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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=12090",
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"results": [
{
"id": "mp-974768",
"created_at": "2022-09-04T14:46:24.816906Z",
"structure_string": "Rb4 Mg2\n1.0\n4.053241 -8.919046 0.000000\n4.053241 8.919046 0.000000\n0.000000 0.000000 5.617959\nRb Mg\n4 2\ndirect\n0.591996 0.868070 0.250000 Rb\n0.131930 0.408004 0.750000 Rb\n0.408004 0.131930 0.750000 Rb\n0.868070 0.591996 0.250000 Rb\n0.908593 0.908593 0.750000 Mg\n0.091407 0.091407 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.5963195588575336,
"density_atomic": 0.014771406794544745,
"volume": 406.19015395445416,
"volume_molar": 40.76890470732989,
"formula_full": "Rb4 Mg2",
"formula_reduced": "Rb2Mg",
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"energy": -6.03363238,
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"updated_at": "2021-11-28T01:37:31.018000Z",
"spacegroup": 63
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{
"id": "mp-11469",
"created_at": "2022-09-04T14:40:34.811162Z",
"structure_string": "Pr1 Hg1\n1.0\n3.870156 0.000000 0.000000\n0.000000 3.870156 0.000000\n0.000000 0.000000 3.870156\nPr Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
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"elements": [
"Pr",
"Hg"
],
"chemical_system": "Hg-Pr",
"density": 9.782534846566286,
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"volume": 57.96761247174476,
"volume_molar": 17.454456091298923,
"formula_full": "Pr1 Hg1",
"formula_reduced": "PrHg",
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.4586942,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.603000Z",
"spacegroup": 221
},
{
"id": "mp-1221252",
"created_at": "2022-09-04T14:42:11.477693Z",
"structure_string": "Na2 Tl1 Hg1\n1.0\n0.000000 3.786500 3.786500\n3.786500 0.000000 3.786500\n3.786500 3.786500 0.000000\nNa Tl Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Hg"
],
"chemical_system": "Hg-Na-Tl",
"density": 6.896620731003762,
"density_atomic": 0.036839702313363316,
"volume": 108.57851037925002,
"volume_molar": 16.346876825374117,
"formula_full": "Na2 Tl1 Hg1",
"formula_reduced": "Na2TlHg",
"formula_anonymous": "ABC2",
"energy": -6.03197647,
"energy_per_atom": -1.5079941175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.03197647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.861000Z",
"spacegroup": 216
},
{
"id": "mp-1183954",
"created_at": "2022-09-04T14:42:10.192548Z",
"structure_string": "Cs1 Ba3\n1.0\n-3.246471 3.246471 6.803383\n3.246471 -3.246471 6.803383\n3.246471 3.246471 -6.803383\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1546206351452257,
"density_atomic": 0.013946075883932475,
"volume": 286.8190330592186,
"volume_molar": 43.181614743242704,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.02830674,
"energy_per_atom": -1.507076685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02830674,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.132000Z",
"spacegroup": 139
},
{
"id": "mp-31474",
"created_at": "2022-09-04T14:47:33.853337Z",
"structure_string": "Rb2 Hg7\n1.0\n3.619518 -6.269189 0.000000\n3.619518 6.269189 0.000000\n0.000000 0.000000 6.798696\nRb Hg\n2 7\ndirect\n0.333333 0.666667 0.847781 Rb\n0.666667 0.333333 0.152219 Rb\n0.179952 0.359903 0.337152 Hg\n0.640097 0.820048 0.337152 Hg\n0.179952 0.820048 0.337152 Hg\n0.820048 0.640097 0.662848 Hg\n0.820048 0.179952 0.662848 Hg\n0.359903 0.179952 0.662848 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 8.47676263454847,
"density_atomic": 0.02916921810291613,
"volume": 308.54443777840737,
"volume_molar": 20.64553372240701,
"formula_full": "Rb2 Hg7",
"formula_reduced": "Rb2Hg7",
"formula_anonymous": "A2B7",
"energy": -6.02786487,
"energy_per_atom": -0.6697627633333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02786487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.199000Z",
"spacegroup": 164
},
{
"id": "mp-1183939",
"created_at": "2022-09-04T14:48:09.505976Z",
"structure_string": "Cs1 Ba3\n1.0\n6.604371 0.000000 0.000000\n0.000000 6.604371 0.000000\n0.000000 0.000000 6.604371\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1409478226708276,
"density_atomic": 0.013885630555517905,
"volume": 288.0675806552026,
"volume_molar": 43.36958797745708,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.02643967,
"energy_per_atom": -1.5066099175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02643967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0603924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.525000Z",
"spacegroup": 221
},
{
"id": "mp-2502",
"created_at": "2022-09-04T14:48:21.963998Z",
"structure_string": "Tm1 Cd1\n1.0\n3.703012 0.000000 0.000000\n0.000000 3.703012 0.000000\n0.000000 0.000000 3.703012\nTm Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"Cd"
],
"chemical_system": "Cd-Tm",
"density": 9.200750728213755,
"density_atomic": 0.039388064223395615,
"volume": 50.776803568123704,
"volume_molar": 15.28925292150556,
"formula_full": "Tm1 Cd1",
"formula_reduced": "TmCd",
"formula_anonymous": "AB",
"energy": -6.02569867,
"energy_per_atom": -3.012849335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02569867,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004263,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:24.898000Z",
"spacegroup": 221
},
{
"id": "mp-1185367",
"created_at": "2022-09-04T14:39:20.320369Z",
"structure_string": "Li1 In1 Hg2\n1.0\n0.000000 3.591526 3.591526\n3.591526 0.000000 3.591526\n3.591526 3.591526 0.000000\nLi In Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Hg"
],
"chemical_system": "Hg-In-Li",
"density": 9.372017472807356,
"density_atomic": 0.043171083775300524,
"volume": 92.65461161038816,
"volume_molar": 13.949477829522195,
"formula_full": "Li1 In1 Hg2",
"formula_reduced": "LiInHg2",
"formula_anonymous": "ABC2",
"energy": -6.02489468,
"energy_per_atom": -1.50622367,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.02489468,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.000389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.098000Z",
"spacegroup": 225
},
{
"id": "mp-11467",
"created_at": "2022-09-04T14:44:53.592984Z",
"structure_string": "Nd1 Hg1\n1.0\n3.843222 0.000000 0.000000\n0.000000 3.843222 0.000000\n0.000000 0.000000 3.843222\nNd Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Hg"
],
"chemical_system": "Hg-Nd",
"density": 10.087190974464859,
"density_atomic": 0.03523250971036425,
"volume": 56.76575459544017,
"volume_molar": 17.09256822606788,
"formula_full": "Nd1 Hg1",
"formula_reduced": "NdHg",
"formula_anonymous": "AB",
"energy": -6.02283957,
"energy_per_atom": -3.011419785,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -6.02283957,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.4355505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.481000Z",
"spacegroup": 221
},
{
"id": "mp-10021",
"created_at": "2022-09-04T14:39:08.011484Z",
"structure_string": "Ga2\n1.0\n1.376794 -4.448811 0.000000\n1.376794 4.448811 0.000000\n0.000000 0.000000 3.102618\nGa\n2\ndirect\n0.868285 0.131715 0.250000 Ga\n0.131715 0.868285 0.750000 Ga\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ga"
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"chemical_system": "Ga",
"density": 6.09233722507633,
"density_atomic": 0.05262096057180036,
"volume": 38.00766801417537,
"volume_molar": 11.444376337035688,
"formula_full": "Ga2",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -6.02177077,
"energy_per_atom": -3.010885385,
"energy_above_hull": null,
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"energy_uncorrected": -6.02177077,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:29.269000Z",
"spacegroup": 63
},
{
"id": "mp-1094464",
"created_at": "2022-09-04T14:41:03.805363Z",
"structure_string": "Mg3 Zn1\n1.0\n0.000000 3.433711 3.433711\n3.433711 0.000000 3.433711\n3.433711 3.433711 0.000000\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 2.8367784674171275,
"density_atomic": 0.04940134536776466,
"volume": 80.96945478351442,
"volume_molar": 12.190236349169478,
"formula_full": "Mg3 Zn1",
"formula_reduced": "Mg3Zn",
"formula_anonymous": "AB3",
"energy": -6.02094145,
"energy_per_atom": -1.5052353625,
"energy_above_hull": null,
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"total_magnetization": 5.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.802000Z",
"spacegroup": 225
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{
"id": "mp-1186152",
"created_at": "2022-09-04T14:42:02.185369Z",
"structure_string": "Na2 Hg6\n1.0\n3.336647 -5.779242 0.000000\n3.336647 5.779242 0.000000\n0.000000 0.000000 5.508011\nNa Hg\n2 6\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.832808 0.167192 0.750000 Hg\n0.334384 0.167192 0.750000 Hg\n0.832808 0.665616 0.750000 Hg\n0.167192 0.832808 0.250000 Hg\n0.665616 0.832808 0.250000 Hg\n0.167192 0.334384 0.250000 Hg\n",
"nsites": 8,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.767562772067706,
"density_atomic": 0.037660323732844454,
"volume": 212.42515217740976,
"volume_molar": 15.990677092209776,
"formula_full": "Na2 Hg6",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -6.01804276,
"energy_per_atom": -0.752255345,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -6.01804276,
"band_gap": 0.0,
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"total_magnetization": 0.0005527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.572000Z",
"spacegroup": 194
}
]
}