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{
"id": "jvasp-106473",
"created_at": "2022-09-04T14:36:52.663398Z",
"updated_at": "2022-09-04T14:36:52.663423Z",
"structure_string": "K2 Li2 Sn2 O4\n1.0\n5.656887 -0.019755 3.912280\n4.672638 3.188608 3.912280\n-0.211811 -0.064979 9.726802\nK Li Sn O\n2 2 2 4\ndirect\n0.487193 0.487191 0.716108 K\n0.512809 0.512807 0.283892 K\n0.239200 0.239199 0.423181 Li\n0.760802 0.760800 0.576818 Li\n0.188660 0.188659 0.850592 Sn\n0.811342 0.811340 0.149408 Sn\n0.833316 0.833314 0.342371 O\n0.186144 0.186143 0.269178 O\n0.813858 0.813855 0.730822 O\n0.166686 0.166685 0.657628 O\n",
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{
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"structure_string": "Rb2 Ag1 As1 Br6\n1.0\n6.651834 -0.000000 3.840438\n2.217278 6.271410 3.840438\n0.000000 -0.000000 7.680877\nRb Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754718 0.245282 0.245282 Br\n0.245282 0.245282 0.754718 Br\n0.245282 0.754718 0.754719 Br\n0.245282 0.754718 0.245282 Br\n0.754718 0.245282 0.754719 Br\n0.754718 0.754718 0.245282 Br\n",
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{
"id": "jvasp-101382",
"created_at": "2022-09-04T14:36:42.923685Z",
"updated_at": "2022-09-04T14:36:42.923711Z",
"structure_string": "Rb2 Li1 Ce1 Cl6\n1.0\n6.420403 0.000000 3.706822\n2.140134 6.053215 3.706822\n0.000000 0.000000 7.413644\nRb Li Ce Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.740208 0.259792 0.259792 Cl\n0.259791 0.259792 0.740208 Cl\n0.259791 0.740208 0.740208 Cl\n0.259791 0.740208 0.259792 Cl\n0.740208 0.259792 0.740208 Cl\n0.740208 0.740208 0.259792 Cl\n",
"nsites": 10,
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"volume": 288.1244516218226,
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"formula_full": "Rb2 Li1 Ce1 Cl6",
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{
"id": "jvasp-106206",
"created_at": "2022-09-04T14:36:52.666287Z",
"updated_at": "2022-09-04T14:36:52.666310Z",
"structure_string": "K2 In1 Ag1 I6\n1.0\n7.209311 -0.000000 4.162298\n2.403104 6.797004 4.162298\n-0.000000 -0.000000 8.324596\nK In Ag I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500001 Ag\n0.749864 0.250135 0.250136 I\n0.250135 0.250135 0.749865 I\n0.250135 0.749864 0.749866 I\n0.250135 0.749864 0.250136 I\n0.749864 0.250135 0.749865 I\n0.749864 0.749864 0.250136 I\n",
"nsites": 10,
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"elements": [
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],
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"density": 4.324399012602104,
"density_atomic": 0.02451464156494647,
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{
"id": "jvasp-106441",
"created_at": "2022-09-04T14:36:56.418072Z",
"updated_at": "2022-09-04T14:36:56.418097Z",
"structure_string": "Rb2 Sb1 Au1 F6\n1.0\n5.666889 -0.000000 3.271780\n1.888963 5.342794 3.271780\n-0.000000 -0.000000 6.543559\nRb Sb Au F\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Au\n0.764730 0.235270 0.235270 F\n0.235270 0.235270 0.764730 F\n0.235270 0.764730 0.764731 F\n0.235270 0.764730 0.235270 F\n0.764730 0.235270 0.764730 F\n0.764730 0.764730 0.235270 F\n",
"nsites": 10,
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{
"id": "jvasp-106633",
"created_at": "2022-09-04T14:36:56.458797Z",
"updated_at": "2022-09-04T14:36:56.458817Z",
"structure_string": "Dy2 Si2 Os4 C2\n1.0\n5.913976 -0.003850 0.000000\n-4.648241 3.656362 0.000000\n0.000000 0.000000 7.125788\nDy Si Os C\n2 2 4 2\ndirect\n0.547632 0.452368 0.250000 Dy\n0.452369 0.547631 0.750000 Dy\n0.269191 0.730809 0.250000 Si\n0.730810 0.269191 0.750000 Si\n0.835122 0.164879 0.057263 Os\n0.164879 0.835121 0.942737 Os\n0.164879 0.835121 0.557263 Os\n0.835122 0.164879 0.442737 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"volume": 153.95793270988008,
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"formula_full": "Dy2 Si2 Os4 C2",
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{
"id": "jvasp-103886",
"created_at": "2022-09-04T14:36:56.410173Z",
"updated_at": "2022-09-04T14:36:56.410193Z",
"structure_string": "Ti1 H6 C4 O4\n1.0\n4.932412 0.094216 -1.962445\n-1.130246 4.716674 -2.607193\n0.127970 0.210108 6.133743\nTi H C O\n1 6 4 4\ndirect\n0.522916 0.007834 0.251904 Ti\n0.873149 0.175562 0.728960 H\n-0.011366 0.874432 0.540331 H\n0.043751 0.187881 0.524713 H\n0.057335 0.585720 0.963244 H\n0.002120 0.914733 0.978942 H\n0.172805 0.698670 0.774700 H\n0.905878 0.056930 0.544820 C\n0.140047 0.763866 0.958812 C\n0.464551 0.548865 0.358202 C\n0.581284 0.442715 0.145589 C\n0.419538 0.370620 0.430948 O\n0.421443 0.790669 0.440573 O\n0.626311 0.191843 0.072866 O\n0.624380 0.602253 0.063202 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 1.8661130916858046,
"density_atomic": 0.10157566515690918,
"volume": 147.67316538689386,
"volume_molar": 5.928723922897564,
"formula_full": "Ti1 H6 C4 O4",
"formula_reduced": "TiH6(CO)4",
"formula_anonymous": "AB4C4D6",
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{
"id": "jvasp-104496",
"created_at": "2022-09-04T14:36:59.241166Z",
"updated_at": "2022-09-04T14:36:59.241181Z",
"structure_string": "Rb2 Hg1 Bi1 I6\n1.0\n7.535893 -0.000000 4.350850\n2.511964 7.104908 4.350850\n-0.000000 -0.000000 8.701700\nRb Hg Bi I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Bi\n0.750213 0.249787 0.249787 I\n0.249787 0.249787 0.750213 I\n0.249786 0.750213 0.750213 I\n0.249786 0.750213 0.249787 I\n0.750213 0.249787 0.750213 I\n0.750212 0.750213 0.249787 I\n",
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{
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"created_at": "2022-09-04T14:36:59.413795Z",
"updated_at": "2022-09-04T14:36:59.413815Z",
"structure_string": "Mo1 W1 Se2 S2\n1.0\n3.256182 -0.000037 0.000804\n-1.628116 2.819934 -0.000348\n-0.003781 -0.000236 12.984440\nMo W Se S\n1 1 2 2\ndirect\n0.332939 0.666950 0.050994 Mo\n0.667058 0.333046 0.550873 W\n0.666248 0.333618 0.920159 Se\n0.666291 0.333617 0.181828 Se\n0.333747 0.666378 0.670566 S\n0.333707 0.666380 0.431182 S\n",
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{
"id": "jvasp-52861",
"created_at": "2022-09-04T14:36:59.349962Z",
"updated_at": "2022-09-04T14:36:59.349975Z",
"structure_string": "H4 Pb4 Cl4 O4\n1.0\n4.039183 0.000000 0.000000\n-0.000000 7.105200 0.000000\n0.000000 0.000000 9.786385\nH Pb Cl O\n4 4 4 4\ndirect\n0.250000 0.720610 0.616838 H\n0.250000 0.220610 0.883163 H\n0.749999 0.279390 0.383163 H\n0.749999 0.779390 0.116838 H\n0.250000 0.294857 0.589448 Pb\n0.250000 0.794857 0.910552 Pb\n0.749999 0.705143 0.410552 Pb\n0.749999 0.205143 0.089448 Pb\n0.250000 0.056418 0.322155 Cl\n0.250000 0.556418 0.177845 Cl\n0.749999 0.943582 0.677845 Cl\n0.749999 0.443582 0.822156 Cl\n0.250000 0.630289 0.541145 O\n0.250000 0.130289 0.958856 O\n0.749999 0.369711 0.458856 O\n0.749999 0.869711 0.041145 O\n",
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{
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"created_at": "2022-09-04T14:36:48.378140Z",
"updated_at": "2022-09-04T14:36:48.378167Z",
"structure_string": "Na2 Ir1 Au1 F6\n1.0\n5.368918 -0.000000 3.099747\n1.789640 5.061865 3.099747\n-0.000000 -0.000000 6.199493\nNa Ir Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.749999 0.750000 Na\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Au\n0.232197 0.232196 0.767803 F\n0.232197 0.767803 0.767804 F\n0.767804 0.767803 0.232197 F\n0.232197 0.767803 0.232197 F\n0.767804 0.232196 0.767803 F\n0.767804 0.232196 0.232197 F\n",
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{
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"created_at": "2022-09-04T14:36:42.978413Z",
"updated_at": "2022-09-04T14:36:42.978448Z",
"structure_string": "Li2 Ti2 Sb2 O1\n1.0\n3.940672 -0.018035 -6.869871\n-0.295373 3.929629 -6.869871\n0.016807 0.018035 7.919832\nLi Ti Sb O\n2 2 2 1\ndirect\n0.668158 0.668159 0.000001 Li\n0.331842 0.331843 0.000001 Li\n0.500000 0.000000 0.500000 Ti\n0.000001 0.500000 0.500000 Ti\n0.859920 0.859921 0.000002 Sb\n0.140080 0.140081 0.000000 Sb\n0.500000 0.500001 0.000001 O\n",
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]
}