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=-is_stable&page=12135",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12133",
"results": [
{
"id": "mp-1188200",
"created_at": "2022-09-04T14:43:15.915837Z",
"structure_string": "Nd12 Ni4\n1.0\n6.557491 0.000000 0.000000\n0.000000 7.083121 0.000000\n0.000000 0.000000 10.029114\nNd Ni\n12 4\ndirect\n0.321340 0.678507 0.065614 Nd\n0.178660 0.178507 0.434386 Nd\n0.678660 0.321493 0.565614 Nd\n0.821340 0.821493 0.934386 Nd\n0.678660 0.321493 0.934386 Nd\n0.821340 0.821493 0.565614 Nd\n0.321340 0.678507 0.434386 Nd\n0.178660 0.178507 0.065614 Nd\n0.862357 0.535199 0.250000 Nd\n0.637643 0.035199 0.250000 Nd\n0.137643 0.464801 0.750000 Nd\n0.362357 0.964801 0.750000 Nd\n0.064401 0.890780 0.250000 Ni\n0.435599 0.390780 0.250000 Ni\n0.935599 0.109220 0.750000 Ni\n0.564401 0.609220 0.750000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nd",
"Ni"
],
"chemical_system": "Nd-Ni",
"density": 7.0070699687719955,
"density_atomic": 0.034347493551696445,
"volume": 465.8272946734348,
"volume_molar": 17.53298461483389,
"formula_full": "Nd12 Ni4",
"formula_reduced": "Nd3Ni",
"formula_anonymous": "AB3",
"energy": -83.04501333,
"energy_per_atom": -5.190313333125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.04501333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.377000Z",
"spacegroup": 62
},
{
"id": "mp-1095140",
"created_at": "2022-09-04T14:43:16.811299Z",
"structure_string": "Er4 Co2 Ge4\n1.0\n2.088429 5.193271 0.000000\n-2.088429 5.193271 0.000000\n0.000000 4.748997 8.897144\nEr Co Ge\n4 2 4\ndirect\n0.812694 0.812694 0.110842 Er\n0.187306 0.187306 0.889158 Er\n0.993901 0.993901 0.332454 Er\n0.006099 0.006099 0.667546 Er\n0.724617 0.724617 0.641071 Co\n0.275383 0.275383 0.358929 Co\n0.513191 0.513191 0.125195 Ge\n0.486809 0.486809 0.874805 Ge\n0.652191 0.652191 0.433995 Ge\n0.347809 0.347809 0.566005 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"Co",
"Ge"
],
"chemical_system": "Co-Er-Ge",
"density": 9.270643923443874,
"density_atomic": 0.05181537952532248,
"volume": 192.9928930678379,
"volume_molar": 11.622303677341481,
"formula_full": "Er4 Co2 Ge4",
"formula_reduced": "Er2CoGe2",
"formula_anonymous": "AB2C2",
"energy": -58.50800933000001,
"energy_per_atom": -5.850800933,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.50800933000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001019,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.240000Z",
"spacegroup": 12
},
{
"id": "mp-754771",
"created_at": "2022-09-04T14:43:15.450059Z",
"structure_string": "Li6 Co4 O2 F10\n1.0\n-2.071585 2.138710 4.179361\n2.150986 -2.068802 4.184184\n4.189156 8.380270 0.110078\nLi Co O F\n6 4 2 10\ndirect\n0.451714 0.301976 0.084347 Li\n0.881923 0.377452 0.254999 Li\n0.210032 0.044504 0.583951 Li\n0.784761 0.968981 0.438384 Li\n0.134363 0.611622 0.729441 Li\n0.543352 0.699175 0.913984 Li\n0.939586 0.810415 0.083392 Co\n0.710449 0.538259 0.584608 Co\n0.406670 0.862076 0.229829 Co\n0.034356 0.198022 0.938639 Co\n0.203116 0.020055 0.085769 O\n0.731250 0.546354 0.082557 O\n0.623306 0.143718 0.252481 F\n0.947515 0.777388 0.583531 F\n0.555471 0.736436 0.419576 F\n0.126940 0.623194 0.243875 F\n0.036529 0.180622 0.417859 F\n0.469678 0.301913 0.584189 F\n0.900967 0.382083 0.750987 F\n0.285423 0.464951 0.922101 F\n0.347139 0.860898 0.748114 F\n0.771554 0.962993 0.916017 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.741084880490664,
"density_atomic": 0.09925582236597327,
"volume": 221.6494657500516,
"volume_molar": 6.067292191480044,
"formula_full": "Li6 Co4 O2 F10",
"formula_reduced": "Li3Co2OF5",
"formula_anonymous": "AB2C3D5",
"energy": -123.30945657,
"energy_per_atom": -5.604975298636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.76345657,
"band_gap": 1.3196,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9998914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.386000Z",
"spacegroup": 5
},
{
"id": "mp-1216399",
"created_at": "2022-09-04T14:43:15.454350Z",
"structure_string": "Zn8 Ga4 P12 H32 N8 O48\n1.0\n11.756576 0.000000 0.000000\n-3.902939 11.127698 0.000000\n-3.954191 -5.542653 9.653445\nZn Ga P H N O\n8 4 12 32 8 48\ndirect\n0.230044 0.202351 0.270821 Zn\n0.029972 0.568724 0.300115 Zn\n0.045446 0.972038 0.772180 Zn\n0.464639 0.766920 0.539092 Zn\n0.699470 0.272806 0.729244 Zn\n0.074503 0.298677 0.525110 Zn\n0.427431 0.960616 0.229325 Zn\n0.773586 0.727131 0.202948 Zn\n0.460528 0.227387 0.929024 Ga\n0.266710 0.545863 0.967719 Ga\n0.722439 0.922221 0.957435 Ga\n0.800294 0.534614 0.577579 Ga\n0.305510 0.074746 0.034108 P\n0.228027 0.460848 0.424202 P\n0.764551 0.458988 0.038926 P\n0.199495 0.241071 0.779497 P\n0.269622 0.696257 0.228565 P\n0.739740 0.778308 0.703791 P\n0.962986 0.425057 0.722055 P\n0.958079 0.037410 0.262725 P\n0.572473 0.032818 0.801742 P\n0.541674 0.271548 0.466858 P\n0.536645 0.796914 0.074405 P\n0.920331 0.725030 0.462413 P\n0.267825 0.058676 0.598533 H\n0.205306 0.039440 0.437558 H\n0.165590 0.897766 0.458542 H\n0.229825 0.831941 0.790051 H\n0.288518 0.729968 0.829817 H\n0.331692 0.790846 0.730962 H\n0.540089 0.439259 0.707007 H\n0.396387 0.458017 0.664521 H\n0.557584 0.599071 0.767696 H\n0.958841 0.669466 0.901315 H\n0.101590 0.768060 0.061569 H\n0.938922 0.708180 0.041688 H\n0.331759 0.998782 0.497634 H\n0.165534 0.664931 0.663637 H\n0.499230 0.499268 0.832585 H\n0.000616 0.834472 0.001553 H\n0.857930 0.999024 0.499284 H\n0.641222 0.142992 0.144572 H\n0.496021 0.498580 0.357110 H\n0.999438 0.358804 0.002603 H\n0.731212 0.932935 0.533679 H\n0.798237 0.100595 0.566301 H\n0.697212 0.965994 0.398823 H\n0.769023 0.303521 0.201802 H\n0.704470 0.270372 0.304176 H\n0.804691 0.202046 0.269062 H\n0.602171 0.567420 0.300255 H\n0.466588 0.400146 0.198369 H\n0.432978 0.533787 0.230734 H\n0.901230 0.198688 0.968910 H\n0.035921 0.232768 0.935954 H\n0.068491 0.300000 0.104734 H\n0.244191 0.998708 0.498032 N\n0.251594 0.752435 0.751696 N\n0.498057 0.498665 0.744955 N\n0.999866 0.746982 0.001786 N\n0.770577 0.999770 0.499633 N\n0.730250 0.229857 0.230068 N\n0.499755 0.500261 0.271647 N\n0.001386 0.272035 0.002562 N\n0.603091 0.396154 0.985952 O\n0.210449 0.090970 0.092859 O\n0.123341 0.513292 0.421509 O\n0.895391 0.882558 0.802397 O\n0.293589 0.400392 0.887252 O\n0.382507 0.791194 0.382086 O\n0.591497 0.094014 0.709740 O\n0.014532 0.417554 0.618554 O\n0.893224 0.985580 0.101913 O\n0.909059 0.617842 0.516307 O\n0.501484 0.118004 0.408773 O\n0.593767 0.698689 0.080249 O\n0.519501 0.099233 0.895134 O\n0.428902 0.302551 0.399913 O\n0.125131 0.599600 0.196822 O\n0.971925 0.871082 0.575047 O\n0.080878 0.489557 0.873563 O\n0.375947 0.572349 0.474993 O\n0.796913 0.396750 0.925968 O\n0.112148 0.206310 0.631810 O\n0.589540 0.883295 0.009236 O\n0.707898 0.627740 0.618151 O\n0.403955 0.027501 0.098389 O\n0.895800 0.924016 0.294778 O\n0.305955 0.187040 0.775560 O\n0.114983 0.084119 0.318634 O\n0.028488 0.733969 0.413395 O\n0.213379 0.969599 0.875324 O\n0.374330 0.700747 0.965819 O\n0.465764 0.875824 0.709382 O\n0.592906 0.335767 0.625095 O\n0.243338 0.406680 0.530112 O\n0.674083 0.767158 0.800250 O\n0.909020 0.533232 0.733602 O\n0.257993 0.790201 0.163154 O\n0.821701 0.615301 0.085378 O\n0.403318 0.222674 0.056823 O\n0.171951 0.341573 0.275724 O\n0.829747 0.433701 0.159891 O\n0.107695 0.171016 0.830857 O\n0.319338 0.598711 0.151954 O\n0.666498 0.821338 0.604512 O\n0.848004 0.282868 0.680585 O\n0.933005 0.158154 0.329466 O\n0.716271 0.055431 0.905808 O\n0.668935 0.349382 0.447775 O\n0.563674 0.896770 0.216242 O\n0.773140 0.669647 0.341972 O\n",
"nsites": 112,
"nelements": 6,
"elements": [
"Zn",
"Ga",
"P",
"H",
"N",
"O"
],
"chemical_system": "Ga-H-N-O-P-Zn",
"density": 2.742973057489359,
"density_atomic": 0.08868486511378458,
"volume": 1262.8986902816123,
"volume_molar": 6.790494355799566,
"formula_full": "Zn8 Ga4 P12 H32 N8 O48",
"formula_reduced": "Zn2GaP3H8(NO6)2",
"formula_anonymous": "AB2C2D3E8F12",
"energy": -705.01784031,
"energy_per_atom": -6.294802145625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -669.15384031,
"band_gap": 3.995400000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.950000Z",
"spacegroup": 1
},
{
"id": "mp-1027350",
"created_at": "2022-09-04T14:43:15.457346Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n1.652832 -2.862788 0.000000\n1.652832 2.862788 0.000000\n0.000000 0.000000 39.295455\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.000000 0.000000 0.329545 Te\n0.000000 0.000000 0.232172 Te\n0.000000 0.000000 0.093397 Mo\n0.333333 0.666667 0.280869 Mo\n0.000000 0.000000 0.470940 W\n0.333333 0.666667 0.657759 W\n0.333333 0.666667 0.427895 Se\n0.333333 0.666667 0.513924 Se\n0.000000 0.000000 0.696831 S\n0.333333 0.666667 0.054514 S\n0.333333 0.666667 0.132219 S\n0.000000 0.000000 0.618680 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 4.916120624602504,
"density_atomic": 0.03226941021824235,
"volume": 371.86920736519164,
"volume_molar": 18.662072592190107,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy": -88.15377901,
"energy_per_atom": -7.346148250833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.35377901,
"band_gap": 0.6868999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.884000Z",
"spacegroup": 156
},
{
"id": "mp-1174385",
"created_at": "2022-09-04T14:43:15.459636Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n4.974179 -0.127649 0.232488\n-1.808543 4.562252 6.034063\n1.249810 -5.121134 5.719280\nLi Mn Co O\n10 4 2 16\ndirect\n0.999624 0.380186 0.881579 Li\n0.999943 0.880539 0.381162 Li\n0.497310 0.498040 0.000739 Li\n0.498126 0.998675 0.499824 Li\n0.000462 0.619095 0.118593 Li\n0.000863 0.119482 0.617373 Li\n0.502003 0.750185 0.249948 Li\n0.501902 0.250132 0.750009 Li\n0.999482 0.749838 0.750810 Li\n0.999083 0.249836 0.251066 Li\n0.000510 0.502191 0.501612 Mn\n0.999955 0.001658 0.001025 Mn\n0.500038 0.626985 0.627329 Mn\n0.499508 0.127109 0.127268 Mn\n0.500057 0.869118 0.868714 Co\n0.500240 0.368994 0.368677 Co\n0.750452 0.117882 0.894110 O\n0.752279 0.618313 0.393787 O\n0.249959 0.227676 0.007101 O\n0.251222 0.728241 0.506618 O\n0.721190 0.360227 0.125903 O\n0.721124 0.860255 0.625734 O\n0.247389 0.496282 0.273810 O\n0.246461 0.996184 0.774266 O\n0.279559 0.625848 0.860081 O\n0.278442 0.125928 0.360382 O\n0.754076 0.774662 0.995612 O\n0.753630 0.274361 0.495719 O\n0.247693 0.394039 0.618266 O\n0.248313 0.894188 0.117835 O\n0.749621 0.506851 0.727657 O\n0.749482 0.006999 0.227389 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9035472617887375,
"density_atomic": 0.11345780266614383,
"volume": 282.0431847614911,
"volume_molar": 5.307824246976208,
"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -214.21322312,
"energy_per_atom": -6.6941632225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -193.27322312,
"band_gap": 1.3569,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0438539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.389000Z",
"spacegroup": 3
},
{
"id": "mp-1245606",
"created_at": "2022-09-04T14:43:15.460787Z",
"structure_string": "Mn2 Co4 N4\n1.0\n0.000000 -2.811740 0.000000\n-2.842167 0.000000 0.000000\n0.000000 0.000000 -11.524847\nMn Co N\n2 4 4\ndirect\n0.750000 0.832846 0.750000 Mn\n0.250000 0.167154 0.250000 Mn\n0.750000 0.712174 0.088417 Co\n0.750000 0.712174 0.411583 Co\n0.250000 0.287826 0.911583 Co\n0.250000 0.287826 0.588417 Co\n0.750000 0.753768 0.589891 N\n0.750000 0.753768 0.910109 N\n0.250000 0.246232 0.410109 N\n0.250000 0.246232 0.089891 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Co",
"N"
],
"chemical_system": "Co-Mn-N",
"density": 7.241381920926841,
"density_atomic": 0.10857756045375859,
"volume": 92.10006154318448,
"volume_molar": 5.546395346177198,
"formula_full": "Mn2 Co4 N4",
"formula_reduced": "Mn(CoN)2",
"formula_anonymous": "AB2C2",
"energy": -79.69327165,
"energy_per_atom": -7.969327165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.24927165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3660352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.459000Z",
"spacegroup": 59
},
{
"id": "mp-754770",
"created_at": "2022-09-04T14:43:15.499407Z",
"structure_string": "Li4 Mn4 F12\n1.0\n10.224994 0.000000 0.000000\n0.000000 3.803119 0.000000\n0.000000 0.324377 6.937676\nLi Mn F\n4 4 12\ndirect\n0.544647 0.727922 0.791825 Li\n0.955353 0.727922 0.291825 Li\n0.044647 0.272078 0.708175 Li\n0.455353 0.272078 0.208175 Li\n0.220679 0.751760 0.980061 Mn\n0.279321 0.751760 0.480061 Mn\n0.720679 0.248240 0.519939 Mn\n0.779321 0.248240 0.019939 Mn\n0.107955 0.780927 0.658318 F\n0.392045 0.780927 0.158318 F\n0.364651 0.710353 0.762759 F\n0.644106 0.746835 0.556385 F\n0.135349 0.710353 0.262759 F\n0.855894 0.746835 0.056385 F\n0.144106 0.253165 0.943615 F\n0.864651 0.289647 0.737241 F\n0.355894 0.253165 0.443615 F\n0.635349 0.289647 0.237241 F\n0.607955 0.219073 0.841682 F\n0.892045 0.219073 0.341682 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 2.9267114400579723,
"density_atomic": 0.07413324407933768,
"volume": 269.7844974731704,
"volume_molar": 8.123401093246482,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy": -126.74177144,
"energy_per_atom": -6.337088572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.52577144,
"band_gap": 3.3288,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0005821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.435000Z",
"spacegroup": 14
},
{
"id": "mp-1097236",
"created_at": "2022-09-04T14:43:15.501475Z",
"structure_string": "Li2 Sn1 Pb1\n1.0\n-5.601537 5.935772 8.408825\n5.601537 -5.935772 8.408825\n5.601537 5.935772 -8.408825\nLi Sn Pb\n2 1 1\ndirect\n0.000000 0.247780 0.247780 Li\n0.000000 0.752220 0.752220 Li\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Pb"
],
"chemical_system": "Li-Pb-Sn",
"density": 0.5045248033157863,
"density_atomic": 0.003576681479880584,
"volume": 1118.3551072413497,
"volume_molar": 168.37229688680762,
"formula_full": "Li2 Sn1 Pb1",
"formula_reduced": "Li2SnPb",
"formula_anonymous": "ABC2",
"energy": -6.75306449,
"energy_per_atom": -1.6882661225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.75306449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.259495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.885000Z",
"spacegroup": 71
},
{
"id": "mp-1100329",
"created_at": "2022-09-04T14:43:15.504728Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n1.196963 -3.771845 0.000000\n6.525096 4.146529 0.000000\n0.000000 0.000000 8.111719\nCa Sn S\n2 2 6\ndirect\n0.703526 0.407051 0.750000 Ca\n0.296474 0.592949 0.250000 Ca\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.512539 0.025077 0.750000 S\n0.487461 0.974923 0.250000 S\n0.838557 0.677113 0.493884 S\n0.161443 0.322887 0.506116 S\n0.838557 0.677113 0.006116 S\n0.161443 0.322887 0.993884 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.5298337153362582,
"density_atomic": 0.04168347595819081,
"volume": 239.90321752509698,
"volume_molar": 14.447309447130328,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy": -49.12291366,
"energy_per_atom": -4.912291366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.10491366,
"band_gap": 0.1110000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007144,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.380000Z",
"spacegroup": 63
},
{
"id": "mp-756183",
"created_at": "2022-09-04T14:43:15.519362Z",
"structure_string": "Cr1 Ga1 O4\n1.0\n4.535277 0.014215 0.150305\n-4.547265 2.951276 -0.145119\n-0.012842 -0.010716 4.543583\nCr Ga O\n1 1 4\ndirect\n0.504314 0.000233 0.498411 Cr\n0.503083 0.499351 0.998387 Ga\n0.209171 0.999323 0.793566 O\n0.194677 0.500294 0.686762 O\n0.799169 0.999355 0.203122 O\n0.814207 0.498980 0.308825 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Ga",
"O"
],
"chemical_system": "Cr-Ga-O",
"density": 5.046067542214551,
"density_atomic": 0.09817575597946149,
"volume": 61.114884628494316,
"volume_molar": 6.134040629399218,
"formula_full": "Cr1 Ga1 O4",
"formula_reduced": "CrGaO4",
"formula_anonymous": "ABC4",
"energy": -43.7346129,
"energy_per_atom": -7.289102150000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.9876129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9990253,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.581000Z",
"spacegroup": 65
},
{
"id": "mp-864630",
"created_at": "2022-09-04T14:43:15.522455Z",
"structure_string": "Li1 Mg2 Hg1\n1.0\n0.000000 3.393948 3.393948\n3.393948 0.000000 3.393948\n3.393948 3.393948 0.000000\nLi Mg Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Hg"
],
"chemical_system": "Hg-Li-Mg",
"density": 5.439796464174427,
"density_atomic": 0.0511581043633461,
"volume": 78.18898002143197,
"volume_molar": 11.771626089247277,
"formula_full": "Li1 Mg2 Hg1",
"formula_reduced": "LiMg2Hg",
"formula_anonymous": "ABC2",
"energy": -6.44379645,
"energy_per_atom": -1.6109491125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.44379645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.629000Z",
"spacegroup": 225
}
]
}