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=-energy_per_atom&page=11542",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=11540",
"results": [
{
"id": "mp-1225478",
"created_at": "2022-09-04T14:45:06.444814Z",
"structure_string": "Eu4 Mn2 Sb2 O14\n1.0\n-3.686689 3.699014 5.197875\n3.686689 -3.699014 5.197875\n3.686689 3.699014 -5.197875\nEu Mn Sb O\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.000000 0.500000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.827186 0.077186 0.750000 O\n0.425170 0.675170 0.750000 O\n0.824861 0.673682 0.749328 O\n0.424354 0.075533 0.750672 O\n0.824861 0.075533 0.151180 O\n0.424354 0.673682 0.348820 O\n0.172814 0.922814 0.250000 O\n0.574830 0.324830 0.250000 O\n0.175139 0.326318 0.250672 O\n0.575646 0.924467 0.249328 O\n0.175139 0.924467 0.848820 O\n0.575646 0.326318 0.651180 O\n0.875430 0.625430 0.250000 O\n0.124570 0.374570 0.750000 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Eu",
"Mn",
"Sb",
"O"
],
"chemical_system": "Eu-Mn-O-Sb",
"density": 6.9414220113575,
"density_atomic": 0.07759154150914477,
"volume": 283.5360604017273,
"volume_molar": 7.761336664886654,
"formula_full": "Eu4 Mn2 Sb2 O14",
"formula_reduced": "Eu2MnSbO7",
"formula_anonymous": "ABC2D7",
"energy": -194.62366429,
"energy_per_atom": -8.846530195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.66966429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9999535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.864000Z",
"spacegroup": 74
},
{
"id": "mp-1205519",
"created_at": "2022-09-04T14:47:07.903204Z",
"structure_string": "Ho2 Si2 Os4 C2\n1.0\n1.923964 -5.566087 0.000000\n1.923964 5.566087 0.000000\n0.000000 0.000000 7.133204\nHo Si Os C\n2 2 4 2\ndirect\n0.546742 0.453258 0.250000 Ho\n0.453258 0.546742 0.750000 Ho\n0.268757 0.731243 0.250000 Si\n0.731243 0.268757 0.750000 Si\n0.835204 0.164796 0.057798 Os\n0.164796 0.835204 0.942202 Os\n0.164796 0.835204 0.557798 Os\n0.835204 0.164796 0.442202 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ho",
"Si",
"Os",
"C"
],
"chemical_system": "C-Ho-Os-Si",
"density": 12.72724550967893,
"density_atomic": 0.06545433699553956,
"volume": 152.77826434452248,
"volume_molar": 9.200522129512034,
"formula_full": "Ho2 Si2 Os4 C2",
"formula_reduced": "HoSiOs2C",
"formula_anonymous": "ABCD2",
"energy": -88.46550107,
"energy_per_atom": -8.846550107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.46550107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.64e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.680000Z",
"spacegroup": 63
},
{
"id": "mp-695048",
"created_at": "2022-09-04T14:44:24.168535Z",
"structure_string": "Gd2 Ti4 Cd2 O12 F2\n1.0\n-3.567615 3.700777 5.100347\n3.567615 -3.700777 5.100347\n3.567615 3.700777 -5.100347\nGd Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.927909 0.584898 0.758744 O\n0.916118 0.166118 0.750000 O\n0.326154 0.584898 0.156989 O\n0.927909 0.169165 0.343011 O\n0.326468 0.576468 0.750000 O\n0.326154 0.169165 0.741256 O\n0.673532 0.423532 0.250000 O\n0.673846 0.830835 0.258744 O\n0.072091 0.830835 0.656989 O\n0.673846 0.415102 0.843011 O\n0.072091 0.415102 0.241256 O\n0.083882 0.833882 0.250000 O\n0.372651 0.122651 0.250000 F\n0.627349 0.877349 0.750000 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Gd",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-Gd-O-Ti",
"density": 5.923007199442623,
"density_atomic": 0.08167555001685706,
"volume": 269.35845544302316,
"volume_molar": 7.373247879882153,
"formula_full": "Gd2 Ti4 Cd2 O12 F2",
"formula_reduced": "GdTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy": -194.62461368000004,
"energy_per_atom": -8.84657334909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.45661368,
"band_gap": 1.3352000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9990118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.457000Z",
"spacegroup": 74
},
{
"id": "mp-16391",
"created_at": "2022-09-04T14:47:36.654938Z",
"structure_string": "Er16 Mo16 O44\n1.0\n5.702574 0.000000 0.000000\n0.000000 10.737962 0.000000\n0.000000 0.000000 15.933108\nEr Mo O\n16 16 44\ndirect\n0.000000 0.614912 0.577211 Er\n0.000000 0.385088 0.422789 Er\n0.000000 0.114912 0.922789 Er\n0.000000 0.885088 0.077211 Er\n0.000000 0.403408 0.736282 Er\n0.000000 0.596592 0.263718 Er\n0.000000 0.903408 0.763718 Er\n0.000000 0.096592 0.236282 Er\n0.500000 0.424016 0.598836 Er\n0.500000 0.575984 0.401164 Er\n0.500000 0.924016 0.901164 Er\n0.500000 0.075984 0.098836 Er\n0.500000 0.184421 0.776932 Er\n0.500000 0.815579 0.223068 Er\n0.500000 0.684421 0.723068 Er\n0.500000 0.315579 0.276932 Er\n0.000000 0.916291 0.560799 Mo\n0.000000 0.083709 0.439201 Mo\n0.000000 0.416291 0.939201 Mo\n0.000000 0.583709 0.060799 Mo\n0.500000 0.903785 0.571389 Mo\n0.500000 0.096215 0.428611 Mo\n0.500000 0.403785 0.928611 Mo\n0.500000 0.596215 0.071389 Mo\n0.274955 0.863692 0.414058 Mo\n0.274955 0.136308 0.585942 Mo\n0.725045 0.363692 0.085942 Mo\n0.725045 0.636308 0.914058 Mo\n0.725045 0.136308 0.585942 Mo\n0.725045 0.863692 0.414058 Mo\n0.274955 0.636308 0.914058 Mo\n0.274955 0.363692 0.085942 Mo\n0.245605 0.000000 0.000000 O\n0.754395 0.500000 0.500000 O\n0.754395 0.000000 0.000000 O\n0.245605 0.500000 0.500000 O\n0.000000 0.232898 0.522661 O\n0.000000 0.767102 0.477339 O\n0.000000 0.732898 0.977339 O\n0.000000 0.267102 0.022661 O\n0.000000 0.047950 0.655050 O\n0.000000 0.952050 0.344950 O\n0.000000 0.547950 0.844950 O\n0.000000 0.452050 0.155050 O\n0.500000 0.248649 0.513463 O\n0.500000 0.751351 0.486537 O\n0.500000 0.748649 0.986537 O\n0.500000 0.251351 0.013463 O\n0.500000 0.041203 0.667448 O\n0.500000 0.958797 0.332552 O\n0.762659 0.309889 0.859727 O\n0.500000 0.541203 0.832552 O\n0.247434 0.959876 0.172333 O\n0.247434 0.040124 0.827667 O\n0.752566 0.459876 0.327667 O\n0.752566 0.540124 0.672333 O\n0.752566 0.040124 0.827667 O\n0.752566 0.959876 0.172333 O\n0.247434 0.540124 0.672333 O\n0.247434 0.459876 0.327667 O\n0.237341 0.690111 0.140273 O\n0.237341 0.309889 0.859727 O\n0.762659 0.190111 0.359727 O\n0.762659 0.809889 0.640273 O\n0.264290 0.223017 0.175037 O\n0.264290 0.776983 0.824963 O\n0.735710 0.723017 0.324963 O\n0.735710 0.276983 0.675037 O\n0.735710 0.776983 0.824963 O\n0.735710 0.223017 0.175037 O\n0.264290 0.276983 0.675037 O\n0.264290 0.723017 0.324963 O\n0.237341 0.190111 0.359727 O\n0.237341 0.809889 0.640273 O\n0.762659 0.690111 0.140273 O\n0.500000 0.458797 0.167448 O\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Er",
"Mo",
"O"
],
"chemical_system": "Er-Mo-O",
"density": 8.365525989469946,
"density_atomic": 0.07789692245809442,
"volume": 975.6483003662322,
"volume_molar": 7.730909732973961,
"formula_full": "Er16 Mo16 O44",
"formula_reduced": "Er4Mo4O11",
"formula_anonymous": "A4B4C11",
"energy": -672.3431141300001,
"energy_per_atom": -8.846619922763159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -590.88311413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.694000Z",
"spacegroup": 55
},
{
"id": "mp-1516790",
"created_at": "2022-09-04T14:39:30.914658Z",
"structure_string": "Ba1 Ca1 Hf1 Zr1 O6\n1.0\n0.000000 -4.184060 -4.184060\n4.184060 0.000000 -4.184060\n4.184060 -4.184060 0.000000\nBa Ca Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751825 0.248175 0.248175 O\n0.248175 0.751825 0.751825 O\n0.751825 0.248175 0.751825 O\n0.248175 0.751825 0.248175 O\n0.751825 0.751825 0.248175 O\n0.248175 0.248175 0.751825 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Hf",
"Zr",
"O"
],
"chemical_system": "Ba-Ca-Hf-O-Zr",
"density": 6.15626786196733,
"density_atomic": 0.06826157320128184,
"volume": 146.4953052065348,
"volume_molar": 8.822153486329134,
"formula_full": "Ba1 Ca1 Hf1 Zr1 O6",
"formula_reduced": "BaCaHfZrO6",
"formula_anonymous": "ABCDE6",
"energy": -88.46815809,
"energy_per_atom": -8.846815809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.34615809,
"band_gap": 3.3163,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.713000Z",
"spacegroup": 216
},
{
"id": "mp-29041",
"created_at": "2022-09-04T14:39:09.534304Z",
"structure_string": "La11 V4 O26\n1.0\n7.116656 0.000000 0.000000\n3.554474 9.656782 0.000000\n3.303791 1.213677 9.751375\nLa V O\n11 4 26\ndirect\n0.177482 0.638710 0.660954 La\n0.278685 0.985099 0.405053 La\n0.822518 0.361290 0.339046 La\n0.721315 0.014901 0.594947 La\n0.123557 0.970044 0.807844 La\n0.876443 0.029956 0.192156 La\n0.018960 0.331173 0.953341 La\n0.981040 0.668827 0.046659 La\n0.590365 0.657169 0.842915 La\n0.409635 0.342831 0.157085 La\n0.500000 0.000000 0.000000 La\n0.599590 0.317380 0.805113 V\n0.400410 0.682620 0.194887 V\n0.723440 0.728221 0.457608 V\n0.276560 0.271779 0.542392 V\n0.863164 0.631372 0.323782 O\n0.136836 0.368628 0.676218 O\n0.395471 0.263673 0.937360 O\n0.604529 0.736327 0.062640 O\n0.324288 0.605721 0.086856 O\n0.675712 0.394279 0.913144 O\n0.175086 0.315543 0.399106 O\n0.824914 0.684457 0.600894 O\n0.230744 0.848603 0.247951 O\n0.769256 0.151397 0.752049 O\n0.534728 0.266662 0.498314 O\n0.465272 0.733338 0.501686 O\n0.763398 0.273512 0.167464 O\n0.236602 0.726488 0.832536 O\n0.516504 0.461454 0.690806 O\n0.136453 0.081574 0.989129 O\n0.863547 0.918426 0.010871 O\n0.301194 0.092147 0.594562 O\n0.698806 0.907853 0.405438 O\n0.049129 0.892497 0.615995 O\n0.483496 0.538546 0.309194 O\n0.054506 0.420112 0.132574 O\n0.945494 0.579888 0.867426 O\n0.516284 0.906293 0.801205 O\n0.483716 0.093707 0.198795 O\n0.950871 0.107503 0.384005 O\n",
"nsites": 41,
"nelements": 3,
"elements": [
"La",
"V",
"O"
],
"chemical_system": "La-O-V",
"density": 5.321702504784244,
"density_atomic": 0.061180017598318495,
"volume": 670.1534522135682,
"volume_molar": 9.843313219585466,
"formula_full": "La11 V4 O26",
"formula_reduced": "La11V4O26",
"formula_anonymous": "A4B11C26",
"energy": -362.7277613899999,
"energy_per_atom": -8.847018570487803,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.06576139,
"band_gap": 0.0301,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0002234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.964000Z",
"spacegroup": 2
},
{
"id": "mp-1516479",
"created_at": "2022-09-04T14:44:56.178683Z",
"structure_string": "Sr1 Nd1 Hf1 V1 O6\n1.0\n-0.000000 -4.032873 -4.032873\n4.032873 -0.000000 -4.032873\n4.032873 -4.032873 0.000000\nSr Nd Hf V O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Nd\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 V\n0.746626 0.253374 0.253374 O\n0.253374 0.746626 0.746626 O\n0.746626 0.253374 0.746626 O\n0.253374 0.746626 0.253374 O\n0.746626 0.746626 0.253374 O\n0.253374 0.253374 0.746626 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Hf",
"V",
"O"
],
"chemical_system": "Hf-Nd-O-Sr-V",
"density": 7.054344045675827,
"density_atomic": 0.07623007850529619,
"volume": 131.18181426646748,
"volume_molar": 7.8999535066484325,
"formula_full": "Sr1 Nd1 Hf1 V1 O6",
"formula_reduced": "SrNdHfVO6",
"formula_anonymous": "ABCDE6",
"energy": -88.47235178,
"energy_per_atom": -8.847235178,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.65035178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.456000Z",
"spacegroup": 216
},
{
"id": "mp-1233709",
"created_at": "2022-09-04T14:39:17.575739Z",
"structure_string": "Mg1 Ti3 V5 O16\n1.0\n5.910912 -0.006230 0.028784\n-2.966163 5.174248 -0.024172\n0.040121 0.001479 9.364312\nMg Ti V O\n1 3 5 16\ndirect\n0.664465 0.347497 0.394500 Mg\n0.150098 0.837886 0.208553 Ti\n0.178941 0.348525 0.202666 Ti\n0.309524 0.126090 0.723233 Ti\n0.326637 0.670472 0.499702 V\n0.670375 0.859832 0.215988 V\n0.672290 0.340850 0.984003 V\n0.838093 0.173810 0.710526 V\n0.793847 0.655788 0.726904 V\n0.143611 0.820379 0.612993 O\n0.038633 0.539377 0.341175 O\n0.332346 0.683613 0.109885 O\n0.006435 0.020628 0.315832 O\n0.985621 0.996672 0.820589 O\n0.146155 0.327228 0.611627 O\n0.489767 0.974045 0.341943 O\n0.475572 0.530346 0.341637 O\n0.338909 0.178018 0.111177 O\n0.648192 0.829108 0.613892 O\n0.512126 0.477708 0.841798 O\n0.516187 0.045046 0.835228 O\n0.650512 0.330727 0.603878 O\n0.823177 0.682120 0.115196 O\n0.941572 0.474245 0.839250 O\n0.836501 0.188521 0.114974 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"V",
"O"
],
"chemical_system": "Mg-O-Ti-V",
"density": 3.9369440984807538,
"density_atomic": 0.08734414705506285,
"volume": 286.2241013612473,
"volume_molar": 6.894727309207756,
"formula_full": "Mg1 Ti3 V5 O16",
"formula_reduced": "MgTi3V5O16",
"formula_anonymous": "AB3C5D16",
"energy": -221.1818423,
"energy_per_atom": -8.847273692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.6898423,
"band_gap": 0.7157,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9998745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.486000Z",
"spacegroup": 1
},
{
"id": "mp-1096912",
"created_at": "2022-09-04T14:47:02.945713Z",
"structure_string": "Cr14 N28\n1.0\n2.853985 13.767025 0.000000\n-2.853985 13.767025 0.000000\n0.000000 4.312586 12.297895\nCr N\n14 28\ndirect\n0.930174 0.930174 0.167687 Cr\n0.069826 0.069826 0.832313 Cr\n0.937667 0.937667 0.908138 Cr\n0.062333 0.062333 0.091862 Cr\n0.629724 0.629724 0.712354 Cr\n0.370276 0.370276 0.287646 Cr\n0.621683 0.621683 0.121412 Cr\n0.378317 0.378317 0.878588 Cr\n0.709533 0.709533 0.863364 Cr\n0.290467 0.290467 0.136636 Cr\n0.720876 0.720876 0.213777 Cr\n0.279124 0.279124 0.786223 Cr\n0.718984 0.718984 0.479043 Cr\n0.281016 0.281016 0.520957 Cr\n0.915428 0.915428 0.048464 N\n0.084572 0.084572 0.951536 N\n0.995195 0.995195 0.134528 N\n0.004805 0.004805 0.865472 N\n0.149661 0.659543 0.245538 N\n0.659543 0.149661 0.245538 N\n0.850339 0.340457 0.754462 N\n0.340457 0.850339 0.754462 N\n0.677416 0.677416 0.771346 N\n0.322584 0.322584 0.228654 N\n0.330424 0.838890 0.137958 N\n0.838890 0.330424 0.137958 N\n0.669576 0.161110 0.862042 N\n0.161110 0.669576 0.862042 N\n0.657285 0.657285 0.572427 N\n0.342715 0.342715 0.427573 N\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.000329 0.510004 0.150357 N\n0.510004 0.000329 0.150357 N\n0.999671 0.489996 0.849643 N\n0.489996 0.999671 0.849643 N\n0.659331 0.659331 0.204851 N\n0.340669 0.340669 0.795149 N\n0.662330 0.662330 0.991953 N\n0.337670 0.337670 0.008047 N\n0.716281 0.716281 0.347984 N\n0.283719 0.283719 0.652016 N\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 1.9247136481180498,
"density_atomic": 0.04346070097550505,
"volume": 966.3903033609993,
"volume_molar": 13.85652008556914,
"formula_full": "Cr14 N28",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -371.58837429,
"energy_per_atom": -8.847342245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -361.48037429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0106633,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.231000Z",
"spacegroup": 12
},
{
"id": "mp-20192",
"created_at": "2022-09-04T14:42:54.907150Z",
"structure_string": "Hf4 Mn4 Si4\n1.0\n3.675329 0.000000 0.000000\n0.000000 6.497742 0.000000\n0.000000 0.000000 7.576870\nHf Mn Si\n4 4 4\ndirect\n0.250000 0.972511 0.320973 Hf\n0.250000 0.472511 0.179027 Hf\n0.750000 0.027489 0.679027 Hf\n0.750000 0.527489 0.820973 Hf\n0.250000 0.357970 0.564375 Mn\n0.250000 0.857970 0.935625 Mn\n0.750000 0.642030 0.435625 Mn\n0.750000 0.142030 0.064375 Mn\n0.250000 0.726217 0.623823 Si\n0.250000 0.226217 0.876177 Si\n0.750000 0.273783 0.376177 Si\n0.750000 0.773783 0.123823 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Si"
],
"chemical_system": "Hf-Mn-Si",
"density": 9.599635789468616,
"density_atomic": 0.06631819929888345,
"volume": 180.94580562898417,
"volume_molar": 9.08067592857786,
"formula_full": "Hf4 Mn4 Si4",
"formula_reduced": "HfMnSi",
"formula_anonymous": "ABC",
"energy": -106.16811918,
"energy_per_atom": -8.847343265000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.45211918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8933244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.248000Z",
"spacegroup": 62
},
{
"id": "mp-559485",
"created_at": "2022-09-04T14:47:09.449493Z",
"structure_string": "V18 O34\n1.0\n5.559256 -0.013483 0.245823\n2.209852 6.716321 0.809139\n-0.766584 0.190507 14.709243\nV O\n18 34\ndirect\n0.325421 0.910599 0.729457 V\n0.674047 0.089013 0.270268 V\n0.743400 0.109888 0.842863 V\n0.256649 0.890058 0.157339 V\n0.342015 0.411118 0.725978 V\n0.657726 0.587943 0.274365 V\n0.916104 0.201340 0.618015 V\n0.084250 0.798277 0.381890 V\n0.249623 0.386844 0.162096 V\n0.749296 0.613029 0.838029 V\n0.809667 0.686106 0.044668 V\n0.190979 0.315426 0.955119 V\n0.929180 0.698649 0.610276 V\n0.071410 0.300699 0.389780 V\n0.807292 0.189770 0.041657 V\n0.193030 0.812163 0.958383 V\n0.500827 0.999646 0.499892 V\n0.500057 0.499641 0.500237 V\n0.151945 0.184224 0.096162 O\n0.848187 0.816948 0.904305 O\n0.973724 0.061239 0.750033 O\n0.025573 0.939065 0.249903 O\n0.202126 0.021343 0.419353 O\n0.798521 0.978345 0.580355 O\n0.209392 0.525826 0.024104 O\n0.791486 0.474929 0.975538 O\n0.705068 0.972691 0.391869 O\n0.295611 0.026374 0.608183 O\n0.550035 0.369668 0.628124 O\n0.450382 0.629946 0.372122 O\n0.791834 0.302515 0.307069 O\n0.208212 0.696748 0.693114 O\n0.629818 0.394629 0.806717 O\n0.368892 0.605487 0.193593 O\n0.146728 0.667304 0.508952 O\n0.853573 0.332678 0.491129 O\n0.461007 0.819875 0.047714 O\n0.539024 0.181915 0.952379 O\n0.034933 0.117993 0.930374 O\n0.964395 0.884512 0.069492 O\n0.448860 0.122551 0.771986 O\n0.551269 0.876570 0.228197 O\n0.392601 0.771845 0.853478 O\n0.606443 0.226849 0.146584 O\n0.030789 0.424723 0.652868 O\n0.969883 0.574770 0.346539 O\n0.376036 0.290985 0.466507 O\n0.624410 0.708547 0.533631 O\n0.301846 0.260035 0.275496 O\n0.698520 0.740282 0.724946 O\n0.114361 0.452443 0.837583 O\n0.883542 0.545933 0.161286 O\n",
"nsites": 52,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 4.409420404356642,
"density_atomic": 0.09451644034819237,
"volume": 550.1688363255685,
"volume_molar": 6.3715272579191815,
"formula_full": "V18 O34",
"formula_reduced": "V9O17",
"formula_anonymous": "A9B17",
"energy": -460.06991295,
"energy_per_atom": -8.847498325961539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -406.11191295,
"band_gap": 0.2140999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.000068,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.500000Z",
"spacegroup": 2
},
{
"id": "mp-10144",
"created_at": "2022-09-04T14:39:40.537155Z",
"structure_string": "B2 W1\n1.0\n1.511193 -2.617464 0.000000\n1.511193 2.617464 0.000000\n0.000000 0.000000 3.382029\nB W\n2 1\ndirect\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 12.751833555707151,
"density_atomic": 0.11212779489214245,
"volume": 26.75518592767965,
"volume_molar": 5.370783190548601,
"formula_full": "B2 W1",
"formula_reduced": "B2W",
"formula_anonymous": "AB2",
"energy": -26.54321239,
"energy_per_atom": -8.847737463333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.54321239,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.780000Z",
"spacegroup": 191
}
]
}