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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=10390",
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"results": [
{
"id": "mp-1227854",
"created_at": "2022-09-04T14:40:14.150727Z",
"structure_string": "Ca3 Mg2 Fe1 C6 O18\n1.0\n4.890747 0.000000 0.000000\n-2.434499 5.584732 0.000000\n-0.034876 -2.373330 12.262699\nCa Mg Fe C O\n3 2 1 6 18\ndirect\n0.666674 0.834036 0.833061 Ca\n0.333326 0.165964 0.166939 Ca\n0.000000 0.500000 0.500000 Ca\n0.666709 0.833634 0.333287 Mg\n0.333291 0.166366 0.666713 Mg\n0.000000 0.500000 0.000000 Fe\n0.659137 0.817491 0.085958 C\n0.323902 0.147993 0.419037 C\n0.990933 0.481334 0.751788 C\n0.676098 0.852007 0.580963 C\n0.340863 0.182509 0.914042 C\n0.009067 0.518666 0.248212 C\n0.126610 0.067861 0.335933 O\n0.793729 0.400708 0.668728 O\n0.467820 0.738200 0.001524 O\n0.594696 0.909634 0.178907 O\n0.264957 0.244618 0.512508 O\n0.931184 0.580180 0.844435 O\n0.584363 0.139974 0.407717 O\n0.250183 0.472553 0.741226 O\n0.920640 0.813327 0.076567 O\n0.206271 0.599292 0.331272 O\n0.873390 0.932139 0.664067 O\n0.532180 0.261800 0.998476 O\n0.735043 0.755382 0.487492 O\n0.405304 0.090366 0.821093 O\n0.068816 0.419820 0.155565 O\n0.749817 0.527447 0.258774 O\n0.415637 0.860026 0.592283 O\n0.079360 0.186673 0.923433 O\n",
"nsites": 30,
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"elements": [
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"Mg",
"Fe",
"C",
"O"
],
"chemical_system": "C-Ca-Fe-Mg-O",
"density": 2.899012453123375,
"density_atomic": 0.0895689848918177,
"volume": 334.93736739602775,
"volume_molar": 6.723466574142379,
"formula_full": "Ca3 Mg2 Fe1 C6 O18",
"formula_reduced": "Ca3Mg2Fe(CO3)6",
"formula_anonymous": "AB2C3D6E18",
"energy": -235.9323241,
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"energy_uncorrected": -221.3103241,
"band_gap": 4.030200000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.185000Z",
"spacegroup": 2
},
{
"id": "mp-777449",
"created_at": "2022-09-04T14:47:15.523259Z",
"structure_string": "Li4 V5 Sn1 O12\n1.0\n4.523767 2.639240 0.000000\n-4.523767 2.639240 0.000000\n0.000000 0.086487 10.286088\nLi V Sn O\n4 5 1 12\ndirect\n0.364006 0.845606 0.746991 Li\n0.154394 0.635994 0.253009 Li\n0.845606 0.364006 0.746991 Li\n0.635994 0.154394 0.253009 Li\n0.157403 0.842597 0.500000 V\n0.336443 0.663557 0.000000 V\n0.663557 0.336443 0.000000 V\n0.842597 0.157403 0.500000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sn\n0.335139 0.983820 0.110064 O\n0.016180 0.664861 0.889936 O\n0.494972 0.843387 0.396154 O\n0.156613 0.505028 0.603846 O\n0.824863 0.824863 0.601380 O\n0.662185 0.662185 0.101396 O\n0.337815 0.337815 0.898604 O\n0.175137 0.175137 0.398620 O\n0.843387 0.494972 0.396154 O\n0.505028 0.156613 0.603846 O\n0.983820 0.335139 0.110064 O\n0.664861 0.016180 0.889936 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.010255839263191,
"density_atomic": 0.0895701572762029,
"volume": 245.61752115896957,
"volume_molar": 6.723378570643604,
"formula_full": "Li4 V5 Sn1 O12",
"formula_reduced": "Li4V5SnO12",
"formula_anonymous": "AB4C5D12",
"energy": -167.87474671,
"energy_per_atom": -7.630670305000001,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 9.0002142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.981000Z",
"spacegroup": 12
},
{
"id": "mp-766020",
"created_at": "2022-09-04T14:43:14.364939Z",
"structure_string": "Li24 Mn4 O12 F12\n1.0\n4.051475 2.325716 -4.872220\n-8.256133 4.777542 -2.502524\n-0.007576 9.570902 2.558396\nLi Mn O F\n24 4 12 12\ndirect\n0.010435 0.804039 0.848797 Li\n0.010481 0.304072 0.348785 Li\n0.178592 0.729822 0.139867 Li\n0.178612 0.229855 0.639845 Li\n0.317794 0.503746 0.172714 Li\n0.317731 0.003777 0.672662 Li\n0.171492 0.461952 0.751066 Li\n0.171491 0.961936 0.251070 Li\n0.669502 0.644507 0.025527 Li\n0.669495 0.144545 0.525500 Li\n0.508223 0.565754 0.584942 Li\n0.508317 0.065732 0.084903 Li\n0.468168 0.431339 0.416886 Li\n0.468227 0.931327 0.916930 Li\n0.334354 0.352225 0.967379 Li\n0.334372 0.852218 0.467376 Li\n0.831526 0.530886 0.244840 Li\n0.831556 0.030897 0.744877 Li\n0.686392 0.502409 0.828578 Li\n0.686474 0.002365 0.328584 Li\n0.823400 0.275758 0.859513 Li\n0.823395 0.775776 0.359497 Li\n0.970264 0.195604 0.154347 Li\n0.970200 0.695608 0.654340 Li\n0.021772 0.998607 0.003339 Mn\n0.522455 0.748528 0.752943 Mn\n0.021710 0.498777 0.503217 Mn\n0.522204 0.248700 0.252861 Mn\n0.093239 0.519186 0.300813 O\n0.093260 0.019145 0.800861 O\n0.266160 0.452287 0.560420 O\n0.266293 0.952227 0.060500 O\n0.772856 0.710887 0.806974 O\n0.772956 0.210918 0.306961 O\n0.424112 0.542476 0.790983 O\n0.424137 0.042530 0.290988 O\n0.573294 0.458096 0.211907 O\n0.573361 0.958076 0.711911 O\n0.906809 0.480383 0.699407 O\n0.906866 0.980412 0.199397 O\n0.405816 0.705688 0.012477 F\n0.405824 0.205698 0.512452 F\n0.919138 0.726890 0.067296 F\n0.919126 0.226885 0.567282 F\n0.073987 0.269794 0.937609 F\n0.073973 0.769791 0.437595 F\n0.228175 0.296584 0.185819 F\n0.228179 0.796594 0.685809 F\n0.731489 0.552007 0.437423 F\n0.731479 0.051991 0.937464 F\n0.590413 0.290349 0.988235 F\n0.590423 0.790345 0.488230 F\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.306285166301027,
"density_atomic": 0.08957056292571022,
"volume": 580.5478753452602,
"volume_molar": 6.723348121630943,
"formula_full": "Li24 Mn4 O12 F12",
"formula_reduced": "Li6Mn(OF)3",
"formula_anonymous": "AB3C3D6",
"energy": -295.36342554,
"energy_per_atom": -5.68006587576923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -274.90342554,
"band_gap": 2.1,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.095000Z",
"spacegroup": 1
},
{
"id": "mp-1205588",
"created_at": "2022-09-04T14:43:42.022414Z",
"structure_string": "Mn6 Ge2 N2\n1.0\n-2.620878 2.620878 4.063280\n2.620878 -2.620878 4.063280\n2.620878 2.620878 -4.063280\nMn Ge N\n6 2 2\ndirect\n0.686280 0.186280 0.872561 Mn\n0.313720 0.813720 0.127439 Mn\n0.186280 0.313720 0.500000 Mn\n0.813720 0.686280 0.500000 Mn\n0.250000 0.250000 0.000000 Mn\n0.750000 0.750000 0.000000 Mn\n0.750000 0.250000 0.500000 Ge\n0.250000 0.750000 0.500000 Ge\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"N"
],
"chemical_system": "Ge-Mn-N",
"density": 7.480301347485403,
"density_atomic": 0.08957145882646536,
"volume": 111.64270551151652,
"volume_molar": 6.723280874175804,
"formula_full": "Mn6 Ge2 N2",
"formula_reduced": "Mn3GeN",
"formula_anonymous": "ABC3",
"energy": -83.73443921,
"energy_per_atom": -8.373443921,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -83.01243921,
"band_gap": 0.0,
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"total_magnetization": 10.9397943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.946000Z",
"spacegroup": 140
},
{
"id": "mp-1213888",
"created_at": "2022-09-04T14:46:38.286644Z",
"structure_string": "Cr5 Cu2 P6 O24\n1.0\n6.334047 0.000000 0.000000\n-1.601954 7.859293 0.000000\n-2.896920 -3.229528 8.297849\nCr Cu P O\n5 2 6 24\ndirect\n0.050044 0.213950 0.021604 Cr\n0.949956 0.786050 0.978396 Cr\n0.620082 0.039066 0.389892 Cr\n0.379918 0.960934 0.610108 Cr\n0.000000 0.500000 0.500000 Cr\n0.295859 0.327371 0.798225 Cu\n0.704141 0.672629 0.201775 Cu\n0.608041 0.261499 0.135711 P\n0.391959 0.738501 0.864289 P\n0.095719 0.101087 0.335574 P\n0.904281 0.898913 0.664426 P\n0.220309 0.644215 0.264328 P\n0.779691 0.355785 0.735672 P\n0.315521 0.046959 0.420055 O\n0.684479 0.953041 0.579945 O\n0.215341 0.692568 0.440618 O\n0.784659 0.307432 0.559382 O\n0.009519 0.687171 0.158010 O\n0.990481 0.312829 0.841990 O\n0.205049 0.446354 0.201620 O\n0.794951 0.553646 0.798380 O\n0.125764 0.300273 0.417041 O\n0.874236 0.699727 0.582959 O\n0.552835 0.129873 0.218790 O\n0.447165 0.870127 0.781210 O\n0.740853 0.457549 0.274360 O\n0.259147 0.542451 0.725640 O\n0.372159 0.256765 0.012654 O\n0.627841 0.743235 0.987346 O\n0.116839 0.024896 0.657064 O\n0.883161 0.975104 0.342936 O\n0.074319 0.052263 0.156460 O\n0.925681 0.947737 0.843540 O\n0.452764 0.763166 0.269984 O\n0.547236 0.236834 0.730016 O\n0.750861 0.211510 0.035971 O\n0.249139 0.788490 0.964029 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
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"Cu",
"P",
"O"
],
"chemical_system": "Cr-Cu-O-P",
"density": 3.846676533275621,
"density_atomic": 0.08957182750671754,
"volume": 413.07631015148314,
"volume_molar": 6.723253200955807,
"formula_full": "Cr5 Cu2 P6 O24",
"formula_reduced": "Cr5Cu2(PO4)6",
"formula_anonymous": "A2B5C6D24",
"energy": -297.29343115,
"energy_per_atom": -8.03495759864865,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.680000Z",
"spacegroup": 2
},
{
"id": "mp-756027",
"created_at": "2022-09-04T14:40:23.586304Z",
"structure_string": "Li4 Cr1 W3 O12\n1.0\n8.636721 0.000000 0.000000\n0.000000 5.022654 0.000000\n0.000000 0.033795 5.147254\nLi Cr W O\n4 1 3 12\ndirect\n0.299356 0.000000 0.000000 Li\n0.161244 0.500000 0.000000 Li\n0.692387 0.000000 0.500000 Li\n0.816080 0.500000 0.500000 Li\n0.903804 0.000000 0.000000 Cr\n0.392560 0.500000 0.500000 W\n0.604347 0.500000 0.000000 W\n0.074563 0.000000 0.500000 W\n0.741258 0.258013 0.849678 O\n0.417486 0.300379 0.822530 O\n0.075454 0.198799 0.820245 O\n0.572351 0.707133 0.685351 O\n0.913986 0.795898 0.669340 O\n0.236754 0.754717 0.638677 O\n0.236754 0.245283 0.361323 O\n0.913986 0.204102 0.330660 O\n0.572351 0.292867 0.314649 O\n0.075454 0.801201 0.179755 O\n0.417486 0.699621 0.177470 O\n0.741258 0.741987 0.150322 O\n",
"nsites": 20,
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"elements": [
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"Cr",
"W",
"O"
],
"chemical_system": "Cr-Li-O-W",
"density": 6.1225898265150445,
"density_atomic": 0.08957199432596273,
"volume": 223.284076127832,
"volume_molar": 6.7232406795418,
"formula_full": "Li4 Cr1 W3 O12",
"formula_reduced": "Li4Cr(WO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -161.44497471,
"energy_per_atom": -8.0722487355,
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"band_gap": 2.2378,
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"updated_at": "2021-11-28T01:34:52.784000Z",
"spacegroup": 3
},
{
"id": "mp-1326573",
"created_at": "2022-09-04T14:45:34.416659Z",
"structure_string": "Mg4 Cr4 O10\n1.0\n3.770443 0.000000 0.000000\n0.000000 5.044907 0.000000\n0.000000 0.000000 10.564474\nMg Cr O\n4 4 10\ndirect\n0.500000 0.257198 0.904016 Mg\n0.500000 0.742802 0.095984 Mg\n0.500000 0.757198 0.595984 Mg\n0.500000 0.242802 0.404016 Mg\n0.000000 0.235995 0.638362 Cr\n0.000000 0.764005 0.361638 Cr\n0.000000 0.264005 0.138362 Cr\n0.000000 0.735995 0.861638 Cr\n0.000000 0.500000 0.500000 O\n0.000000 0.146509 0.312346 O\n0.000000 0.646509 0.187654 O\n0.000000 0.353491 0.812346 O\n0.500000 0.311211 0.099662 O\n0.500000 0.688789 0.900338 O\n0.000000 0.853491 0.687654 O\n0.500000 0.188789 0.599662 O\n0.000000 0.000000 0.000000 O\n0.500000 0.811211 0.400338 O\n",
"nsites": 18,
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"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.844093007440043,
"density_atomic": 0.08957340469787568,
"volume": 200.95250438132433,
"volume_molar": 6.723134819215844,
"formula_full": "Mg4 Cr4 O10",
"formula_reduced": "Mg2Cr2O5",
"formula_anonymous": "A2B2C5",
"energy": -136.4579187,
"energy_per_atom": -7.580995483333333,
"energy_above_hull": null,
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"energy_uncorrected": -121.5919187,
"band_gap": 0.5762,
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"is_magnetic": true,
"total_magnetization": 12.0004322,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.307000Z",
"spacegroup": 55
},
{
"id": "mp-770554",
"created_at": "2022-09-04T14:41:10.622825Z",
"structure_string": "Mn3 Co3 Sn2 O16\n1.0\n2.869891 4.953092 0.000000\n-2.869891 4.953092 0.000000\n0.000000 0.172816 9.424489\nMn Co Sn O\n3 3 2 16\ndirect\n0.167412 0.167412 0.215405 Mn\n0.335142 0.832070 0.714845 Mn\n0.832070 0.335142 0.714845 Mn\n0.167175 0.664942 0.211480 Co\n0.664942 0.167175 0.211480 Co\n0.832664 0.832664 0.710551 Co\n0.334264 0.334264 0.489998 Sn\n0.667836 0.667836 0.992215 Sn\n0.155704 0.682210 0.606905 O\n0.482609 0.482609 0.321910 O\n0.334858 0.334858 0.109592 O\n0.997155 0.997155 0.313830 O\n0.997517 0.997517 0.814610 O\n0.682210 0.155704 0.606905 O\n0.032773 0.487653 0.328532 O\n0.487653 0.032773 0.328532 O\n0.842375 0.842375 0.111533 O\n0.158556 0.158556 0.603539 O\n0.521417 0.967203 0.827373 O\n0.967203 0.521417 0.827373 O\n0.667409 0.667409 0.608983 O\n0.315569 0.839455 0.106354 O\n0.515294 0.515294 0.832316 O\n0.839455 0.315569 0.106354 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"Sn",
"O"
],
"chemical_system": "Co-Mn-O-Sn",
"density": 5.175097224512714,
"density_atomic": 0.08957393166598607,
"volume": 267.9350962230178,
"volume_molar": 6.723095266663157,
"formula_full": "Mn3 Co3 Sn2 O16",
"formula_reduced": "Mn3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D16",
"energy": -173.14654425,
"energy_per_atom": -7.2144393437500005,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:19.005000Z",
"spacegroup": 8
},
{
"id": "mp-849538",
"created_at": "2022-09-04T14:47:55.325786Z",
"structure_string": "Mn6 O7 F5\n1.0\n-4.629760 -0.044787 -0.003479\n0.040140 4.644732 -6.221887\n-0.046820 -4.650779 -3.115589\nMn O F\n6 7 5\ndirect\n0.465906 0.011130 0.483605 Mn\n0.516265 0.666156 0.160090 Mn\n0.523430 0.335498 0.827091 Mn\n0.993463 0.676044 0.673112 Mn\n0.966875 0.324418 0.347089 Mn\n0.009182 0.982678 0.009237 Mn\n0.805986 0.450823 0.633638 O\n0.812224 0.767247 0.967058 O\n0.801885 0.091421 0.290279 O\n0.694594 0.433129 0.128873 O\n0.307424 0.238087 0.535487 O\n0.305179 0.890592 0.198897 O\n0.199652 0.897855 0.708891 O\n0.712432 0.090948 0.797545 F\n0.687348 0.779970 0.471388 F\n0.296582 0.565842 0.868664 F\n0.197389 0.573110 0.371215 F\n0.204182 0.225054 0.027841 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
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"density": 4.434330817573575,
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"volume": 200.9484657837441,
"volume_molar": 6.722999702531948,
"formula_full": "Mn6 O7 F5",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -138.95028105,
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"energy_above_hull": null,
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},
{
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"structure_string": "La2 Mg2 Cr4 O12\n1.0\n5.317453 0.000000 0.000000\n0.000000 5.418510 0.000000\n0.000000 0.000000 7.749206\nLa Mg Cr O\n2 2 4 12\ndirect\n0.004357 0.712696 0.000000 La\n0.504357 0.287304 0.500000 La\n0.482987 0.197275 0.000000 Mg\n0.982987 0.802725 0.500000 Mg\n0.496420 0.753975 0.249883 Cr\n0.996420 0.246025 0.749883 Cr\n0.496420 0.753975 0.750117 Cr\n0.996420 0.246025 0.250117 Cr\n0.077421 0.196144 0.500000 O\n0.214920 0.976547 0.803581 O\n0.214920 0.976547 0.196419 O\n0.305858 0.441059 0.808367 O\n0.305858 0.441059 0.191633 O\n0.374741 0.726940 0.500000 O\n0.577421 0.803856 0.000000 O\n0.714920 0.023453 0.303581 O\n0.714920 0.023453 0.696419 O\n0.805858 0.558941 0.308367 O\n0.805858 0.558941 0.691633 O\n0.874741 0.273060 0.000000 O\n",
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],
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"formula_full": "La2 Mg2 Cr4 O12",
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{
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"created_at": "2022-09-04T14:44:10.110119Z",
"structure_string": "Ca1 Zn1 C2 O6\n1.0\n5.622344 -2.433015 0.000000\n5.622344 2.433015 0.000000\n4.569480 0.000000 4.080461\nCa Zn C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Zn\n0.242541 0.242541 0.242541 C\n0.757459 0.757459 0.757459 C\n0.494747 0.964090 0.273567 O\n0.964090 0.273567 0.494747 O\n0.273567 0.494747 0.964090 O\n0.505253 0.035910 0.726433 O\n0.035910 0.726433 0.505253 O\n0.726433 0.505253 0.035910 O\n",
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],
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"volume": 111.63527012922435,
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"formula_full": "Ca1 Zn1 C2 O6",
"formula_reduced": "CaZn(CO3)2",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-768142",
"created_at": "2022-09-04T14:44:00.843160Z",
"structure_string": "Li13 Nb14 Zn1 O42\n1.0\n9.065656 0.000000 0.000000\n-1.511785 9.149735 0.000000\n-1.503750 -2.607027 9.420822\nLi Nb Zn O\n13 14 1 42\ndirect\n0.103174 0.691877 0.926234 Li\n0.745957 0.763920 0.711732 Li\n0.387999 0.833945 0.496835 Li\n0.031320 0.905631 0.282728 Li\n0.674413 0.976457 0.068865 Li\n0.817532 0.548422 0.354124 Li\n0.530775 0.406279 0.783260 Li\n0.174333 0.476734 0.568734 Li\n0.888762 0.334044 0.997683 Li\n0.459810 0.620461 0.139682 Li\n0.603582 0.191274 0.425771 Li\n0.315997 0.048387 0.854723 Li\n0.245324 0.262308 0.211290 Li\n0.356142 0.927723 0.214832 Nb\n0.710885 0.854149 0.428340 Nb\n0.069876 0.778779 0.643927 Nb\n0.428704 0.714715 0.858777 Nb\n0.854146 0.431703 0.719957 Nb\n0.498241 0.500080 0.501071 Nb\n0.785394 0.641543 0.072951 Nb\n0.218841 0.357904 0.932953 Nb\n0.142961 0.571938 0.286637 Nb\n0.639626 0.071754 0.792077 Nb\n0.572529 0.286222 0.147608 Nb\n0.290140 0.141652 0.572779 Nb\n0.928258 0.215204 0.357566 Nb\n0.999496 0.999428 0.001376 Nb\n0.959861 0.119356 0.641947 Zn\n0.127550 0.997027 0.652852 O\n0.758497 0.990271 0.650081 O\n0.881656 0.994920 0.403652 O\n0.595558 0.851988 0.828965 O\n0.254354 0.987875 0.397582 O\n0.968163 0.845299 0.826673 O\n0.266928 0.813931 0.810939 O\n0.552081 0.956325 0.382742 O\n0.873584 0.741744 0.525372 O\n0.587935 0.598504 0.953616 O\n0.158929 0.883815 0.096466 O\n0.560346 0.711371 0.509483 O\n0.845728 0.852635 0.080610 O\n0.272850 0.566994 0.937406 O\n0.898454 0.558239 0.932423 O\n0.183859 0.702800 0.504812 O\n0.468893 0.844631 0.076456 O\n0.024554 0.567723 0.686274 O\n0.310489 0.709511 0.259086 O\n0.681995 0.701431 0.254344 O\n0.397455 0.558743 0.683748 O\n0.694392 0.528698 0.667617 O\n0.980116 0.670258 0.239499 O\n0.301560 0.455350 0.381841 O\n0.016164 0.308732 0.809019 O\n0.702311 0.280545 0.791975 O\n0.987859 0.424704 0.366169 O\n0.611463 0.417128 0.362467 O\n0.325339 0.274074 0.790999 O\n0.453847 0.281958 0.544501 O\n0.738158 0.424249 0.115757 O\n0.166610 0.137846 0.973418 O\n0.827471 0.272116 0.541813 O\n0.540702 0.131562 0.968297 O\n0.110655 0.416529 0.112053 O\n0.408549 0.384538 0.095959 O\n0.837552 0.099093 0.953202 O\n0.123020 0.240564 0.526529 O\n0.729788 0.169295 0.238313 O\n0.442889 0.026608 0.667138 O\n0.416791 0.138037 0.222811 O\n0.040551 0.131269 0.220114 O\n",
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"formula_full": "Li13 Nb14 Zn1 O42",
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]
}