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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=26",
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"results": [
{
"id": "mp-1094477",
"created_at": "2022-09-04T14:46:34.076379Z",
"structure_string": "Mg1 Zn1\n1.0\n4.503313 -1.582605 0.000000\n4.503313 1.582605 0.000000\n3.947136 0.000000 2.684135\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.8937700512121878,
"density_atomic": 0.052274631258389145,
"volume": 38.25947599925032,
"volume_molar": 11.520197493566355,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.87920174,
"energy_per_atom": -1.43960087,
"energy_above_hull": null,
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"energy_uncorrected": -2.87920174,
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"updated_at": "2021-11-28T01:37:31.431000Z",
"spacegroup": 166
},
{
"id": "mp-1185042",
"created_at": "2022-09-04T14:41:07.168883Z",
"structure_string": "K1 Hg3\n1.0\n-2.542192 2.542192 4.894626\n2.542192 -2.542192 4.894626\n2.542192 2.542192 -4.894626\nK Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Hg\n0.250000 0.750000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-K",
"density": 8.410497537707924,
"density_atomic": 0.031612860271736834,
"volume": 126.53078416875049,
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"formula_full": "K1 Hg3",
"formula_reduced": "KHg3",
"formula_anonymous": "AB3",
"energy": -2.88190352,
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"energy_above_hull": null,
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"energy_uncorrected": -2.88190352,
"band_gap": 0.0,
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"total_magnetization": 0.0089341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.991000Z",
"spacegroup": 139
},
{
"id": "mp-1095838",
"created_at": "2022-09-04T14:47:15.977204Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n-6.369666 6.538755 9.236986\n6.369666 -6.538755 9.236986\n6.369666 6.538755 -9.236986\nNa Tl Hg\n2 1 1\ndirect\n0.000000 0.249656 0.249656 Na\n0.000000 0.750344 0.750344 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 0.48660685236228846,
"density_atomic": 0.002599309471098079,
"volume": 1538.870243992224,
"volume_molar": 231.68233051741794,
"formula_full": "Na2 Tl1 Hg1",
"formula_reduced": "Na2TlHg",
"formula_anonymous": "ABC2",
"energy": -2.88531033,
"energy_per_atom": -0.7213275825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.88531033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9910343,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.865000Z",
"spacegroup": 71
},
{
"id": "mp-1094782",
"created_at": "2022-09-04T14:40:09.356173Z",
"structure_string": "Mg1 Zn1\n1.0\n1.531854 -2.653249 0.000000\n1.531854 2.653249 0.000000\n0.000000 0.000000 4.545164\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.032128647314675,
"density_atomic": 0.05413212271205993,
"volume": 36.94663907119286,
"volume_molar": 11.124893054781953,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.88577975,
"energy_per_atom": -1.442889875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.88577975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.290000Z",
"spacegroup": 187
},
{
"id": "mp-1096281",
"created_at": "2022-09-04T14:48:04.301733Z",
"structure_string": "Li1 Al1 Hg2\n1.0\n-5.474413 5.542937 7.827661\n5.474413 -5.542937 7.827661\n5.474413 5.542937 -7.827661\nLi Al Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Al\n0.000000 0.245915 0.245915 Hg\n0.000000 0.754085 0.754085 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Hg"
],
"chemical_system": "Al-Hg-Li",
"density": 0.7604509618157509,
"density_atomic": 0.004210081374794746,
"volume": 950.1004004215981,
"volume_molar": 143.0409586867807,
"formula_full": "Li1 Al1 Hg2",
"formula_reduced": "LiAlHg2",
"formula_anonymous": "ABC2",
"energy": -2.89897413,
"energy_per_atom": -0.7247435325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.89897413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1163651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.691000Z",
"spacegroup": 71
},
{
"id": "mp-119",
"created_at": "2022-09-04T14:43:00.408254Z",
"structure_string": "Se1\n1.0\n-1.723875 1.723875 1.723875\n1.723875 -1.723875 1.723875\n1.723875 1.723875 -1.723875\nSe\n1\ndirect\n0.000000 0.000000 0.000000 Se\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 6.398511154134527,
"density_atomic": 0.04880032274309051,
"volume": 20.49166775524219,
"volume_molar": 12.34037076292217,
"formula_full": "Se1",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -2.90028467,
"energy_per_atom": -2.90028467,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.90028467,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026801,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.071000Z",
"spacegroup": 229
},
{
"id": "mp-1226878",
"created_at": "2022-09-04T14:44:58.594015Z",
"structure_string": "Cd3 Hg1\n1.0\n1.568479 -2.716685 0.000000\n1.568479 2.716685 0.000000\n0.000000 0.000000 11.233184\nCd Hg\n3 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666667 0.755098 Cd\n0.333333 0.666667 0.244902 Cd\n0.000000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg",
"density": 9.329053995891355,
"density_atomic": 0.041783915035476814,
"volume": 95.73061778925653,
"volume_molar": 14.41258138421657,
"formula_full": "Cd3 Hg1",
"formula_reduced": "Cd3Hg",
"formula_anonymous": "AB3",
"energy": -2.90980997,
"energy_per_atom": -0.7274524925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.90980997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.288000Z",
"spacegroup": 187
},
{
"id": "mp-1097562",
"created_at": "2022-09-04T14:48:28.274140Z",
"structure_string": "Ca1 Hg2 Pb1\n1.0\n-6.030871 6.304210 8.885748\n6.030871 -6.304210 8.885748\n6.030871 6.304210 -8.885748\nCa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.256100 0.256100 Hg\n0.000000 0.743900 0.743900 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Hg",
"Pb"
],
"chemical_system": "Ca-Hg-Pb",
"density": 0.7968310623763107,
"density_atomic": 0.002960024440274489,
"volume": 1351.3401935387642,
"volume_molar": 203.449021503402,
"formula_full": "Ca1 Hg2 Pb1",
"formula_reduced": "CaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -2.92022167,
"energy_per_atom": -0.7300554175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.92022167,
"band_gap": 0.2955000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.845000Z",
"spacegroup": 71
},
{
"id": "mp-1096751",
"created_at": "2022-09-04T14:42:12.959266Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 0.29687629687682876,
"density_atomic": 0.0018078802405857432,
"volume": 2212.5359358449664,
"volume_molar": 333.1050710554179,
"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy": -2.9216728,
"energy_per_atom": -0.7304182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.9216728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5956939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.837000Z",
"spacegroup": 139
},
{
"id": "mp-2012",
"created_at": "2022-09-04T14:42:43.560617Z",
"structure_string": "Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 9.209102945277461,
"density_atomic": 0.05344600491392296,
"volume": 37.420944806278484,
"volume_molar": 11.26770984978,
"formula_full": "Li1 Hg1",
"formula_reduced": "LiHg",
"formula_anonymous": "AB",
"energy": -2.96021147,
"energy_per_atom": -1.480105735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.96021147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.928000Z",
"spacegroup": 221
},
{
"id": "mp-758433",
"created_at": "2022-09-04T14:46:03.033390Z",
"structure_string": "Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.438795681727514,
"density_atomic": 0.048569419458539216,
"volume": 41.17817388588059,
"volume_molar": 12.399037969026454,
"formula_full": "Ag1 Hg1",
"formula_reduced": "AgHg",
"formula_anonymous": "AB",
"energy": -2.96551846,
"energy_per_atom": -1.48275923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96551846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.330000Z",
"spacegroup": 221
},
{
"id": "mp-1095958",
"created_at": "2022-09-04T14:47:06.586669Z",
"structure_string": "Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Ca-Hg-Sn",
"density": 0.6754328847773211,
"density_atomic": 0.002905560251634056,
"volume": 1376.6708151209195,
"volume_molar": 207.26263572105285,
"formula_full": "Ca1 Sn1 Hg2",
"formula_reduced": "CaSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.96923094,
"energy_per_atom": -0.742307735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.96923094,
"band_gap": 0.0926,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.943000Z",
"spacegroup": 71
}
]
}