 0.979160 0.500073 Mg\n0.018698 0.020733 0.999915 Mg\n0.018811 0.509792 0.149372 Mg\n",
"nsites": 10,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.5839150862266336,
"density_atomic": 0.039245256549848374,
"volume": 254.80786416310573,
"volume_molar": 15.344888247451822,
"formula_full": "Mg10",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -14.22901379,
"energy_per_atom": -1.422901379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.22901379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.732000Z",
"spacegroup": 59
},
{
"id": "mp-1072544",
"created_at": "2022-09-04T14:43:12.838375Z",
"structure_string": "Si6\n1.0\n-3.366008 3.366008 3.366008\n3.366008 -3.366008 3.366008\n3.366008 3.366008 -3.366008\nSi\n6\ndirect\n0.750000 0.250000 0.500000 Si\n0.750000 0.500000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.250000 0.500000 0.750000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250000 Si\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.8343283783801498,
"density_atomic": 0.03933198162213693,
"volume": 152.54761526236106,
"volume_molar": 15.311053528537713,
"formula_full": "Si6",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -31.21751653,
"energy_per_atom": -5.2029194216666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.21751653,
"band_gap": 0.1444,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.260000Z",
"spacegroup": 229
},
{
"id": "mp-1008728",
"created_at": "2022-09-04T14:43:12.610249Z",
"structure_string": "Ni1\n1.0\n-1.395106 1.395106 1.395106\n1.395106 -1.395106 1.395106\n1.395106 1.395106 -1.395106\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.973394366451735,
"density_atomic": 0.09207005214971037,
"volume": 10.861295031895404,
"volume_molar": 6.540824751796281,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -5.6845769,
"energy_per_atom": -5.6845769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.6845769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5380801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.370000Z",
"spacegroup": 229
},
{
"id": "mp-11446",
"created_at": "2022-09-04T14:43:06.138768Z",
"structure_string": "Tb1\n1.0\n-2.010000 2.010000 2.010000\n2.010000 -2.010000 2.010000\n2.010000 2.010000 -2.010000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.124452622043565,
"density_atomic": 0.030785898728431564,
"volume": 32.48240399999999,
"volume_molar": 19.561360911118697,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.48633589,
"energy_per_atom": -4.48633589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.48633589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.036963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.587000Z",
"spacegroup": 229
},
{
"id": "mp-1187739",
"created_at": "2022-09-04T14:42:59.920006Z",
"structure_string": "Y3\n1.0\n8.730412 -1.800983 0.000000\n8.730412 1.800983 0.000000\n8.358890 0.000000 3.097191\nY\n3\ndirect\n0.000000 0.000000 0.000000 Y\n0.221823 0.221823 0.221823 Y\n0.778177 0.778177 0.778177 Y\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Y"
],
"chemical_system": "Y",
"density": 4.547349702821745,
"density_atomic": 0.030802000098756506,
"volume": 97.39627265701851,
"volume_molar": 19.551135447996824,
"formula_full": "Y3",
"formula_reduced": "Y",
"formula_anonymous": "A",
"energy": -19.39941334,
"energy_per_atom": -6.466471113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.39941334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.857000Z",
"spacegroup": 166
},
{
"id": "mp-1186853",
"created_at": "2022-09-04T14:42:38.148736Z",
"structure_string": "Rb20\n1.0\n12.299084 0.000000 0.000000\n0.000000 12.299084 0.000000\n0.000000 0.000000 12.299084\nRb\n20\ndirect\n0.875000 0.702783 0.047217 Rb\n0.062768 0.062768 0.062768 Rb\n0.202783 0.452783 0.125000 Rb\n0.812768 0.312768 0.187232 Rb\n0.452783 0.125000 0.202783 Rb\n0.547217 0.625000 0.297217 Rb\n0.187232 0.812768 0.312768 Rb\n0.797217 0.952783 0.375000 Rb\n0.937232 0.562768 0.437232 Rb\n0.125000 0.202783 0.452783 Rb\n0.625000 0.297217 0.547217 Rb\n0.437232 0.937232 0.562768 Rb\n0.297217 0.547217 0.625000 Rb\n0.687232 0.687232 0.687232 Rb\n0.047217 0.875000 0.702783 Rb\n0.952783 0.375000 0.797217 Rb\n0.312768 0.187232 0.812768 Rb\n0.702783 0.047217 0.875000 Rb\n0.562768 0.437232 0.937232 Rb\n0.375000 0.797217 0.952783 Rb\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5256795155159333,
"density_atomic": 0.010750079913441882,
"volume": 1860.451286040398,
"volume_molar": 56.0194976082915,
"formula_full": "Rb20",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -19.46084984,
"energy_per_atom": -0.973042492,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.46084984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1822602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.866000Z",
"spacegroup": 213
},
{
"id": "mp-1008733",
"created_at": "2022-09-04T14:47:24.181157Z",
"structure_string": "Ge2\n1.0\n1.495562 -2.590389 0.000000\n1.495562 2.590389 0.000000\n0.000000 0.000000 5.003386\nGe\n2\ndirect\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.222881270134663,
"density_atomic": 0.051590125212650204,
"volume": 38.7671088557387,
"volume_molar": 11.67304931937505,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -8.58374841,
"energy_per_atom": -4.291874205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.58374841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.048000Z",
"spacegroup": 194
}
]
}