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=density_atomic&page=25",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=23",
"results": [
{
"id": "mp-1096623",
"created_at": "2022-09-04T14:43:09.630418Z",
"structure_string": "Ba1 Ca1 In2\n1.0\n-6.551808 6.671395 9.956290\n6.551808 -6.671395 9.956290\n6.551808 6.671395 -9.956290\nBa Ca In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.000000 0.243411 0.243411 In\n0.000000 0.756589 0.756589 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"In"
],
"chemical_system": "Ba-Ca-In",
"density": 0.3882861570947227,
"density_atomic": 0.0022978657127827066,
"volume": 1740.7457614901332,
"volume_molar": 262.0754000766742,
"formula_full": "Ba1 Ca1 In2",
"formula_reduced": "BaCaIn2",
"formula_anonymous": "ABC2",
"energy": -4.55423677,
"energy_per_atom": -1.1385591925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55423677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8405212,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.747000Z",
"spacegroup": 71
},
{
"id": "mp-1097603",
"created_at": "2022-09-04T14:47:56.378380Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Zn"
],
"chemical_system": "Ba-Mg-Zn",
"density": 0.34852488927103753,
"density_atomic": 0.0023041166537993733,
"volume": 1736.0232145382915,
"volume_molar": 261.3644040144317,
"formula_full": "Ba2 Mg1 Zn1",
"formula_reduced": "Ba2MgZn",
"formula_anonymous": "ABC2",
"energy": -1.29842723,
"energy_per_atom": -0.3246068075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.29842723,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9972678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.682000Z",
"spacegroup": 71
},
{
"id": "mp-1056027",
"created_at": "2022-09-04T14:41:05.189102Z",
"structure_string": "K1\n1.0\n10.140925 0.000000 0.000000\n0.000000 10.140925 0.000000\n0.000000 0.000000 4.220114\nK\n1\ndirect\n0.000000 0.000000 0.000000 K\n",
"nsites": 1,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.14959864075994236,
"density_atomic": 0.0023042026698664123,
"volume": 433.98960216376094,
"volume_molar": 261.35464726065686,
"formula_full": "K1",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -0.61416936,
"energy_per_atom": -0.61416936,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.61416936,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.92e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.210000Z",
"spacegroup": 123
},
{
"id": "mp-1093633",
"created_at": "2022-09-04T14:48:19.026876Z",
"structure_string": "K1 Na2 As1\n1.0\n-6.629914 6.744021 9.702408\n6.629914 -6.744021 9.702408\n6.629914 6.744021 -9.702408\nK Na As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.292662 0.292662 Na\n0.000000 0.707338 0.707338 Na\n0.000000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Na",
"As"
],
"chemical_system": "As-K-Na",
"density": 0.15310917716948275,
"density_atomic": 0.0023051206308709,
"volume": 1735.2671033484073,
"volume_molar": 261.2505688140394,
"formula_full": "K1 Na2 As1",
"formula_reduced": "KNa2As",
"formula_anonymous": "ABC2",
"energy": -5.21104281,
"energy_per_atom": -1.3027607025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.21104281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0138043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.189000Z",
"spacegroup": 71
},
{
"id": "mp-1095890",
"created_at": "2022-09-04T14:40:31.543399Z",
"structure_string": "Ca1 Mg1 In2\n1.0\n-6.002995 7.022277 10.284828\n6.002995 -7.022277 10.284828\n6.002995 7.022277 -10.284828\nCa Mg In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.000000 0.234992 0.234992 In\n0.000000 0.765008 0.765008 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"In"
],
"chemical_system": "Ca-In-Mg",
"density": 0.28152795844769163,
"density_atomic": 0.0023065189586160407,
"volume": 1734.215097195682,
"volume_molar": 261.09218558573696,
"formula_full": "Ca1 Mg1 In2",
"formula_reduced": "CaMgIn2",
"formula_anonymous": "ABC2",
"energy": -3.93879999,
"energy_per_atom": -0.9846999975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.93879999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9979152,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.027000Z",
"spacegroup": 71
},
{
"id": "mp-1095738",
"created_at": "2022-09-04T14:47:59.402440Z",
"structure_string": "Ba1 Cd1 Hg2\n1.0\n-6.731160 6.764612 9.518818\n6.731160 -6.764612 9.518818\n6.731160 6.764612 -9.518818\nBa Cd Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Cd\n0.770506 0.000000 0.770506 Hg\n0.229494 0.000000 0.229494 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 0.623447027684602,
"density_atomic": 0.0023071943061447127,
"volume": 1733.707468567717,
"volume_molar": 261.01576030945165,
"formula_full": "Ba1 Cd1 Hg2",
"formula_reduced": "BaCdHg2",
"formula_anonymous": "ABC2",
"energy": -0.98402507,
"energy_per_atom": -0.2460062675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.98402507,
"band_gap": 0.0227999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0138867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.721000Z",
"spacegroup": 71
},
{
"id": "mp-1206950",
"created_at": "2022-09-04T14:47:17.199789Z",
"structure_string": "Tb2 As3 Au1\n1.0\n8.381022 0.000000 0.000000\n0.000000 8.381022 0.000000\n0.000000 0.000000 37.018137\nTb As Au\n2 3 1\ndirect\n0.500000 0.500000 0.243239 Tb\n0.500000 0.500000 0.756761 Tb\n0.500000 0.500000 0.691128 As\n0.500000 0.500000 0.308872 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"As",
"Au"
],
"chemical_system": "As-Au-Tb",
"density": 0.4723097935982378,
"density_atomic": 0.002307505424681736,
"volume": 2600.2105719112465,
"volume_molar": 260.9805678281605,
"formula_full": "Tb2 As3 Au1",
"formula_reduced": "Tb2As3Au",
"formula_anonymous": "AB2C3",
"energy": -12.42981442,
"energy_per_atom": -2.0716357366666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.42981442,
"band_gap": 0.1272000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.955376,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.372000Z",
"spacegroup": 123
},
{
"id": "mp-1098698",
"created_at": "2022-09-04T14:47:56.410844Z",
"structure_string": "Y2 Ni1 Pt1\n1.0\n-5.010501 7.857738 11.004271\n5.010501 -7.857738 11.004271\n5.010501 7.857738 -11.004271\nY Ni Pt\n2 1 1\ndirect\n0.000000 0.241746 0.241746 Y\n0.000000 0.758254 0.758254 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Pt"
],
"chemical_system": "Ni-Pt-Y",
"density": 0.41354197698619133,
"density_atomic": 0.002308128723770045,
"volume": 1733.0055983474313,
"volume_molar": 260.91009127790636,
"formula_full": "Y2 Ni1 Pt1",
"formula_reduced": "Y2NiPt",
"formula_anonymous": "ABC2",
"energy": -17.7870698,
"energy_per_atom": -4.44676745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.7870698,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4908139,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.127000Z",
"spacegroup": 71
},
{
"id": "mp-1206227",
"created_at": "2022-09-04T14:39:30.711538Z",
"structure_string": "Li1 Y3 Se6\n1.0\n-5.185292 -8.981189 0.000000\n-5.229281 9.006586 0.000000\n0.000000 0.000000 -46.243768\nLi Y Se\n1 3 6\ndirect\n-0.000000 -0.000000 -0.000000 Li\n-0.000000 -0.000000 0.500000 Y\n0.500000 0.500000 -0.000000 Y\n-0.000000 0.500000 -0.000000 Y\n-0.000000 -0.000000 0.768948 Se\n-0.000000 -0.000000 0.231052 Se\n0.742371 0.757790 0.000000 Se\n0.257629 0.242210 -0.000000 Se\n0.984582 0.242210 -0.000000 Se\n0.015418 0.757790 0.000000 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Y",
"Se"
],
"chemical_system": "Li-Se-Y",
"density": 0.2865321949371337,
"density_atomic": 0.002308662543603564,
"volume": 4331.512211564328,
"volume_molar": 260.84976241699286,
"formula_full": "Li1 Y3 Se6",
"formula_reduced": "Li(YSe2)3",
"formula_anonymous": "AB3C6",
"energy": -36.71747404,
"energy_per_atom": -3.671747404,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.88547404,
"band_gap": 0.0735999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.8234006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.281000Z",
"spacegroup": 65
},
{
"id": "mp-1096465",
"created_at": "2022-09-04T14:47:15.663126Z",
"structure_string": "Sr2 Cd1 Ag1\n1.0\n-6.700585 6.815479 9.457945\n6.700585 -6.815479 9.457945\n6.700585 6.815479 -9.457945\nSr Cd Ag\n2 1 1\ndirect\n0.766492 0.000000 0.766492 Sr\n0.233508 0.000000 0.233508 Sr\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Sr",
"density": 0.38014631753407924,
"density_atomic": 0.00231522983903387,
"volume": 1727.690241617296,
"volume_molar": 260.10984561744414,
"formula_full": "Sr2 Cd1 Ag1",
"formula_reduced": "Sr2CdAg",
"formula_anonymous": "ABC2",
"energy": -3.27183168,
"energy_per_atom": -0.81795792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.27183168,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.253000Z",
"spacegroup": 71
},
{
"id": "mp-1096037",
"created_at": "2022-09-04T14:43:09.257306Z",
"structure_string": "Ba1 Sr1 In2\n1.0\n-6.694373 6.768286 9.510016\n6.694373 -6.768286 9.510016\n6.694373 6.768286 -9.510016\nBa Sr In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Sr\n0.000000 0.249711 0.249711 In\n0.000000 0.750289 0.750289 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"In"
],
"chemical_system": "Ba-In-Sr",
"density": 0.43795797608788983,
"density_atomic": 0.002320759535554503,
"volume": 1723.5736571235386,
"volume_molar": 259.49007933564815,
"formula_full": "Ba1 Sr1 In2",
"formula_reduced": "BaSrIn2",
"formula_anonymous": "ABC2",
"energy": -4.39036586,
"energy_per_atom": -1.097591465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.39036586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1216715,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 71
},
{
"id": "mp-1096204",
"created_at": "2022-09-04T14:41:51.209315Z",
"structure_string": "Na1 Sr1 Pb2\n1.0\n-6.362609 6.946207 9.744699\n6.362609 -6.946207 9.744699\n6.362609 6.946207 -9.744699\nNa Sr Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.247288 0.247288 Pb\n0.000000 0.752712 0.752712 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sr",
"Pb"
],
"chemical_system": "Na-Pb-Sr",
"density": 0.5060636053145533,
"density_atomic": 0.002321927281429428,
"volume": 1722.7068358219703,
"volume_molar": 259.3595763383529,
"formula_full": "Na1 Sr1 Pb2",
"formula_reduced": "NaSrPb2",
"formula_anonymous": "ABC2",
"energy": -6.12316045,
"energy_per_atom": -1.5307901125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.12316045,
"band_gap": 0.1356000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0003379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.114000Z",
"spacegroup": 71
}
]
}