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_molar&page=49",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=47",
"results": [
{
"id": "mp-1095913",
"created_at": "2022-09-04T14:39:10.270535Z",
"structure_string": "Li1 La1 In2\n1.0\n-5.967362 6.377621 9.012363\n5.967362 -6.377621 9.012363\n5.967362 6.377621 -9.012363\nLi La In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.237042 0.237042 In\n0.000000 0.762958 0.762958 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"In"
],
"chemical_system": "In-La-Li",
"density": 0.4544634958501487,
"density_atomic": 0.002915548247285223,
"volume": 1371.9546585190456,
"volume_molar": 206.55260174848564,
"formula_full": "Li1 La1 In2",
"formula_reduced": "LiLaIn2",
"formula_anonymous": "ABC2",
"energy": -6.43087594,
"energy_per_atom": -1.607718985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.43087594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.823000Z",
"spacegroup": 71
},
{
"id": "mp-1097362",
"created_at": "2022-09-04T14:43:10.539401Z",
"structure_string": "Y2 Al1 Cd1\n1.0\n-6.127755 6.282223 8.908956\n6.127755 -6.282223 8.908956\n6.127755 6.282223 -8.908956\nY Al Cd\n2 1 1\ndirect\n0.000000 0.236779 0.236779 Y\n0.000000 0.763221 0.763221 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Al",
"Cd"
],
"chemical_system": "Al-Cd-Y",
"density": 0.38396048582350745,
"density_atomic": 0.002915804786104413,
"volume": 1371.8339509772527,
"volume_molar": 206.53442880329888,
"formula_full": "Y2 Al1 Cd1",
"formula_reduced": "Y2AlCd",
"formula_anonymous": "ABC2",
"energy": -8.79656368,
"energy_per_atom": -2.19914092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.79656368,
"band_gap": 0.1453999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9984639,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.017000Z",
"spacegroup": 71
},
{
"id": "mp-1096168",
"created_at": "2022-09-04T14:41:12.378227Z",
"structure_string": "Ca2 Zn1 Ag1\n1.0\n-6.215381 6.282232 8.781065\n6.215381 -6.282232 8.781065\n6.215381 6.282232 -8.781065\nCa Zn Ag\n2 1 1\ndirect\n0.739756 0.000000 0.739756 Ca\n0.260244 0.000000 0.260244 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 0.3068482812232494,
"density_atomic": 0.002916561116900331,
"volume": 1371.4782031556153,
"volume_molar": 206.4808697168748,
"formula_full": "Ca2 Zn1 Ag1",
"formula_reduced": "Ca2ZnAg",
"formula_anonymous": "ABC2",
"energy": -3.56283827,
"energy_per_atom": -0.8907095675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.56283827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.346000Z",
"spacegroup": 71
},
{
"id": "mp-1097142",
"created_at": "2022-09-04T14:39:36.485796Z",
"structure_string": "Tl1 Cd1 Hg2\n1.0\n-6.169624 6.379022 8.707005\n6.169624 -6.379022 8.707005\n6.169624 6.379022 -8.707005\nTl Cd Hg\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.756312 0.000000 0.756312 Hg\n0.243688 0.000000 0.243688 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Tl",
"density": 0.8697940128454761,
"density_atomic": 0.0029182225488410115,
"volume": 1370.6973793306554,
"volume_molar": 206.36331394230803,
"formula_full": "Tl1 Cd1 Hg2",
"formula_reduced": "TlCdHg2",
"formula_anonymous": "ABC2",
"energy": -1.5850447,
"energy_per_atom": -0.396261175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.5850447,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.408000Z",
"spacegroup": 71
},
{
"id": "mp-1096494",
"created_at": "2022-09-04T14:46:01.702868Z",
"structure_string": "Li1 Sc2 Tl1\n1.0\n-6.137568 6.292675 8.858287\n6.137568 -6.292675 8.858287\n6.137568 6.292675 -8.858287\nLi Sc Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.262198 0.262198 Sc\n0.000000 0.737802 0.737802 Sc\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sc",
"Tl"
],
"chemical_system": "Li-Sc-Tl",
"density": 0.36552306870908524,
"density_atomic": 0.00292293147624481,
"volume": 1368.489146088001,
"volume_molar": 206.03085665685364,
"formula_full": "Li1 Sc2 Tl1",
"formula_reduced": "LiSc2Tl",
"formula_anonymous": "ABC2",
"energy": -8.6692347,
"energy_per_atom": -2.167308675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.6692347,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9984543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.661000Z",
"spacegroup": 71
},
{
"id": "mp-1096500",
"created_at": "2022-09-04T14:43:24.469524Z",
"structure_string": "Tl1 In1 Hg2\n1.0\n-6.140723 6.281131 8.838923\n6.140723 -6.281131 8.838923\n6.140723 6.281131 -8.838923\nTl In Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.246436 0.246436 Hg\n0.000000 0.753564 0.753564 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"Hg"
],
"chemical_system": "Hg-In-Tl",
"density": 0.8771923341176318,
"density_atomic": 0.002933210904544509,
"volume": 1363.6932802215767,
"volume_molar": 205.30882217401148,
"formula_full": "Tl1 In1 Hg2",
"formula_reduced": "TlInHg2",
"formula_anonymous": "ABC2",
"energy": -2.83333866,
"energy_per_atom": -0.708334665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.83333866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6775584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.254000Z",
"spacegroup": 71
},
{
"id": "mp-1095870",
"created_at": "2022-09-04T14:44:23.439965Z",
"structure_string": "Ca2 Hg1 Ge1\n1.0\n-6.068015 6.305159 8.908799\n6.068015 -6.305159 8.908799\n6.068015 6.305159 -8.908799\nCa Hg Ge\n2 1 1\ndirect\n0.000000 0.229776 0.229776 Ca\n0.000000 0.770224 0.770224 Ca\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Ge"
],
"chemical_system": "Ca-Ge-Hg",
"density": 0.4304042957749594,
"density_atomic": 0.002933851656558215,
"volume": 1363.3954501614148,
"volume_molar": 205.26398281039013,
"formula_full": "Ca2 Hg1 Ge1",
"formula_reduced": "Ca2HgGe",
"formula_anonymous": "ABC2",
"energy": -4.70424148,
"energy_per_atom": -1.17606037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70424148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.99912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.619000Z",
"spacegroup": 71
},
{
"id": "mp-1093576",
"created_at": "2022-09-04T14:39:10.314738Z",
"structure_string": "Y2 Cd1 In1\n1.0\n-6.149746 6.205991 8.930231\n6.149746 -6.205991 8.930231\n6.149746 6.205991 -8.930231\nY Cd In\n2 1 1\ndirect\n0.742116 0.000000 0.742116 Y\n0.257884 0.000000 0.257884 Y\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cd",
"In"
],
"chemical_system": "Cd-In-Y",
"density": 0.49335184642912117,
"density_atomic": 0.0029340599741495576,
"volume": 1363.2986493943113,
"volume_molar": 205.2494091142608,
"formula_full": "Y2 Cd1 In1",
"formula_reduced": "Y2CdIn",
"formula_anonymous": "ABC2",
"energy": -8.57440892,
"energy_per_atom": -2.14360223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.57440892,
"band_gap": 0.1166,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.9987295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.335000Z",
"spacegroup": 71
},
{
"id": "mp-1093652",
"created_at": "2022-09-04T14:43:20.996965Z",
"structure_string": "In2 Ga1 Sn1\n1.0\n-5.462623 6.570799 9.485063\n5.462623 -6.570799 9.485063\n5.462623 6.570799 -9.485063\nIn Ga Sn\n2 1 1\ndirect\n0.000000 0.250806 0.250806 In\n0.000000 0.749194 0.749194 In\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ga",
"Sn"
],
"chemical_system": "Ga-In-Sn",
"density": 0.5097737173787009,
"density_atomic": 0.002937246323323564,
"volume": 1361.8197317118113,
"volume_molar": 205.0267528528491,
"formula_full": "In2 Ga1 Sn1",
"formula_reduced": "In2GaSn",
"formula_anonymous": "ABC2",
"energy": -7.77724597,
"energy_per_atom": -1.9443114925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.77724597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7744403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.527000Z",
"spacegroup": 71
},
{
"id": "mp-1096121",
"created_at": "2022-09-04T14:45:14.248876Z",
"structure_string": "K1 Tl1 Hg2\n1.0\n-6.225479 6.437354 8.494041\n6.225479 -6.437354 8.494041\n6.225479 6.437354 -8.494041\nK Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Tl\n0.259780 0.000000 0.259780 Hg\n0.740220 0.000000 0.740220 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Tl",
"Hg"
],
"chemical_system": "Hg-K-Tl",
"density": 0.7861879628033146,
"density_atomic": 0.0029376867351524325,
"volume": 1361.6155705562137,
"volume_molar": 204.9960156724308,
"formula_full": "K1 Tl1 Hg2",
"formula_reduced": "KTlHg2",
"formula_anonymous": "ABC2",
"energy": -2.17041384,
"energy_per_atom": -0.54260346,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.17041384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1652586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.141000Z",
"spacegroup": 71
},
{
"id": "mp-1095812",
"created_at": "2022-09-04T14:43:12.160835Z",
"structure_string": "La1 Zn1 Hg2\n1.0\n-5.961317 6.364137 8.963696\n5.961317 -6.364137 8.963696\n5.961317 6.364137 -8.963696\nLa Zn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.235202 0.235202 Hg\n0.000000 0.764798 0.764798 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Zn",
"Hg"
],
"chemical_system": "Hg-La-Zn",
"density": 0.7391463410307186,
"density_atomic": 0.0029405674403362955,
"volume": 1360.281673914795,
"volume_molar": 204.79519283908292,
"formula_full": "La1 Zn1 Hg2",
"formula_reduced": "LaZnHg2",
"formula_anonymous": "ABC2",
"energy": -2.38838417,
"energy_per_atom": -0.5970960425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.38838417,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2517959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.391000Z",
"spacegroup": 71
},
{
"id": "mp-1096434",
"created_at": "2022-09-04T14:46:09.250081Z",
"structure_string": "Mg2 Tl1 In1\n1.0\n-6.183680 6.317083 8.705062\n6.183680 -6.317083 8.705062\n6.183680 6.317083 -8.705062\nMg Tl In\n2 1 1\ndirect\n0.754124 0.000000 0.754124 Mg\n0.245876 0.000000 0.245876 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Tl",
"In"
],
"chemical_system": "In-Mg-Tl",
"density": 0.4490334713170104,
"density_atomic": 0.002940793576659503,
"volume": 1360.1770732047326,
"volume_molar": 204.7794448340931,
"formula_full": "Mg2 Tl1 In1",
"formula_reduced": "Mg2TlIn",
"formula_anonymous": "ABC2",
"energy": -3.16656153,
"energy_per_atom": -0.7916403825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.16656153,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4873932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.574000Z",
"spacegroup": 71
}
]
}