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=40",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=38",
"results": [
{
"id": "mp-685586",
"created_at": "2022-09-04T14:45:55.050364Z",
"structure_string": "Ag6 Bi28 Br42\n1.0\n15.002858 0.000000 0.000000\n0.000000 13.022649 0.000000\n0.000000 4.355615 13.499308\nAg Bi Br\n6 28 42\ndirect\n0.841068 0.540920 0.617724 Ag\n0.158932 0.540920 0.617724 Ag\n0.347631 0.449922 0.390307 Ag\n0.652369 0.449922 0.390307 Ag\n0.336894 0.134027 0.378023 Ag\n0.663106 0.134027 0.378023 Ag\n0.000000 0.899619 0.930715 Bi\n0.814737 0.880681 0.612870 Bi\n0.185263 0.880681 0.612870 Bi\n0.824805 0.754522 0.970495 Bi\n0.175195 0.754522 0.970495 Bi\n0.000000 0.639653 0.919744 Bi\n0.324146 0.779498 0.393155 Bi\n0.675854 0.779498 0.393155 Bi\n0.892908 0.843668 0.140327 Bi\n0.107092 0.843668 0.140327 Bi\n0.500000 0.740630 0.024848 Bi\n0.000000 0.651637 0.282902 Bi\n0.397954 0.457659 0.859492 Bi\n0.602046 0.457659 0.859492 Bi\n0.105256 0.555235 0.136620 Bi\n0.894744 0.555235 0.136620 Bi\n0.500000 0.345785 0.720431 Bi\n0.000000 0.264540 0.979148 Bi\n0.396834 0.145212 0.856612 Bi\n0.603166 0.145212 0.856612 Bi\n0.174544 0.226293 0.599446 Bi\n0.825456 0.226293 0.599446 Bi\n0.500000 0.361811 0.086714 Bi\n0.339287 0.245091 0.027417 Bi\n0.660713 0.245091 0.027417 Bi\n0.871325 0.189375 0.176112 Bi\n0.128675 0.189375 0.176112 Bi\n0.500000 0.088344 0.071756 Bi\n0.777610 0.997975 0.748496 Br\n0.222390 0.997975 0.748496 Br\n0.500000 0.015078 0.748359 Br\n0.360562 0.908413 0.535532 Br\n0.639438 0.908413 0.535532 Br\n0.000000 0.851476 0.694433 Br\n0.500000 0.658351 0.749370 Br\n0.500000 0.819990 0.302169 Br\n0.858911 0.764248 0.465054 Br\n0.141089 0.764248 0.465054 Br\n0.361603 0.895634 0.019916 Br\n0.638397 0.895634 0.019916 Br\n0.777658 0.682687 0.752337 Br\n0.222342 0.682687 0.752337 Br\n0.277555 0.665426 0.261730 Br\n0.722445 0.665426 0.261730 Br\n0.000000 0.530865 0.705745 Br\n0.346630 0.574721 0.535882 Br\n0.653370 0.574721 0.535882 Br\n0.862686 0.429694 0.968520 Br\n0.137314 0.429694 0.968520 Br\n0.357882 0.588250 0.025298 Br\n0.642118 0.588250 0.025298 Br\n0.858293 0.424222 0.461932 Br\n0.141707 0.424222 0.461932 Br\n0.500000 0.472129 0.288101 Br\n0.781194 0.327238 0.742116 Br\n0.218806 0.327238 0.742116 Br\n0.748865 0.326058 0.243385 Br\n0.251135 0.326058 0.243385 Br\n0.863413 0.093619 0.990129 Br\n0.136587 0.093619 0.990129 Br\n0.353463 0.241548 0.528158 Br\n0.646537 0.241548 0.528158 Br\n0.000000 0.178000 0.697779 Br\n0.000000 0.295351 0.266871 Br\n0.500000 0.156791 0.286902 Br\n0.855367 0.090992 0.464507 Br\n0.144633 0.090992 0.464507 Br\n0.000000 0.014343 0.255202 Br\n0.270065 0.990864 0.254964 Br\n0.729935 0.990864 0.254964 Br\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 6.204467438859882,
"density_atomic": 0.028815671999999515,
"volume": 2637.453674514385,
"volume_molar": 20.89883852092744,
"formula_full": "Ag6 Bi28 Br42",
"formula_reduced": "Ag3(Bi2Br3)7",
"formula_anonymous": "A3B14C21",
"energy": -251.87883291,
"energy_per_atom": -3.314195169868421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.45083291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.135000Z",
"spacegroup": 6
},
{
"id": "mp-1229165",
"created_at": "2022-09-04T14:43:10.366937Z",
"structure_string": "Ag3 Bi7 S12\n1.0\n2.037338 6.734990 0.000000\n-2.037338 6.734990 0.000000\n0.000000 4.281733 19.998083\nAg Bi S\n3 7 12\ndirect\n0.000000 0.000000 0.500000 Ag\n0.299061 0.299061 0.912266 Ag\n0.700939 0.700939 0.087734 Ag\n0.613643 0.613643 0.827378 Bi\n0.386357 0.386357 0.172622 Bi\n0.000000 0.000000 0.000000 Bi\n0.237509 0.237509 0.588805 Bi\n0.762491 0.762491 0.411195 Bi\n0.918171 0.918171 0.731968 Bi\n0.081829 0.081829 0.268032 Bi\n0.437105 0.437105 0.296986 S\n0.562895 0.562895 0.703014 S\n0.732667 0.732667 0.210335 S\n0.267333 0.267333 0.789665 S\n0.126434 0.126434 0.388620 S\n0.873566 0.873566 0.611380 S\n0.348395 0.348395 0.034455 S\n0.651605 0.651605 0.965545 S\n0.032022 0.032022 0.131586 S\n0.967978 0.967978 0.868414 S\n0.362437 0.362437 0.470959 S\n0.637563 0.637563 0.529041 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 6.569616308680433,
"density_atomic": 0.040087066614436555,
"volume": 548.8054342214489,
"volume_molar": 15.022652612429484,
"formula_full": "Ag3 Bi7 S12",
"formula_reduced": "Ag3Bi7S12",
"formula_anonymous": "A3B7C12",
"energy": -97.6491477,
"energy_per_atom": -4.438597622727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.6131477,
"band_gap": 0.6774999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.913000Z",
"spacegroup": 12
},
{
"id": "mp-1214935",
"created_at": "2022-09-04T14:42:12.852265Z",
"structure_string": "Ag3 Bi8 S13\n1.0\n2.085585 6.600419 0.000000\n-2.085585 6.600419 0.000000\n0.000000 1.270588 21.807071\nAg Bi S\n3 8 13\ndirect\n0.418172 0.418172 0.375441 Ag\n0.581828 0.581828 0.624559 Ag\n0.000000 0.000000 0.000000 Ag\n0.698956 0.698956 0.296204 Bi\n0.301044 0.301044 0.703796 Bi\n0.859484 0.859484 0.541681 Bi\n0.140516 0.140516 0.458319 Bi\n0.977225 0.977225 0.213510 Bi\n0.022775 0.022775 0.786490 Bi\n0.259656 0.259656 0.080929 Bi\n0.740344 0.740344 0.919071 Bi\n0.777399 0.777399 0.423013 S\n0.222601 0.222601 0.576987 S\n0.644546 0.644546 0.027803 S\n0.355454 0.355454 0.972197 S\n0.615465 0.615465 0.186102 S\n0.384535 0.384535 0.813898 S\n0.935785 0.935785 0.658223 S\n0.064215 0.064215 0.341777 S\n0.341493 0.341493 0.264933 S\n0.658507 0.658507 0.735067 S\n0.500000 0.500000 0.500000 S\n0.901508 0.901508 0.103063 S\n0.098492 0.098492 0.896937 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"S"
],
"chemical_system": "Ag-Bi-S",
"density": 6.671943876460009,
"density_atomic": 0.03997463509976636,
"volume": 600.3807149234058,
"volume_molar": 15.064904895242428,
"formula_full": "Ag3 Bi8 S13",
"formula_reduced": "Ag3Bi8S13",
"formula_anonymous": "A3B8C13",
"energy": -106.34978506,
"energy_per_atom": -4.431241044166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.81078506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.318000Z",
"spacegroup": 12
},
{
"id": "mp-1120715",
"created_at": "2022-09-04T14:40:42.400015Z",
"structure_string": "Ag3 Bi1 Br6\n1.0\n0.000000 5.589855 5.589855\n5.589855 0.000000 5.589855\n5.589855 5.589855 0.000000\nAg Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746425 0.746425 0.253575 Br\n0.253575 0.746425 0.253575 Br\n0.746425 0.253575 0.253575 Br\n0.253575 0.253575 0.746425 Br\n0.746425 0.253575 0.746425 Br\n0.253575 0.746425 0.746425 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 4.810628823628253,
"density_atomic": 0.028626508193122853,
"volume": 349.3265728581724,
"volume_molar": 21.0369379296031,
"formula_full": "Ag3 Bi1 Br6",
"formula_reduced": "Ag3BiBr6",
"formula_anonymous": "AB3C6",
"energy": -27.16144356,
"energy_per_atom": -2.716144356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.95744356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.790000Z",
"spacegroup": 225
},
{
"id": "mp-505145",
"created_at": "2022-09-04T14:45:26.718660Z",
"structure_string": "Ag24 Bi8 O24\n1.0\n-7.231687 7.231687 4.454785\n7.231687 -7.231687 4.454785\n7.231687 7.231687 -4.454785\nAg Bi O\n24 8 24\ndirect\n0.078463 0.713675 0.064684 Ag\n0.308265 0.346154 0.855152 Ag\n0.032403 0.177132 0.022442 Ag\n0.683209 0.528827 0.449770 Ag\n0.865692 0.638278 0.770870 Ag\n0.648991 0.013779 0.935316 Ag\n0.259961 0.782403 0.355271 Ag\n0.821223 0.707709 0.065415 Ag\n0.427132 0.904690 0.644729 Ag\n0.778827 0.829057 0.345618 Ag\n0.344822 0.615692 0.727414 Ag\n0.957709 0.392294 0.386485 Ag\n0.154690 0.009961 0.977558 Ag\n0.642294 0.755808 0.934585 Ag\n0.888278 0.617408 0.272586 Ag\n0.596154 0.241002 0.537889 Ag\n0.263779 0.828463 0.864788 Ag\n0.491002 0.453113 0.144848 Ag\n0.867408 0.094822 0.229130 Ag\n0.703113 0.058265 0.462111 Ag\n0.079057 0.233438 0.550230 Ag\n0.963675 0.398991 0.135212 Ag\n0.483438 0.433209 0.654382 Ag\n0.005808 0.571223 0.613515 Ag\n0.594587 0.276228 0.879057 Bi\n0.146710 0.973310 0.628874 Bi\n0.526228 0.147171 0.181641 Bi\n0.767836 0.896710 0.673401 Bi\n0.223310 0.094436 0.326599 Bi\n0.344436 0.517836 0.371126 Bi\n0.965530 0.344587 0.818359 Bi\n0.397171 0.715530 0.120943 Bi\n0.276128 0.935404 0.248860 O\n0.870306 0.756811 0.630459 O\n0.871763 0.496488 0.881201 O\n0.482137 0.311138 0.264435 O\n0.006811 0.876353 0.386506 O\n0.690447 0.245177 0.373096 O\n0.467703 0.232137 0.671000 O\n0.185404 0.436544 0.159276 O\n0.126353 0.239847 0.369541 O\n0.615287 0.990562 0.118799 O\n0.277268 0.026128 0.840724 O\n0.169239 0.803132 0.565005 O\n0.854234 0.919239 0.866107 O\n0.489847 0.620306 0.613494 O\n0.567351 0.440447 0.945270 O\n0.046703 0.217703 0.735565 O\n0.495177 0.622081 0.054730 O\n0.561138 0.796703 0.329000 O\n0.053132 0.988127 0.133893 O\n0.686544 0.027268 0.751140 O\n0.238127 0.604234 0.434995 O\n0.872081 0.317351 0.626904 O\n0.240562 0.621763 0.875275 O\n0.746488 0.365287 0.124725 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 8.276325591559287,
"density_atomic": 0.06009274535265409,
"volume": 931.8928544762629,
"volume_molar": 10.021410612311163,
"formula_full": "Ag24 Bi8 O24",
"formula_reduced": "Ag3BiO3",
"formula_anonymous": "AB3C3",
"energy": -261.97504224,
"energy_per_atom": -4.678125754285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.48704224,
"band_gap": 1.5250000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007203,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.768000Z",
"spacegroup": 80
},
{
"id": "mp-27816",
"created_at": "2022-09-04T14:47:07.601558Z",
"structure_string": "Ag3 B1 O3\n1.0\n3.132063 -5.070279 0.000000\n3.132063 5.070279 0.000000\n-5.075861 0.000000 3.123008\nAg B O\n3 1 3\ndirect\n0.000000 0.509386 0.490614 Ag\n0.490614 0.000000 0.509386 Ag\n0.509386 0.490614 0.000000 Ag\n0.000000 0.000000 0.000000 B\n0.863468 0.000000 0.136532 O\n0.136532 0.863468 0.000000 O\n0.000000 0.136532 0.863468 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.402022767932245,
"density_atomic": 0.0705720284921081,
"volume": 99.18944020126604,
"volume_molar": 8.533325297108954,
"formula_full": "Ag3 B1 O3",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -38.0952333,
"energy_per_atom": -5.442176185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.0342333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.615000Z",
"spacegroup": 155
},
{
"id": "mp-561550",
"created_at": "2022-09-04T14:44:12.422567Z",
"structure_string": "Ag12 B4 O12\n1.0\n5.487920 -4.989531 0.000000\n5.487920 4.989531 0.000000\n0.951517 0.000000 7.355767\nAg B O\n12 4 12\ndirect\n0.874370 0.372016 0.380554 Ag\n0.374370 0.880554 0.872016 Ag\n0.880554 0.872016 0.374370 Ag\n0.627984 0.619446 0.125630 Ag\n0.127984 0.625630 0.119446 Ag\n0.380554 0.874370 0.372016 Ag\n0.619446 0.125630 0.627984 Ag\n0.125630 0.627984 0.619446 Ag\n0.625630 0.119446 0.127984 Ag\n0.872016 0.374370 0.880554 Ag\n0.119446 0.127984 0.625630 Ag\n0.372016 0.380554 0.874370 Ag\n0.624292 0.624292 0.624292 B\n0.375708 0.375708 0.375708 B\n0.124292 0.124292 0.124292 B\n0.875708 0.875708 0.875708 B\n0.130153 0.981809 0.259847 O\n0.981809 0.259847 0.130153 O\n0.630153 0.759847 0.481809 O\n0.369847 0.240153 0.518191 O\n0.018191 0.740153 0.869847 O\n0.240153 0.518191 0.369847 O\n0.759847 0.481809 0.630153 O\n0.740153 0.869847 0.018191 O\n0.518191 0.369847 0.240153 O\n0.869847 0.018191 0.740153 O\n0.481809 0.630153 0.759847 O\n0.259847 0.130153 0.981809 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.305465996175103,
"density_atomic": 0.06950764501604749,
"volume": 402.8333860762443,
"volume_molar": 8.663997692066314,
"formula_full": "Ag12 B4 O12",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -153.8440594,
"energy_per_atom": -5.494430692857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.6000594,
"band_gap": 0.8717000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:30.667000Z",
"spacegroup": 167
},
{
"id": "mp-1183272",
"created_at": "2022-09-04T14:48:18.052732Z",
"structure_string": "Ag6 Br2\n1.0\n3.272696 -5.668477 0.000000\n3.272696 5.668477 0.000000\n0.000000 0.000000 4.722194\nAg Br\n6 2\ndirect\n0.147344 0.294689 0.250000 Ag\n0.705311 0.852656 0.250000 Ag\n0.147344 0.852656 0.250000 Ag\n0.852656 0.705311 0.750000 Ag\n0.294689 0.147344 0.750000 Ag\n0.852656 0.147344 0.750000 Ag\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 7.648671575046948,
"density_atomic": 0.045660862611464986,
"volume": 175.204749592078,
"volume_molar": 13.188845798300578,
"formula_full": "Ag6 Br2",
"formula_reduced": "Ag3Br",
"formula_anonymous": "AB3",
"energy": -20.67503616,
"energy_per_atom": -2.58437952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.60703616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.153000Z",
"spacegroup": 194
},
{
"id": "mp-1214975",
"created_at": "2022-09-04T14:40:38.675189Z",
"structure_string": "Ag6 C4 N4 O12\n1.0\n12.576884 0.000000 0.000000\n0.000000 5.201978 0.000000\n0.000000 4.343397 6.066995\nAg C N O\n6 4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.396503 0.601730 0.169077 Ag\n0.603497 0.398270 0.830923 Ag\n0.896503 0.398270 0.330923 Ag\n0.103497 0.601730 0.669077 Ag\n0.987116 0.574499 0.040311 C\n0.012884 0.425501 0.959689 C\n0.487116 0.425501 0.459689 C\n0.512884 0.574499 0.540311 C\n0.673840 0.690786 0.065027 N\n0.326160 0.309214 0.934973 N\n0.173840 0.309214 0.434973 N\n0.826160 0.690786 0.565027 N\n0.903357 0.864714 0.439039 O\n0.096643 0.135286 0.560961 O\n0.403357 0.135286 0.060961 O\n0.596643 0.864714 0.939039 O\n0.685672 0.417302 0.106844 O\n0.314328 0.582698 0.893156 O\n0.185672 0.582698 0.393156 O\n0.814328 0.417302 0.606844 O\n0.734920 0.788935 0.144523 O\n0.265080 0.211065 0.855477 O\n0.234920 0.211065 0.355477 O\n0.765080 0.788935 0.644523 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 3.9461233166272023,
"density_atomic": 0.06550254052053993,
"volume": 396.9311692856717,
"volume_molar": 9.193751436421937,
"formula_full": "Ag6 C4 N4 O12",
"formula_reduced": "Ag3C2(NO3)2",
"formula_anonymous": "A2B2C3D6",
"energy": -152.04253295,
"energy_per_atom": -5.847789728846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.79853295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.673000Z",
"spacegroup": 14
},
{
"id": "mp-1183265",
"created_at": "2022-09-04T14:43:10.071675Z",
"structure_string": "Ag6 Cl2\n1.0\n3.135101 -5.430155 0.000000\n3.135101 5.430155 0.000000\n0.000000 0.000000 4.773098\nAg Cl\n6 2\ndirect\n0.154707 0.309413 0.250000 Ag\n0.690587 0.845293 0.250000 Ag\n0.154707 0.845293 0.250000 Ag\n0.845293 0.690587 0.750000 Ag\n0.309413 0.154707 0.750000 Ag\n0.845293 0.154707 0.750000 Ag\n0.333333 0.666667 0.750000 Cl\n0.666667 0.333333 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 7.33751677069213,
"density_atomic": 0.049226150720373466,
"volume": 162.5152461228093,
"volume_molar": 12.233621097470023,
"formula_full": "Ag6 Cl2",
"formula_reduced": "Ag3Cl",
"formula_anonymous": "AB3",
"energy": -21.52005691,
"energy_per_atom": -2.69000711375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.29205691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.150000Z",
"spacegroup": 194
},
{
"id": "mp-1198516",
"created_at": "2022-09-04T14:44:49.327671Z",
"structure_string": "Ag6 C2 N2 Cl4 O20\n1.0\n4.865811 0.000000 0.000000\n0.000000 21.802933 0.000000\n-0.078252 0.000000 5.219808\nAg C N Cl O\n6 2 2 4 20\ndirect\n0.267363 0.241349 0.928217 Ag\n0.732637 0.741349 0.071783 Ag\n0.149300 0.133887 0.620115 Ag\n0.850700 0.633887 0.379885 Ag\n0.293012 0.365736 0.343911 Ag\n0.706988 0.865736 0.656089 Ag\n0.242057 0.231856 0.532904 C\n0.757943 0.731856 0.467096 C\n0.249064 0.257087 0.332783 N\n0.750936 0.757087 0.667217 N\n0.793199 0.379171 0.847161 Cl\n0.206801 0.879171 0.152839 Cl\n0.656486 0.105907 0.139177 Cl\n0.343514 0.605907 0.860823 Cl\n0.692132 0.438226 0.923519 O\n0.307868 0.938226 0.076481 O\n0.740478 0.368311 0.570196 O\n0.259522 0.868311 0.429804 O\n0.663865 0.330034 0.996772 O\n0.336135 0.830034 0.003228 O\n0.095406 0.374910 0.887283 O\n0.904594 0.874910 0.112717 O\n0.781554 0.048043 0.081093 O\n0.218446 0.548043 0.918907 O\n0.772570 0.155355 0.981737 O\n0.227430 0.655355 0.018263 O\n0.701853 0.121396 0.414961 O\n0.298147 0.621396 0.585039 O\n0.356467 0.104062 0.095227 O\n0.643533 0.604062 0.904773 O\n0.056908 0.006165 0.607838 O\n0.943092 0.506165 0.392162 O\n0.171587 0.481526 0.400300 O\n0.828413 0.981526 0.599700 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Ag",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-C-Cl-N-O",
"density": 3.481553644069474,
"density_atomic": 0.06139800110254021,
"volume": 553.7639563088858,
"volume_molar": 9.808366155019415,
"formula_full": "Ag6 C2 N2 Cl4 O20",
"formula_reduced": "Ag3CN(ClO5)2",
"formula_anonymous": "ABC2D3E10",
"energy": -158.13095247,
"energy_per_atom": -4.650910366764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.18895247,
"band_gap": 1.3565999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0310627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.020000Z",
"spacegroup": 4
},
{
"id": "mp-1229212",
"created_at": "2022-09-04T14:42:58.576643Z",
"structure_string": "Ag6 C2 N6 O12\n1.0\n11.706881 0.000000 0.000000\n0.000000 5.307792 0.000000\n0.000000 4.066361 6.320323\nAg C N O\n6 2 6 12\ndirect\n0.367837 0.170310 0.127528 Ag\n0.632163 0.170310 0.627528 Ag\n0.130843 0.824995 0.876336 Ag\n0.869157 0.824995 0.376336 Ag\n0.250732 0.506064 0.497904 Ag\n0.749268 0.506064 0.997904 Ag\n0.253760 0.897207 0.490224 C\n0.746240 0.897207 0.990224 C\n0.076211 0.174056 0.082936 N\n0.923789 0.174056 0.582936 N\n0.423541 0.825562 0.916782 N\n0.576459 0.825562 0.416782 N\n0.246625 0.103034 0.508723 N\n0.753375 0.103034 0.008723 N\n0.162142 0.298773 0.959784 O\n0.837858 0.298773 0.459784 O\n0.337887 0.700578 0.040525 O\n0.662113 0.700578 0.540525 O\n0.017123 0.318049 0.138424 O\n0.982877 0.318049 0.638424 O\n0.482467 0.681571 0.861189 O\n0.517533 0.681571 0.361189 O\n0.051831 0.903307 0.148160 O\n0.948169 0.903307 0.648160 O\n0.447986 0.096494 0.851485 O\n0.552014 0.096494 0.351485 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 4.005212601417093,
"density_atomic": 0.0662031989577839,
"volume": 392.7302669555219,
"volume_molar": 9.096449801225114,
"formula_full": "Ag6 C2 N6 O12",
"formula_reduced": "Ag3C(NO2)3",
"formula_anonymous": "AB3C3D6",
"energy": -155.81301044,
"energy_per_atom": -5.992808093846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.56901044,
"band_gap": 2.5277000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.082000Z",
"spacegroup": 7
}
]
}