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=-formula_reduced&page=21",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=19",
"results": [
{
"id": "mp-1094283",
"created_at": "2022-09-04T14:46:29.593316Z",
"structure_string": "Zr8 Sn8\n1.0\n5.318409 0.000000 0.000000\n0.000000 5.603907 0.000000\n0.000000 0.000000 12.600791\nZr Sn\n8 8\ndirect\n0.000000 0.677806 0.000000 Zr\n0.000000 0.166790 0.375451 Zr\n0.000000 0.661406 0.500000 Zr\n0.000000 0.166790 0.624549 Zr\n0.500000 0.338594 0.000000 Zr\n0.500000 0.833210 0.124549 Zr\n0.500000 0.322194 0.500000 Zr\n0.500000 0.833210 0.875451 Zr\n0.000000 0.167388 0.122573 Sn\n0.000000 0.659794 0.250254 Sn\n0.000000 0.659794 0.749746 Sn\n0.000000 0.167388 0.877427 Sn\n0.500000 0.340206 0.249746 Sn\n0.500000 0.832612 0.377427 Sn\n0.500000 0.832612 0.622573 Sn\n0.500000 0.340206 0.750254 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.425939469504945,
"density_atomic": 0.04260391625563539,
"volume": 375.5523296026481,
"volume_molar": 14.135181197581637,
"formula_full": "Zr8 Sn8",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -103.64709217,
"energy_per_atom": -6.477943260625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.64709217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.010532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.809000Z",
"spacegroup": 59
},
{
"id": "mp-1094597",
"created_at": "2022-09-04T14:47:00.622022Z",
"structure_string": "Zr8 Sn8\n1.0\n5.315237 0.000000 0.000000\n0.000000 6.018156 0.000000\n0.000000 0.000000 11.692749\nZr Sn\n8 8\ndirect\n0.000000 0.000000 0.828038 Zr\n0.000000 0.000000 0.306065 Zr\n0.000000 0.748781 0.573953 Zr\n0.000000 0.251219 0.573953 Zr\n0.500000 0.751219 0.426047 Zr\n0.500000 0.500000 0.693935 Zr\n0.500000 0.500000 0.171962 Zr\n0.500000 0.248781 0.426047 Zr\n0.000000 0.745029 0.067341 Sn\n0.000000 0.500000 0.800142 Sn\n0.000000 0.500000 0.345037 Sn\n0.000000 0.254971 0.067341 Sn\n0.500000 0.000000 0.654963 Sn\n0.500000 0.000000 0.199858 Sn\n0.500000 0.754971 0.932659 Sn\n0.500000 0.245029 0.932659 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.456227714863263,
"density_atomic": 0.04277768522777354,
"volume": 374.0267832353854,
"volume_molar": 14.077762104084368,
"formula_full": "Zr8 Sn8",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -105.20757825,
"energy_per_atom": -6.575473640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.20757825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.989000Z",
"spacegroup": 59
},
{
"id": "mp-1094261",
"created_at": "2022-09-04T14:45:58.381967Z",
"structure_string": "Zr4 Sn4\n1.0\n3.136689 0.000000 0.000000\n0.000000 5.114582 0.000000\n0.000000 0.000000 12.426056\nZr Sn\n4 4\ndirect\n0.000000 0.000000 0.537177 Zr\n0.500000 0.000000 0.293685 Zr\n0.000000 0.500000 0.706315 Zr\n0.500000 0.500000 0.462823 Zr\n0.000000 0.000000 0.066684 Sn\n0.500000 0.000000 0.759064 Sn\n0.000000 0.500000 0.240936 Sn\n0.500000 0.500000 0.933316 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 6.994826653746834,
"density_atomic": 0.040130546471958156,
"volume": 199.34939100792272,
"volume_molar": 15.00637616337486,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -51.21051285,
"energy_per_atom": -6.40131410625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.21051285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.616000Z",
"spacegroup": 59
},
{
"id": "mp-1094260",
"created_at": "2022-09-04T14:46:16.114333Z",
"structure_string": "Zr4 Sn4\n1.0\n5.263281 0.000000 0.000000\n0.000000 5.803486 0.000000\n0.000000 0.000000 5.972245\nZr Sn\n4 4\ndirect\n0.250000 0.104932 0.875137 Zr\n0.250000 0.604932 0.624863 Zr\n0.750000 0.395068 0.375137 Zr\n0.750000 0.895068 0.124863 Zr\n0.250000 0.106248 0.375013 Sn\n0.250000 0.606248 0.124987 Sn\n0.750000 0.393752 0.875013 Sn\n0.750000 0.893752 0.624987 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.6437901541562185,
"density_atomic": 0.04385376381542629,
"volume": 182.42447863017557,
"volume_molar": 13.732323604756616,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -53.41165636,
"energy_per_atom": -6.676457045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.41165636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.830000Z",
"spacegroup": 62
},
{
"id": "mp-1094268",
"created_at": "2022-09-04T14:42:13.812799Z",
"structure_string": "Zr4 Sn4\n1.0\n3.204377 -5.550143 0.000000\n3.204377 5.550143 0.000000\n0.000000 0.000000 5.245685\nZr Sn\n4 4\ndirect\n0.999066 0.499533 0.000000 Zr\n0.500467 0.499533 0.000000 Zr\n0.500467 0.000934 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.337707 0.168854 0.500000 Sn\n0.831146 0.168854 0.500000 Sn\n0.831146 0.662293 0.500000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.473290892167831,
"density_atomic": 0.04287557966657474,
"volume": 186.5863986495954,
"volume_molar": 14.045619457116716,
"formula_full": "Zr4 Sn4",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -51.7550099,
"energy_per_atom": -6.4693762375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.7550099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5481665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.225000Z",
"spacegroup": 187
},
{
"id": "mp-1094898",
"created_at": "2022-09-04T14:48:10.837254Z",
"structure_string": "Zr2 Sn2\n1.0\n3.166376 0.000000 0.000000\n0.000000 5.302816 0.000000\n0.000000 0.000000 5.472154\nZr Sn\n2 2\ndirect\n0.000000 0.189802 0.250000 Zr\n0.000000 0.810198 0.750000 Zr\n0.500000 0.692529 0.250000 Sn\n0.500000 0.307471 0.750000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.588125756945772,
"density_atomic": 0.0435344074125209,
"volume": 91.88134713990762,
"volume_molar": 13.833060142373677,
"formula_full": "Zr2 Sn2",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -26.46137192,
"energy_per_atom": -6.61534298,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.46137192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.208000Z",
"spacegroup": 51
},
{
"id": "mp-1094237",
"created_at": "2022-09-04T14:39:25.435134Z",
"structure_string": "Zr5 Sn5\n1.0\n2.794028 -7.650655 0.000000\n2.794028 7.650655 0.000000\n0.000000 0.000000 5.464419\nZr Sn\n5 5\ndirect\n0.016826 0.213013 0.000000 Zr\n0.249390 0.249390 0.500000 Zr\n0.843512 0.640149 0.500000 Zr\n0.640149 0.843512 0.500000 Zr\n0.213013 0.016826 0.000000 Zr\n0.857573 0.457543 0.000000 Sn\n0.032662 0.423209 0.500000 Sn\n0.599115 0.599115 0.000000 Sn\n0.457543 0.857573 0.000000 Sn\n0.423209 0.032662 0.500000 Sn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.461025457973194,
"density_atomic": 0.042805210720879276,
"volume": 233.61641799189317,
"volume_molar": 14.068709529941772,
"formula_full": "Zr5 Sn5",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -65.16780293,
"energy_per_atom": -6.516780292999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.16780293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2340964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.832000Z",
"spacegroup": 38
},
{
"id": "mp-1215210",
"created_at": "2022-09-04T14:39:29.184549Z",
"structure_string": "Zr1 Si1 W4\n1.0\n0.000000 3.771221 3.771221\n3.771221 0.000000 3.771221\n3.771221 3.771221 0.000000\nZr Si W\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Si\n0.374391 0.374391 0.374391 W\n0.374391 0.876826 0.374391 W\n0.876826 0.374391 0.374391 W\n0.374391 0.374391 0.876826 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"W"
],
"chemical_system": "Si-W-Zr",
"density": 13.230350722290876,
"density_atomic": 0.05593392607177674,
"volume": 107.26942343186407,
"volume_molar": 10.766526119178796,
"formula_full": "Zr1 Si1 W4",
"formula_reduced": "ZrSiW4",
"formula_anonymous": "ABC4",
"energy": -64.00951847,
"energy_per_atom": -10.668253078333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.00951847,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.342000Z",
"spacegroup": 216
},
{
"id": "mp-19917",
"created_at": "2022-09-04T14:45:26.488962Z",
"structure_string": "Zr2 Si2 Te2\n1.0\n3.698621 0.000000 0.000000\n0.000000 3.698621 0.000000\n0.000000 0.000000 9.887087\nZr Si Te\n2 2 2\ndirect\n0.000000 0.500000 0.283702 Zr\n0.500000 0.000000 0.716298 Zr\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.000000 0.146940 Te\n0.000000 0.500000 0.853060 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Te"
],
"chemical_system": "Si-Te-Zr",
"density": 6.062739038952948,
"density_atomic": 0.04436119456279214,
"volume": 135.2533460636898,
"volume_molar": 13.575244804275531,
"formula_full": "Zr2 Si2 Te2",
"formula_reduced": "ZrSiTe",
"formula_anonymous": "ABC",
"energy": -39.7320005,
"energy_per_atom": -6.622000083333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.0300005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.722000Z",
"spacegroup": 129
},
{
"id": "mp-4628",
"created_at": "2022-09-04T14:44:09.135173Z",
"structure_string": "Zr2 Si2 Se2\n1.0\n3.616770 0.000000 0.000000\n0.000000 3.616770 0.000000\n0.000000 0.000000 8.676050\nZr Si Se\n2 2 2\ndirect\n0.000000 0.500000 0.750791 Zr\n0.500000 0.000000 0.249209 Zr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.627647 Se\n0.000000 0.500000 0.372353 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Se"
],
"chemical_system": "Se-Si-Zr",
"density": 5.801912501348617,
"density_atomic": 0.05286733527708431,
"volume": 113.49162897190203,
"volume_molar": 11.39104274584147,
"formula_full": "Zr2 Si2 Se2",
"formula_reduced": "ZrSiSe",
"formula_anonymous": "ABC",
"energy": -42.19718878,
"energy_per_atom": -7.032864796666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.39518878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.6e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.394000Z",
"spacegroup": 129
},
{
"id": "mp-3938",
"created_at": "2022-09-04T14:45:12.979214Z",
"structure_string": "Zr2 Si2 S2\n1.0\n3.555800 0.000000 0.000000\n0.000000 3.555800 0.000000\n0.000000 0.000000 8.180087\nZr Si S\n2 2 2\ndirect\n0.000000 0.500000 0.732001 Zr\n0.500000 0.000000 0.267999 Zr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.622096 S\n0.000000 0.500000 0.377904 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Si",
"S"
],
"chemical_system": "S-Si-Zr",
"density": 4.86070473929277,
"density_atomic": 0.05801211196655161,
"volume": 103.42667757828669,
"volume_molar": 10.380833511926307,
"formula_full": "Zr2 Si2 S2",
"formula_reduced": "ZrSiS",
"formula_anonymous": "ABC",
"energy": -44.28932326,
"energy_per_atom": -7.3815538766666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.42532326,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.111000Z",
"spacegroup": 129
},
{
"id": "mp-1096081",
"created_at": "2022-09-04T14:43:41.146175Z",
"structure_string": "Zr1 Si1 Ru2\n1.0\n-4.524217 5.448720 7.714113\n4.524217 -5.448720 7.714113\n4.524217 5.448720 -7.714113\nZr Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Si\n0.000000 0.250384 0.250384 Ru\n0.000000 0.749616 0.749616 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Si",
"Ru"
],
"chemical_system": "Ru-Si-Zr",
"density": 0.701742769024912,
"density_atomic": 0.005258672026356365,
"volume": 760.6483119601443,
"volume_molar": 114.51828008700952,
"formula_full": "Zr1 Si1 Ru2",
"formula_reduced": "ZrSiRu2",
"formula_anonymous": "ABC2",
"energy": -20.84670147,
"energy_per_atom": -5.2116753675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.84670147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.633000Z",
"spacegroup": 71
}
]
}