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=nelements&page=1754",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=1752",
"results": [
{
"id": "mp-1219476",
"created_at": "2022-09-04T14:47:04.964972Z",
"structure_string": "Ru1 W1\n1.0\n1.394124 -2.414694 0.000000\n1.394124 2.414694 0.000000\n0.000000 0.000000 4.487687\nRu W\n1 1\ndirect\n0.333333 0.666667 0.500000 Ru\n0.000000 0.000000 0.000000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ru",
"W"
],
"chemical_system": "Ru-W",
"density": 15.658160090581266,
"density_atomic": 0.06619328499573993,
"volume": 30.21454517824151,
"volume_molar": 9.097812203137485,
"formula_full": "Ru1 W1",
"formula_reduced": "RuW",
"formula_anonymous": "AB",
"energy": -22.05999592,
"energy_per_atom": -11.02999796,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.05999592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.06e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.437000Z",
"spacegroup": 187
},
{
"id": "mp-1207687",
"created_at": "2022-09-04T14:47:08.216757Z",
"structure_string": "Zr8 In12\n1.0\n6.867919 0.000000 0.000000\n0.000000 6.867919 0.000000\n-3.433959 -3.433959 10.366804\nZr In\n8 12\ndirect\n0.288453 0.520261 0.576906 Zr\n0.288453 0.056645 0.576906 Zr\n0.306645 0.038453 0.076906 Zr\n0.961547 0.693355 0.923094 Zr\n0.961547 0.229739 0.923094 Zr\n0.770261 0.038453 0.076906 Zr\n0.943355 0.711547 0.423094 Zr\n0.479739 0.711547 0.423094 Zr\n0.804019 0.086142 0.608039 In\n0.804019 0.521896 0.608039 In\n0.771896 0.554019 0.108039 In\n0.445981 0.228104 0.891961 In\n0.445981 0.663858 0.891961 In\n0.336142 0.554019 0.108039 In\n0.478104 0.195981 0.391961 In\n0.913858 0.195981 0.391961 In\n0.125000 0.375000 0.250000 In\n0.125000 0.875000 0.250000 In\n0.125000 0.875000 0.750000 In\n0.625000 0.875000 0.750000 In\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Zr",
"In"
],
"chemical_system": "In-Zr",
"density": 7.157209328347312,
"density_atomic": 0.040901080313784734,
"volume": 488.9846391969133,
"volume_molar": 14.723671633608127,
"formula_full": "Zr8 In12",
"formula_reduced": "Zr2In3",
"formula_anonymous": "A2B3",
"energy": -100.81576488,
"energy_per_atom": -5.040788244,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.81576488,
"band_gap": 0.0243000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0107744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.598000Z",
"spacegroup": 141
},
{
"id": "mp-28241",
"created_at": "2022-09-04T14:47:08.230958Z",
"structure_string": "Zr6 I12\n1.0\n5.540421 -7.466581 0.000000\n5.540421 7.466581 0.000000\n-4.521961 0.000000 8.123913\nZr I\n6 12\ndirect\n0.970736 0.910593 0.732558 Zr\n0.732558 0.970736 0.910593 Zr\n0.910593 0.732558 0.970736 Zr\n0.029264 0.089407 0.267442 Zr\n0.267442 0.029264 0.089407 Zr\n0.089407 0.267442 0.029264 Zr\n0.441067 0.366884 0.142015 I\n0.366884 0.142015 0.441067 I\n0.142015 0.441067 0.366884 I\n0.558933 0.633116 0.857985 I\n0.633116 0.857985 0.558933 I\n0.857985 0.558933 0.633116 I\n0.075642 0.222771 0.695232 I\n0.695232 0.075642 0.222771 I\n0.222771 0.695232 0.075642 I\n0.924358 0.777229 0.304768 I\n0.304768 0.924358 0.777229 I\n0.777229 0.304768 0.924358 I\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Zr",
"I"
],
"chemical_system": "I-Zr",
"density": 5.114475464987056,
"density_atomic": 0.026780131057367176,
"volume": 672.1401012355474,
"volume_molar": 22.487346111561763,
"formula_full": "Zr6 I12",
"formula_reduced": "ZrI2",
"formula_anonymous": "AB2",
"energy": -88.75734283,
"energy_per_atom": -4.9309634905555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.20934283,
"band_gap": 0.0754000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9979953,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.387000Z",
"spacegroup": 148
},
{
"id": "mp-1187035",
"created_at": "2022-09-04T14:47:04.548046Z",
"structure_string": "Sn3 P1\n1.0\n0.000000 3.673528 3.673528\n3.673528 0.000000 3.673528\n3.673528 3.673528 0.000000\nSn P\n3 1\ndirect\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sn",
"P"
],
"chemical_system": "P-Sn",
"density": 6.483304663729726,
"density_atomic": 0.040344090779915937,
"volume": 99.14710984120819,
"volume_molar": 14.926946285273425,
"formula_full": "Sn3 P1",
"formula_reduced": "Sn3P",
"formula_anonymous": "AB3",
"energy": -16.30491282,
"energy_per_atom": -4.076228205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.30491282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.276000Z",
"spacegroup": 225
},
{
"id": "mp-1178951",
"created_at": "2022-09-04T14:47:08.163676Z",
"structure_string": "Te2 O8\n1.0\n4.964466 0.000000 0.000000\n0.000000 5.235457 0.000000\n0.000000 2.361606 5.262152\nTe O\n2 8\ndirect\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Te\n0.647978 0.370866 0.342130 O\n0.147978 0.129134 0.657870 O\n0.352022 0.629134 0.657870 O\n0.852022 0.870866 0.342130 O\n0.819560 0.363743 0.885750 O\n0.319560 0.136257 0.114250 O\n0.180440 0.636257 0.114250 O\n0.680440 0.863743 0.885750 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 4.65241697225184,
"density_atomic": 0.07311550324950794,
"volume": 136.76989907153924,
"volume_molar": 8.236475839398027,
"formula_full": "Te2 O8",
"formula_reduced": "TeO4",
"formula_anonymous": "AB4",
"energy": -52.23321801,
"energy_per_atom": -5.223321801,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.73721801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000985,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.028000Z",
"spacegroup": 14
},
{
"id": "mp-1039056",
"created_at": "2022-09-04T14:47:08.519272Z",
"structure_string": "Mg2 Cd4\n1.0\n1.558158 -2.698809 0.000000\n1.558158 2.698809 0.000000\n0.000000 0.000000 16.126172\nMg Cd\n2 4\ndirect\n0.666667 0.333333 0.584470 Mg\n0.333333 0.666667 0.415530 Mg\n0.666667 0.333333 0.916476 Cd\n0.333333 0.666667 0.748552 Cd\n0.666667 0.333333 0.251448 Cd\n0.333333 0.666667 0.083524 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.1003529734261255,
"density_atomic": 0.04423910411679856,
"volume": 135.62661631119397,
"volume_molar": 13.612709570475369,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -6.84255171,
"energy_per_atom": -1.140425285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.84255171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.16e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.551000Z",
"spacegroup": 164
},
{
"id": "mp-1245197",
"created_at": "2022-09-04T14:47:04.655808Z",
"structure_string": "Zn50 S50\n1.0\n13.846688 -0.450528 -0.239406\n-0.429982 12.375967 0.422482\n-0.221103 0.448969 14.188749\nZn S\n50 50\ndirect\n0.562784 0.944524 0.553803 Zn\n0.385545 0.540310 0.934753 Zn\n0.852482 0.255483 0.795886 Zn\n0.640473 0.353954 0.940541 Zn\n0.017713 0.094449 0.427205 Zn\n0.577843 0.210109 0.463931 Zn\n0.850090 0.826084 0.524737 Zn\n0.624217 0.868027 0.110013 Zn\n0.424605 0.265544 0.634527 Zn\n0.760541 0.032995 0.949915 Zn\n0.664007 0.417655 0.636436 Zn\n0.629546 0.087002 0.041438 Zn\n0.822317 0.508533 0.117807 Zn\n0.957735 0.972526 0.742188 Zn\n0.441241 0.488925 0.779203 Zn\n0.627754 0.597544 0.245851 Zn\n0.040936 0.863274 0.553156 Zn\n0.141901 0.844315 0.065363 Zn\n0.083628 0.159427 0.135359 Zn\n0.350493 0.830914 0.466184 Zn\n0.032438 0.204498 0.911200 Zn\n0.624150 0.163550 0.754997 Zn\n0.703645 0.416754 0.401724 Zn\n0.732774 0.911777 0.726276 Zn\n0.325130 0.986758 0.908919 Zn\n0.142363 0.666912 0.909210 Zn\n0.812628 0.634621 0.551446 Zn\n0.399732 0.550826 0.208812 Zn\n0.793069 0.077035 0.435450 Zn\n0.389917 0.281365 0.926612 Zn\n0.128891 0.968137 0.258975 Zn\n0.019639 0.571451 0.545999 Zn\n0.168622 0.521892 0.394935 Zn\n0.193316 0.299403 0.055939 Zn\n0.072326 0.503832 0.128569 Zn\n0.354756 0.966238 0.074961 Zn\n0.551485 0.016918 0.303401 Zn\n0.894614 0.543523 0.882202 Zn\n0.249240 0.042866 0.621032 Zn\n0.154170 0.306826 0.235984 Zn\n0.485459 0.534339 0.456276 Zn\n0.594933 0.593855 0.025490 Zn\n0.205620 0.294411 0.653528 Zn\n0.947738 0.534708 0.300665 Zn\n0.967758 0.211873 0.586362 Zn\n0.285129 0.798988 0.705004 Zn\n0.853927 0.859998 0.257176 Zn\n0.953946 0.697242 0.965841 Zn\n0.134178 0.528192 0.710172 Zn\n0.944717 0.787850 0.694471 Zn\n0.515877 0.991872 0.146619 S\n0.160728 0.131118 0.983638 S\n0.542530 0.375233 0.397326 S\n0.952091 0.362435 0.956265 S\n0.090328 0.328957 0.765784 S\n0.900522 0.092844 0.857348 S\n0.088254 0.444424 0.976012 S\n0.730692 0.501930 0.978712 S\n0.736778 0.957090 0.567771 S\n0.975171 0.602806 0.697037 S\n0.756073 0.743888 0.801709 S\n0.421961 0.697856 0.647115 S\n0.340640 0.382866 0.035770 S\n0.753223 0.786842 0.936920 S\n0.042973 0.642623 0.396043 S\n0.666628 0.145045 0.346561 S\n0.602114 0.771992 0.969711 S\n0.350776 0.660296 0.063289 S\n0.362507 0.650118 0.517063 S\n0.647529 0.000781 0.823822 S\n0.777545 0.504397 0.275628 S\n0.706554 0.328521 0.781530 S\n0.060341 0.068253 0.620225 S\n-0.000032 0.382936 0.238785 S\n0.257106 0.458759 0.282213 S\n0.218521 0.869664 0.555736 S\n0.495914 0.651374 0.322272 S\n0.790663 0.447214 0.540487 S\n0.539567 0.206655 0.939015 S\n0.958180 0.341857 0.689664 S\n0.243586 0.633715 0.793812 S\n0.068841 0.832295 0.918675 S\n0.506885 0.450261 0.626538 S\n0.939972 0.054427 0.137270 S\n0.895296 0.941662 0.392063 S\n0.149837 0.455118 0.557688 S\n0.454167 0.973240 0.427520 S\n0.720041 0.770397 0.205891 S\n0.343601 0.310137 0.770854 S\n0.152932 0.111821 0.343705 S\n0.539189 0.482676 0.142505 S\n0.200480 0.650492 0.067530 S\n0.247327 0.891091 0.185028 S\n0.334813 0.967419 0.753594 S\n0.556314 0.771810 0.630029 S\n0.952963 0.634891 0.126096 S\n0.286795 0.209067 0.547505 S\n0.906451 0.223925 0.440190 S\n0.542185 0.138210 0.612438 S\n0.993482 0.900435 0.168213 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.3365784248245878,
"density_atomic": 0.04122811198476839,
"volume": 2425.529455167501,
"volume_molar": 14.606879796544801,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -330.62365955,
"energy_per_atom": -3.3062365955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.47365955,
"band_gap": 0.8603999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.687000Z",
"spacegroup": 1
},
{
"id": "mp-672389",
"created_at": "2022-09-04T14:47:04.514198Z",
"structure_string": "Mn4 Te4\n1.0\n4.222394 0.000000 0.000000\n0.000000 7.147255 0.000000\n0.000000 2.215276 6.796620\nMn Te\n4 4\ndirect\n0.250000 0.298506 0.475198 Mn\n0.250000 0.116625 0.882006 Mn\n0.750000 0.883375 0.117994 Mn\n0.750000 0.701494 0.524802 Mn\n0.750000 0.497725 0.250808 Te\n0.250000 0.003545 0.280486 Te\n0.250000 0.502275 0.749192 Te\n0.750000 0.996455 0.719514 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 5.911142944079177,
"density_atomic": 0.039003085492700915,
"volume": 205.1119776535918,
"volume_molar": 15.440165012398804,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy": -50.89990114,
"energy_per_atom": -6.3624876425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.21190114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8976144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.174000Z",
"spacegroup": 11
},
{
"id": "mp-1002182",
"created_at": "2022-09-04T14:47:04.765122Z",
"structure_string": "Tc1 N1\n1.0\n0.000000 2.162447 2.162447\n2.162447 0.000000 2.162447\n2.162447 2.162447 0.000000\nTc N\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"N"
],
"chemical_system": "N-Tc",
"density": 9.196587086618651,
"density_atomic": 0.09889255190333268,
"volume": 20.22396997050897,
"volume_molar": 6.0895796944209035,
"formula_full": "Tc1 N1",
"formula_reduced": "TcN",
"formula_anonymous": "AB",
"energy": -17.95271688,
"energy_per_atom": -8.97635844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.59171688,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.777000Z",
"spacegroup": 225
},
{
"id": "mp-30767",
"created_at": "2022-09-04T14:47:00.081640Z",
"structure_string": "Li14 Sn4\n1.0\n4.899850 -6.916822 0.000000\n4.899850 6.916822 0.000000\n0.000000 0.000000 4.710867\nLi Sn\n14 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.653091 0.653091 0.000000 Li\n0.346909 0.346909 0.000000 Li\n0.827456 0.172544 0.500000 Li\n0.172544 0.827456 0.500000 Li\n0.656031 0.970705 0.000000 Li\n0.343969 0.029295 0.000000 Li\n0.970705 0.656031 0.000000 Li\n0.029295 0.343969 0.000000 Li\n0.496574 0.819613 0.500000 Li\n0.503426 0.180387 0.500000 Li\n0.819613 0.496574 0.500000 Li\n0.180387 0.503426 0.500000 Li\n0.835284 0.835284 0.500000 Sn\n0.164716 0.164716 0.500000 Sn\n0.682324 0.317677 0.000000 Sn\n0.317677 0.682324 0.000000 Sn\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Li",
"Sn"
],
"chemical_system": "Li-Sn",
"density": 2.9746476621714666,
"density_atomic": 0.056370551228721304,
"volume": 319.3156640772538,
"volume_molar": 10.683132644144989,
"formula_full": "Li14 Sn4",
"formula_reduced": "Li7Sn2",
"formula_anonymous": "A2B7",
"energy": -49.49309536999999,
"energy_per_atom": -2.749616409444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.49309536999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013106,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.159000Z",
"spacegroup": 65
},
{
"id": "mp-1018120",
"created_at": "2022-09-04T14:47:04.764335Z",
"structure_string": "Tm1 Sb2\n1.0\n1.765342 -3.130502 0.000000\n1.765342 3.130502 0.000000\n0.000000 0.000000 7.630791\nTm Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.000000 0.679017 Sb\n0.000000 0.500000 0.320983 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Sb"
],
"chemical_system": "Sb-Tm",
"density": 8.120493900543456,
"density_atomic": 0.035569590132218956,
"volume": 84.34170843263662,
"volume_molar": 16.930588004007223,
"formula_full": "Tm1 Sb2",
"formula_reduced": "TmSb2",
"formula_anonymous": "AB2",
"energy": -13.67257702,
"energy_per_atom": -4.557525673333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.288577019999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002852,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.047000Z",
"spacegroup": 21
},
{
"id": "mp-1184712",
"created_at": "2022-09-04T14:47:08.144937Z",
"structure_string": "Ge2 Au6\n1.0\n2.880096 -4.988473 0.000000\n2.880096 4.988473 0.000000\n0.000000 0.000000 5.163224\nGe Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n0.166348 0.332697 0.250000 Au\n0.667303 0.833652 0.250000 Au\n0.166348 0.833652 0.250000 Au\n0.833652 0.667303 0.750000 Au\n0.332697 0.166348 0.750000 Au\n0.833652 0.166348 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Au"
],
"chemical_system": "Au-Ge",
"density": 14.853214654820073,
"density_atomic": 0.053921806624140825,
"volume": 148.36298152551876,
"volume_molar": 11.16828447899942,
"formula_full": "Ge2 Au6",
"formula_reduced": "GeAu3",
"formula_anonymous": "AB3",
"energy": -28.31644401,
"energy_per_atom": -3.53955550125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.31644401,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.669000Z",
"spacegroup": 194
}
]
}