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{
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"results": [
{
"id": "mp-1093753",
"created_at": "2022-09-04T14:42:15.544410Z",
"structure_string": "Mg1 Cd1 Hg2\n1.0\n-5.951663 6.762131 8.415275\n5.951663 -6.762131 8.415275\n5.951663 6.762131 -8.415275\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n0.248579 0.000000 0.248579 Hg\n0.751421 0.000000 0.751421 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Hg-Mg",
"density": 0.6593214361824085,
"density_atomic": 0.0029526350790100315,
"volume": 1354.7221017712532,
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"formula_full": "Mg1 Cd1 Hg2",
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"spacegroup": 71
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{
"id": "mp-1097341",
"created_at": "2022-09-04T14:40:36.829506Z",
"structure_string": "La1 Cd2 Ag1\n1.0\n-5.942965 6.377883 8.961954\n5.942965 -6.377883 8.961954\n5.942965 6.377883 -8.961954\nLa Cd Ag\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.231785 0.231785 Cd\n0.000000 0.768215 0.768215 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Ag-Cd-La",
"density": 0.5763369767867764,
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"volume": 1358.758964313548,
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"formula_full": "La1 Cd2 Ag1",
"formula_reduced": "LaCd2Ag",
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"energy_uncorrected": -4.0535213,
"band_gap": 0.0950999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.597000Z",
"spacegroup": 71
},
{
"id": "mp-1096510",
"created_at": "2022-09-04T14:40:22.315184Z",
"structure_string": "Y2 Sn1 Hg1\n1.0\n-6.024798 6.319706 8.921769\n6.024798 -6.319706 8.921769\n6.024798 6.319706 -8.921769\nY Sn Hg\n2 1 1\ndirect\n0.000000 0.233193 0.233193 Y\n0.000000 0.766807 0.766807 Y\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sn",
"Hg"
],
"chemical_system": "Hg-Sn-Y",
"density": 0.607509048963736,
"density_atomic": 0.002943809213983619,
"volume": 1358.7837081966068,
"volume_molar": 204.5696688288683,
"formula_full": "Y2 Sn1 Hg1",
"formula_reduced": "Y2SnHg",
"formula_anonymous": "ABC2",
"energy": -10.52790831,
"energy_per_atom": -2.6319770775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.52790831,
"band_gap": 0.1323000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.738000Z",
"spacegroup": 71
},
{
"id": "mp-1093814",
"created_at": "2022-09-04T14:44:10.014289Z",
"structure_string": "Na1 Mg1 In2\n1.0\n-6.137566 6.288779 8.803244\n6.137566 -6.288779 8.803244\n6.137566 6.288779 -8.803244\nNa Mg In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Mg\n0.000000 0.259912 0.259912 In\n0.000000 0.740088 0.740088 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"In"
],
"chemical_system": "In-Mg-Na",
"density": 0.3383413442844207,
"density_atomic": 0.002943030427727461,
"volume": 1359.1432702544994,
"volume_molar": 204.62380216198292,
"formula_full": "Na1 Mg1 In2",
"formula_reduced": "NaMgIn2",
"formula_anonymous": "ABC2",
"energy": -3.91853416,
"energy_per_atom": -0.97963354,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -3.91853416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9992059,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.478000Z",
"spacegroup": 71
},
{
"id": "mp-1093587",
"created_at": "2022-09-04T14:41:21.143738Z",
"structure_string": "La2 Hg1 Au1\n1.0\n-5.698566 6.530020 9.132342\n5.698566 -6.530020 9.132342\n5.698566 6.530020 -9.132342\nLa Hg Au\n2 1 1\ndirect\n0.000000 0.237304 0.237304 La\n0.000000 0.762696 0.762696 La\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Hg",
"Au"
],
"chemical_system": "Au-Hg-La",
"density": 0.8250248094271113,
"density_atomic": 0.0029426440972476326,
"volume": 1359.3217078957503,
"volume_molar": 204.6506665767953,
"formula_full": "La2 Hg1 Au1",
"formula_reduced": "La2HgAu",
"formula_anonymous": "ABC2",
"energy": -7.54235148,
"energy_per_atom": -1.88558787,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.54235148,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0048701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.912000Z",
"spacegroup": 71
},
{
"id": "mp-1098699",
"created_at": "2022-09-04T14:41:12.766870Z",
"structure_string": "La2 Mg1 Hg1\n1.0\n-6.203273 6.381342 8.585471\n6.203273 -6.381342 8.585471\n6.203273 6.381342 -8.585471\nLa Mg Hg\n2 1 1\ndirect\n0.742616 0.000000 0.742616 La\n0.257384 0.000000 0.257384 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"Hg"
],
"chemical_system": "Hg-La-Mg",
"density": 0.6140533178237924,
"density_atomic": 0.002942408450839323,
"volume": 1359.4305708505556,
"volume_molar": 204.66705627772996,
"formula_full": "La2 Mg1 Hg1",
"formula_reduced": "La2MgHg",
"formula_anonymous": "ABC2",
"energy": -3.30995135,
"energy_per_atom": -0.8274878375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.30995135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9284836,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.215000Z",
"spacegroup": 71
},
{
"id": "mp-1095801",
"created_at": "2022-09-04T14:43:58.507406Z",
"structure_string": "Y2 Zn1 Hg1\n1.0\n-6.030603 6.285285 8.966578\n6.030603 -6.285285 8.966578\n6.030603 6.285285 -8.966578\nY Zn Hg\n2 1 1\ndirect\n0.000000 0.251112 0.251112 Y\n0.000000 0.748888 0.748888 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Hg"
],
"chemical_system": "Hg-Y-Zn",
"density": 0.5420937865399165,
"density_atomic": 0.002942304084865853,
"volume": 1359.4787909837573,
"volume_molar": 204.67431598847014,
"formula_full": "Y2 Zn1 Hg1",
"formula_reduced": "Y2ZnHg",
"formula_anonymous": "ABC2",
"energy": -6.81864256,
"energy_per_atom": -1.70466064,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -6.81864256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6126402,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.675000Z",
"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,
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"decomposes_to": null,
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"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
},
{
"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,
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"energy_uncorrected": -2.38838417,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.2517959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.391000Z",
"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": [
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"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,
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"band_gap": 0.0,
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"total_magnetization": 0.1652586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.141000Z",
"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,
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"elements": [
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"Ga",
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],
"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,
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"energy_above_hull": null,
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"energy_uncorrected": -7.77724597,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.527000Z",
"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,
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"elements": [
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"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,
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"energy_above_hull": null,
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"energy_uncorrected": -8.57440892,
"band_gap": 0.1166,
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"is_magnetic": false,
"total_magnetization": 0.9987295,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.335000Z",
"spacegroup": 71
}
]
}